References
|
[1]
|
Resource
|
|
Comments
|
X-RAY CRYSTALLOGRAPHY (3.0 ANGSTROMS).
|
Medline ID
|
77148881
|
PubMed ID
|
322132
|
Journal
|
Proc Natl Acad Sci U S A
|
Year
|
1977
|
Volume
|
74
|
Pages
|
556-9
|
Authors
|
Subramanian E, Swan ID, Liu M, Davies DR, Jenkins JA, Tickle IJ, Blundell TL
|
Title
|
Homology among acid proteases: comparison of crystal structures at 3A resolution of acid proteases from Rhizopus chinensis and Endothia parasitica.
|
Related PDB
|
|
Related UniProtKB
|
P11838
|
[2]
|
Resource
|
|
Comments
|
X-ray crystallography
|
Medline ID
|
|
PubMed ID
|
6381096
|
Journal
|
FEBS Lett
|
Year
|
1984
|
Volume
|
174
|
Pages
|
96-101
|
Authors
|
Pearl L, Blundell T
|
Title
|
The active site of aspartic proteinases.
|
Related PDB
|
1er8
3er3
3er5
4ape
4er1
4er2
|
Related UniProtKB
|
|
[3]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
3912234
|
Journal
|
Biochem Soc Trans
|
Year
|
1985
|
Volume
|
13
|
Pages
|
1036-41
|
Authors
|
Hemmings AM, Foundling SI, Sibanda BL, Wood SP, Pearl LH, Blundell T
|
Title
|
Energy calculations on aspartic proteinases: human renin, endothiapepsin and its complex with an angiotensinogen fragment analogue, H-142.
|
Related PDB
|
|
Related UniProtKB
|
|
[4]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
3109484
|
Journal
|
Biochim Biophys Acta
|
Year
|
1987
|
Volume
|
913
|
Pages
|
122-30
|
Authors
|
Dunn BM, Valler MJ, Rolph CE, Foundling SI, Jimenez M, Kay J
|
Title
|
The pH dependence of the hydrolysis of chromogenic substrates of the type, Lys-Pro-Xaa-Yaa-Phe-(NO2)Phe-Arg-Leu, by selected aspartic proteinases: evidence for specific interactions in subsites S3 and S2.
|
Related PDB
|
|
Related UniProtKB
|
|
[5]
|
Resource
|
|
Comments
|
X-ray crystallography
|
Medline ID
|
|
PubMed ID
|
3119339
|
Journal
|
Eur J Biochem
|
Year
|
1987
|
Volume
|
169
|
Pages
|
215-21
|
Authors
|
Cooper J, Foundling S, Hemmings A, Blundell T, Jones DM, Hallett A, Szelke M
|
Title
|
The structure of a synthetic pepsin inhibitor complexed with endothiapepsin.
|
Related PDB
|
2er6
|
Related UniProtKB
|
|
[6]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
3552727
|
Journal
|
FEBS Lett
|
Year
|
1987
|
Volume
|
214
|
Pages
|
8-12
|
Authors
|
Pearl LH
|
Title
|
The catalytic mechanism of aspartic proteinases.
|
Related PDB
|
|
Related UniProtKB
|
|
[7]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
2485065
|
Journal
|
J Cardiovasc Pharmacol
|
Year
|
1987
|
Volume
|
10 Suppl 7
|
Pages
|
S59-68
|
Authors
|
Foundling SI, Cooper J, Watson FE, Pearl LH, Hemmings A, Wood SP, Blundell T, Hallett A, Jones DM, Sueiras J, et al
|
Title
|
Crystallographic studies of reduced bond inhibitors complexed with an aspartic proteinase.
|
Related PDB
|
|
Related UniProtKB
|
|
[8]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
3546346
|
Journal
|
J Cell Biochem
|
Year
|
1987
|
Volume
|
33
|
Pages
|
53-63
|
Authors
|
Tang J, Wong RN
|
Title
|
Evolution in the structure and function of aspartic proteases.
|
Related PDB
|
|
Related UniProtKB
|
|
[9]
|
Resource
|
|
Comments
|
X-ray crystallography
|
Medline ID
|
|
PubMed ID
|
3295561
|
Journal
|
Nature
|
Year
|
1987
|
Volume
|
327
|
Pages
|
349-52
|
Authors
|
Foundling SI, Cooper J, Watson FE, Cleasby A, Pearl LH, Sibanda BL, Hemmings A, Wood SP, Blundell TL, Valler MJ, et al
|
Title
|
High resolution X-ray analyses of renin inhibitor-aspartic proteinase complexes.
|
Related PDB
|
4er4
|
Related UniProtKB
|
|
[10]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
3284587
|
Journal
|
Biochemistry
|
Year
|
1988
|
Volume
|
27
|
Pages
|
1653-8
|
Authors
|
Goldblum A
|
Title
|
Theoretical calculations on the acidity of the active site in aspartic proteinases.
|
Related PDB
|
|
Related UniProtKB
|
|
[11]
|
Resource
|
|
Comments
|
X-ray crystallography
|
Medline ID
|
|
PubMed ID
|
|
Journal
|
Topics in Medicinal Chemistry
|
Year
|
1988
|
Volume
|
(Publisher:Royal Society Of Chemistry)
|
Pages
|
308-13
|
Authors
|
Cooper, J. B., Foundling, S. I., Blundell, T. L., Arrowsmith, R. J., Harris, C. J., Champness, J. N
|
Title
|
A Rational Approach to the Design of Antihypertensives. X-Ray Studies of Complexes between Aspartic Proteinases and Aminoalcohol Renin Inhibitors.
|
Related PDB
|
5er1
|
Related UniProtKB
|
|
[12]
|
Resource
|
|
Comments
|
X-ray crystallography
|
Medline ID
|
|
PubMed ID
|
2690945
|
Journal
|
Biochemistry
|
Year
|
1989
|
Volume
|
28
|
Pages
|
8596-603
|
Authors
|
Cooper JB, Foundling SI, Blundell TL, Boger J, Jupp RA, Kay J
|
Title
|
X-ray studies of aspartic proteinase-statine inhibitor complexes.
|
Related PDB
|
2er0
2er9
|
Related UniProtKB
|
|
[13]
|
Resource
|
|
Comments
|
X-RAY CRYSTALLOGRAPHY (1.8 ANGSTROMS).
|
Medline ID
|
90005421
|
PubMed ID
|
2676515
|
Journal
|
EMBO J
|
Year
|
1989
|
Volume
|
8
|
Pages
|
2179-88
|
Authors
|
Sali A, Veerapandian B, Cooper JB, Foundling SI, Hoover DJ, Blundell TL
|
Title
|
High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor: the analysis of the inhibitor binding and description of the rigid body shift in the enzyme.
|
Related PDB
|
5er2
|
Related UniProtKB
|
P11838
|
[14]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
2548525
|
Journal
|
J Protein Chem
|
Year
|
1989
|
Volume
|
8
|
Pages
|
87-100
|
Authors
|
Chen J, Barber A, Pedersen J, Brandt-Rauf PW, Carucci J, Murphy RB, Carty RP, Licht D, Pincus MR
|
Title
|
Comparative X-ray crystallographic evidence for a beta-bend conformation as the active structure for peptide T in T4 receptor recognition.
|
Related PDB
|
|
Related UniProtKB
|
|
[15]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
2107098
|
Journal
|
FEBS Lett
|
Year
|
1990
|
Volume
|
261
|
Pages
|
241-4
|
Authors
|
Goldblum A
|
Title
|
Modulation of the affinity of aspartic proteases by the mutated residues in active site models.
|
Related PDB
|
|
Related UniProtKB
|
|
[16]
|
Resource
|
|
Comments
|
X-RAY CRYSTALLOGRAPHY (2.1 ANGSTROMS).
|
Medline ID
|
90189152
|
PubMed ID
|
2179568
|
Journal
|
J Mol Biol
|
Year
|
1990
|
Volume
|
211
|
Pages
|
919-41
|
Authors
|
Blundell TL, Jenkins JA, Sewell BT, Pearl LH, Cooper JB, Tickle IJ, Veerapandian B, Wood SP
|
Title
|
X-ray analyses of aspartic proteinases. The three-dimensional structure at 2.1 A resolution of endothiapepsin.
|
Related PDB
|
1ent
|
Related UniProtKB
|
P11838
|
[17]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
2115087
|
Journal
|
J Mol Biol
|
Year
|
1990
|
Volume
|
214
|
Pages
|
143-70
|
Authors
|
Sielecki AR, Fedorov AA, Boodhoo A, Andreeva NS, James MN
|
Title
|
Molecular and crystal structures of monoclinic porcine pepsin refined at 1.8 A resolution.
|
Related PDB
|
|
Related UniProtKB
|
|
[18]
|
Resource
|
|
Comments
|
X-ray crystallography
|
Medline ID
|
|
PubMed ID
|
2266553
|
Journal
|
J Mol Biol
|
Year
|
1990
|
Volume
|
216
|
Pages
|
1017-29
|
Authors
|
Veerapandian B, Cooper JB, Sali A, Blundell TL
|
Title
|
X-ray analyses of aspartic proteinases. III Three-dimensional structure of endothiapepsin complexed with a transition-state isostere inhibitor of renin at 1.6 A resolution.
|
Related PDB
|
2er7
|
Related UniProtKB
|
|
[19]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
2217165
|
Journal
|
Proteins
|
Year
|
1990
|
Volume
|
8
|
Pages
|
62-81
|
Authors
|
Abad-Zapatero C, Rydel TJ, Erickson J
|
Title
|
Revised 2.3 A structure of porcine pepsin: evidence for a flexible subdomain.
|
Related PDB
|
|
Related UniProtKB
|
|
[20]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
1812716
|
Journal
|
Adv Exp Med Biol
|
Year
|
1991
|
Volume
|
306
|
Pages
|
269-73
|
Authors
|
Hoover DJ, Veerapandian B, Cooper JB, Damon DB, Dominy BW, Rosati RL, Blundell TL
|
Title
|
X-ray analysis of a difluorostatone renin inhibitor bound as the tetrahedral hydrate to the aspartic protease endothiapepsin.
|
Related PDB
|
|
Related UniProtKB
|
|
[21]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
2001389
|
Journal
|
Biochim Biophys Acta
|
Year
|
1991
|
Volume
|
1076
|
Pages
|
406-15
|
Authors
|
Brown ED, Yada RY
|
Title
|
A kinetic and equilibrium study of the denaturation of aspartic proteinases from the fungi, Endothia parasitica and Mucor miehei.
|
Related PDB
|
|
Related UniProtKB
|
|
[22]
|
Resource
|
|
Comments
|
X-ray crystallography
|
Medline ID
|
|
PubMed ID
|
1525155
|
Journal
|
Biochemistry
|
Year
|
1992
|
Volume
|
31
|
Pages
|
8142-50
|
Authors
|
Cooper J, Quail W, Frazao C, Foundling SI, Blundell TL, Humblet C, Lunney EA, Lowther WT, Dunn BM
|
Title
|
X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors.
|
Related PDB
|
1eed
|
Related UniProtKB
|
|
[23]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
1525154
|
Journal
|
Biochemistry
|
Year
|
1992
|
Volume
|
31
|
Pages
|
8125-41
|
Authors
|
Parris KD, Hoover DJ, Damon DB, Davies DR
|
Title
|
Synthesis and crystallographic analysis of two rhizopuspepsin inhibitor complexes.
|
Related PDB
|
|
Related UniProtKB
|
|
[24]
|
Resource
|
|
Comments
|
X-ray crystallography
|
Medline ID
|
|
PubMed ID
|
1304340
|
Journal
|
Protein Sci
|
Year
|
1992
|
Volume
|
1
|
Pages
|
322-8
|
Authors
|
Veerapandian B, Cooper JB, Sali A, Blundell TL, Rosati RL, Dominy BW, Damon DB, Hoover DJ
|
Title
|
Direct observation by X-ray analysis of the tetrahedral "intermediate" of aspartic proteinases.
|
Related PDB
|
1epo
|
Related UniProtKB
|
|
[25]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
1603805
|
Journal
|
Proteins
|
Year
|
1992
|
Volume
|
12
|
Pages
|
158-70
|
Authors
|
Sali A, Veerapandian B, Cooper JB, Moss DS, Hofmann T, Blundell TL
|
Title
|
Domain flexibility in aspartic proteinases.
|
Related PDB
|
|
Related UniProtKB
|
|
[26]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
8215428
|
Journal
|
Arch Biochem Biophys
|
Year
|
1993
|
Volume
|
306
|
Pages
|
297-303
|
Authors
|
Balbaa M, Cunningham A, Hofmann T
|
Title
|
Secondary substrate binding in aspartic proteinases: contributions of subsites S3 and S'2 to kcat.
|
Related PDB
|
|
Related UniProtKB
|
|
[27]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
8424781
|
Journal
|
Biochem J
|
Year
|
1993
|
Volume
|
289
|
Pages
|
363-71
|
Authors
|
Bailey D, Cooper JB, Veerapandian B, Blundell TL, Atrash B, Jones DM, Szelke M
|
Title
|
X-ray-crystallographic studies of complexes of pepstatin A and a statine-containing human renin inhibitor with endothiapepsin.
|
Related PDB
|
|
Related UniProtKB
|
|
[28]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
8461297
|
Journal
|
Biochemistry
|
Year
|
1993
|
Volume
|
32
|
Pages
|
3325-33
|
Authors
|
Beveridge AJ, Heywood GC
|
Title
|
A quantum mechanical study of the active site of aspartic proteinases.
|
Related PDB
|
|
Related UniProtKB
|
|
[29]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
8391019
|
Journal
|
J Chem Inf Comput Sci
|
Year
|
1993
|
Volume
|
33
|
Pages
|
270-4
|
Authors
|
Goldblum A, Rayan A, Fliess A, Glick M
|
Title
|
Extending crystallographic information with semiempirical quantum mechanics and molecular mechanics: a case of aspartic proteinases.
|
Related PDB
|
|
Related UniProtKB
|
|
[30]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
8380615
|
Journal
|
J Med Chem
|
Year
|
1993
|
Volume
|
36
|
Pages
|
70-80
|
Authors
|
Klebe G, Abraham U
|
Title
|
On the prediction of binding properties of drug molecules by comparative molecular field analysis.
|
Related PDB
|
|
Related UniProtKB
|
|
[31]
|
Resource
|
|
Comments
|
X-ray crystallography
|
Medline ID
|
|
PubMed ID
|
8254610
|
Journal
|
J Med Chem
|
Year
|
1993
|
Volume
|
36
|
Pages
|
3809-20
|
Authors
|
Lunney EA, Hamilton HW, Hodges JC, Kaltenbronn JS, Repine JT, Badasso M, Cooper JB, Dealwis C, Wallace BA, Lowther WT, et al
|
Title
|
Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors.
|
Related PDB
|
1epp
1epq
|
Related UniProtKB
|
|
[32]
|
Resource
|
|
Comments
|
X-ray crystallography
|
Medline ID
|
|
PubMed ID
|
7703859
|
Journal
|
Protein Sci
|
Year
|
1994
|
Volume
|
3
|
Pages
|
2129-43
|
Authors
|
Bailey D, Cooper JB
|
Title
|
A structural comparison of 21 inhibitor complexes of the aspartic proteinase from Endothia parasitica.
|
Related PDB
|
1epl
1epm
1epn
1epr
|
Related UniProtKB
|
|
[33]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
7563055
|
Journal
|
J Mol Biol
|
Year
|
1995
|
Volume
|
252
|
Pages
|
337-50
|
Authors
|
Gomez J, Freire E
|
Title
|
Thermodynamic mapping of the inhibitor site of the aspartic protease endothiapepsin.
|
Related PDB
|
|
Related UniProtKB
|
|
[34]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
8778779
|
Journal
|
Proteins
|
Year
|
1996
|
Volume
|
24
|
Pages
|
322-34
|
Authors
|
Beveridge A
|
Title
|
A theoretical study of torsional flexibility in the active site of aspartic proteinases: implications for catalysis.
|
Related PDB
|
|
Related UniProtKB
|
|
[35]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
9135120
|
Journal
|
J Mol Biol
|
Year
|
1997
|
Volume
|
267
|
Pages
|
899-915
|
Authors
|
Aguilar CF, Cronin NB, Badasso M, Dreyer T, Newman MP, Cooper JB, Hoover DJ, Wood SP, Johnson MS, Blundell TL
|
Title
|
The three-dimensional structure at 2.4 A resolution of glycosylated proteinase A from the lysosome-like vacuole of Saccharomyces cerevisiae.
|
Related PDB
|
|
Related UniProtKB
|
|
[36]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
9542997
|
Journal
|
Protein Eng
|
Year
|
1997
|
Volume
|
10
|
Pages
|
1363-72
|
Authors
|
Muegge I, Tao H, Warshel A
|
Title
|
A fast estimate of electrostatic group contributions to the free energy of protein-inhibitor binding.
|
Related PDB
|
|
Related UniProtKB
|
|
[37]
|
Resource
|
|
Comments
|
X-ray crystallography (Ph D Thesis 1999 London University Birkbeck College)
|
Medline ID
|
|
PubMed ID
|
|
Journal
|
Crystallographic Studies
|
Year
|
1999
|
Volume
|
|
Pages
|
237 leaves
|
Authors
|
Read JA
|
Title
|
Refinement of Four Endothiapepsin Inhibitor Complexes. Crystallographic Studies of Cytochrome Ch from Methylobacterium Extorquens and Inhibitor Complexes of Aspartic Proteinases.
|
Related PDB
|
1e5o
1e80
1e81
1e82
|
Related UniProtKB
|
|
[38]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
10842341
|
Journal
|
Proteins
|
Year
|
2000
|
Volume
|
40
|
Pages
|
258-89
|
Authors
|
Stultz CM, Karplus M
|
Title
|
Dynamic ligand design and combinatorial optimization: designing inhibitors to endothiapepsin.
|
Related PDB
|
|
Related UniProtKB
|
|
[39]
|
Resource
|
|
Comments
|
Neutron diffraction
|
Medline ID
|
|
PubMed ID
|
11683623
|
Journal
|
Biochemistry
|
Year
|
2001
|
Volume
|
40
|
Pages
|
13149-57
|
Authors
|
Coates L, Erskine PT, Wood SP, Myles DA, Cooper JB
|
Title
|
A neutron Laue diffraction study of endothiapepsin: implications for the aspartic proteinase mechanism.
|
Related PDB
|
1gkt
|
Related UniProtKB
|
|
[40]
|
Resource
|
|
Comments
|
X-ray crystallography
|
Medline ID
|
|
PubMed ID
|
12083527
|
Journal
|
J Mol Biol
|
Year
|
2002
|
Volume
|
318
|
Pages
|
1405-15
|
Authors
|
Coates L, Erskine PT, Crump MP, Wood SP, Cooper JB
|
Title
|
Five atomic resolution structures of endothiapepsin inhibitor complexes: implications for the aspartic proteinase mechanism.
|
Related PDB
|
1gvt
1gvu
1gvv
1gvw
1gvx
|
Related UniProtKB
|
|
[41]
|
Resource
|
|
Comments
|
X-ray crystallography
|
Medline ID
|
|
PubMed ID
|
12777758
|
Journal
|
Acta Crystallogr D Biol Crystallogr
|
Year
|
2003
|
Volume
|
59
|
Pages
|
978-81
|
Authors
|
Coates L, Erskine PT, Mall S, Williams PA, Gill RS, Wood SP, Cooper JB
|
Title
|
The structure of endothiapepsin complexed with the gem-diol inhibitor PD-135,040 at 1.37 A.
|
Related PDB
|
1od1
|
Related UniProtKB
|
|
[42]
|
Resource
|
|
Comments
|
X-ray crystallography
|
Medline ID
|
|
PubMed ID
|
12876323
|
Journal
|
Protein Sci
|
Year
|
2003
|
Volume
|
12
|
Pages
|
1741-9
|
Authors
|
Erskine PT, Coates L, Mall S, Gill RS, Wood SP, Myles DA, Cooper JB
|
Title
|
Atomic resolution analysis of the catalytic site of an aspartic proteinase and an unexpected mode of binding by short peptides.
|
Related PDB
|
1oew
1oex
|
Related UniProtKB
|
|
[43]
|
Resource
|
|
Comments
|
|
Medline ID
|
|
PubMed ID
|
15229889
|
Journal
|
Proteins
|
Year
|
2004
|
Volume
|
56
|
Pages
|
572-84
|
Authors
|
Alexov E
|
Title
|
Calculating proton uptake/release and binding free energy taking into account ionization and conformation changes induced by protein-inhibitor association: application to plasmepsin, cathepsin D and endothiapepsin-pepstatin complexes.
|
Related PDB
|
|
Related UniProtKB
|
|