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6T2X
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BU of 6t2x by Molmil
3C-like protease from Southampton virus complexed with FMOPL000004a.
Descriptor: 1-(3-chlorophenyl)-N-methylmethanamine, Genome polyprotein, PHOSPHATE ION
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-10
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TAL
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BU of 6tal by Molmil
3C-like protease from Southampton virus complexed with FMOPL000227a.
Descriptor: 5-ethyl-1,3,4-thiadiazol-2-amine, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-29
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
3URI
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BU of 3uri by Molmil
Endothiapepsin-DB5 complex.
Descriptor: DB5 peptide, Endothiapepsin
Authors:Bailey, D, Sanz-Aparicio, J, Albert, A, Cooper, J.B.
Deposit date:2011-11-22
Release date:2012-04-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An analysis of subdomain orientation, conformational change and disorder in relation to crystal packing of aspartic proteinases.
Acta Crystallogr.,Sect.D, 68, 2012
3URL
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BU of 3url by Molmil
Endothiapepsin-DB6 complex.
Descriptor: DB6 peptide, Endothiapepsin, SULFATE ION
Authors:Bailey, D, Sanz-Aparicio, J, Albert, A, Cooper, J.B.
Deposit date:2011-11-22
Release date:2012-04-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:An analysis of subdomain orientation, conformational change and disorder in relation to crystal packing of aspartic proteinases.
Acta Crystallogr.,Sect.D, 68, 2012
6TBO
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BU of 6tbo by Molmil
3C-like protease from Southampton virus complexed with FMOPL000363a.
Descriptor: DIMETHYL SULFOXIDE, Genome polyprotein, PHOSPHATE ION, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-11-02
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TBP
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BU of 6tbp by Molmil
3C-like protease from Southampton virus complexed with FMOPL000490a.
Descriptor: DIMETHYL SULFOXIDE, Genome polyprotein, ~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-11-03
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T71
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BU of 6t71 by Molmil
3C-like protease from Southampton virus complexed with XST00000375b.
Descriptor: 2-(1-benzofuran-3-yl)ethanoic acid, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-20
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TAW
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BU of 6taw by Molmil
3C-like protease from Southampton virus complexed with FMOPL000411a.
Descriptor: Genome polyprotein, PHOSPHATE ION, ~{N}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-30
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
3UTL
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BU of 3utl by Molmil
Human pepsin 3b
Descriptor: Pepsin A
Authors:Coker, A, Cooper, J.B.
Deposit date:2011-11-25
Release date:2011-12-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:An analysis of subdomain orientation, conformational change and disorder in relation to crystal packing of aspartic proteinases.
Acta Crystallogr.,Sect.D, 68, 2012
1DPJ
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BU of 1dpj by Molmil
THE STRUCTURE OF PROTEINASE A COMPLEXED WITH IA3 PEPTIDE INHIBITOR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEINASE A, PROTEINASE INHIBITOR IA3 PEPTIDE, ...
Authors:Li, M, Phylip, H.L, Lees, W.E, Winther, J.R, Dunn, B.M, Wlodawer, A, Kay, J, Guschina, A.
Deposit date:1999-12-27
Release date:2000-05-03
Last modified:2021-07-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The aspartic proteinase from Saccharomyces cerevisiae folds its own inhibitor into a helix.
Nat.Struct.Biol., 7, 2000
1DP5
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BU of 1dp5 by Molmil
THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT INHIBITOR
Descriptor: PROTEINASE A, PROTEINASE INHIBITOR IA3, beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Li, M, Phylip, H.L, Lees, W.E, Winther, J.R, Dunn, B.M, Wlodawer, A, Kay, J, Guschina, A.
Deposit date:1999-12-23
Release date:2000-05-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The aspartic proteinase from Saccharomyces cerevisiae folds its own inhibitor into a helix.
Nat.Struct.Biol., 7, 2000
1BBS
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BU of 1bbs by Molmil
X-RAY ANALYSES OF PEPTIDE INHIBITOR COMPLEXES DEFINE THE STRUCTURAL BASIS OF SPECIFICITY FOR HUMAN AND MOUSE RENINS
Descriptor: RENIN
Authors:Dhanaraj, V, Blundell, T.L.
Deposit date:1992-05-21
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray analyses of peptide-inhibitor complexes define the structural basis of specificity for human and mouse renins.
Nature, 357, 1992
1ER8
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BU of 1er8 by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
Descriptor: Endothiapepsin, H-77
Authors:Hemmings, A.M, Veerapandian, B, Szelke, M, Cooper, J.B, Blundell, T.L.
Deposit date:1989-10-16
Release date:1991-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
6KTH
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BU of 6kth by Molmil
Crystal structure of Juvenile hormone diol kinase JHDK-L2 from silkworm, Bombyx mori
Descriptor: CALCIUM ION, GLYCEROL, Juvenile hormone diol kinase
Authors:Zhang, Y.S, Xu, H.Y, Wang, Z, Zhang, L, Zhao, P, Guo, P.C.
Deposit date:2019-08-28
Release date:2020-09-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Structural characterization and functional analysis of juvenile hormone diol kinase from the silkworm, Bombyx mori.
Int.J.Biol.Macromol., 167, 2021
1E51
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BU of 1e51 by Molmil
Crystal structure of native human erythrocyte 5-aminolaevulinic acid dehydratase
Descriptor: 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, SULFATE ION, ...
Authors:Mills-Davies, N.L, Thompson, D, Cooper, J.B, Shoolingin-Jordan, P.M.
Deposit date:2000-07-13
Release date:2001-07-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:The Crystal Structure of Human Ala-Dehydratase
To be Published
1ENT
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BU of 1ent by Molmil
X-RAY ANALYSES OF ASPARTIC PROTEINASES. THE THREE-DIMENSIONAL STRUCTURE AT 2.1 ANGSTROMS RESOLUTION OF ENDOTHIAPEPSIN
Descriptor: ENDOTHIAPEPSIN, N-(tert-butoxycarbonyl)-L-phenylalanyl-N-{(1S)-1-[(R)-hydroxy(2-{[(2S)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION
Authors:Blundell, T.L, Dealwis, C.G.
Deposit date:1992-03-11
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray analyses of aspartic proteinases. The three-dimensional structure at 2.1 A resolution of endothiapepsin.
J.Mol.Biol., 211, 1990
1QNV
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BU of 1qnv by Molmil
yeast 5-aminolaevulinic acid dehydratase Lead (Pb) complex
Descriptor: 5-AMINOLAEVULINIC ACID DEHYDRATASE, LEAD (II) ION
Authors:Erskine, P.T, Senior, N.M, Warren, M.J, Wood, S.P, Cooper, J.B.
Deposit date:1999-10-21
Release date:2000-10-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:MAD Analyses of Yeast 5-Aminolaevulinic Acid Dehydratase. Their Use in Structure Determination and in Defining the Metal Binding Sites
Acta Crystallogr.,Sect.D, 56, 2000
1QML
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BU of 1qml by Molmil
Hg complex of yeast 5-aminolaevulinic acid dehydratase
Descriptor: 5-AMINOLAEVULINIC ACID DEHYDRATASE, MERCURY (II) ION
Authors:Erskine, P.T, Senior, N, Warren, M.J, Wood, S.P, Cooper, J.B.
Deposit date:1999-10-02
Release date:2000-10-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:MAD Analyses of Yeast 5-Aminolaevulinic Acid Dehydratase. Their Use in Structure Determination and in Defining the Metal Binding Sites
Acta Crystallogr.,Sect.D, 56, 2000
1EPO
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BU of 1epo by Molmil
ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH CP-81,282 (MOR PHE NLE CHF NME)
Descriptor: ENDOTHIAPEPSIN, N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide
Authors:Veerapandian, B, Cooper, J.B, Blundell, T.L.
Deposit date:1994-07-27
Release date:1994-12-20
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Direct observation by X-ray analysis of the tetrahedral intermediate of aspartic proteinases.
Protein Sci., 1, 1992
1EPP
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BU of 1epp by Molmil
ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-130,693 (MAS PHE LYS+MTF STA MBA)
Descriptor: ENDOTHIAPEPSIN, N-(dimethylsulfamoyl)-L-phenylalanyl-N-[(1S,2S)-2-hydroxy-4-{[(2S)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-N~6~-(methylcarbamothioyl)-L-lysinamide, SULFATE ION
Authors:Wallace, B.A, Cooper, J.B, Blundell, T.L.
Deposit date:1994-07-27
Release date:1994-12-20
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors.
J.Med.Chem., 36, 1993
1EPR
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BU of 1epr by Molmil
ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-135,040
Descriptor: ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
Authors:Badasso, M, Crawford, M, Cooper, J.B, Blundell, T.L.
Deposit date:1994-07-27
Release date:1994-12-20
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural comparison of 21 inhibitor complexes of the aspartic proteinase from Endothia parasitica.
Protein Sci., 3, 1994
1EPQ
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BU of 1epq by Molmil
ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-133,450 (SOT PHE GLY+SCC GCL)
Descriptor: ENDOTHIAPEPSIN, N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morpholin-4-ylsulfonyl)-L-phenylalaninamide, SULFATE ION
Authors:Dealwis, C, Cooper, J.B, Blundell, T.L.
Deposit date:1994-07-27
Release date:1994-12-20
Last modified:2020-05-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors.
J.Med.Chem., 36, 1993
1FQ8
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BU of 1fq8 by Molmil
X-RAY STRUCTURE OF DIFLUOROSTATINE INHIBITOR CP81,198 BOUND TO SACCHAROPEPSIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-pentan-2-yl]amino]-1-oxo-hexan-2 -yl]amino]-1-oxo-3-phenyl-propan-2-yl]morpholine-4-carboxamide, SACCHAROPEPSIN, ...
Authors:Cronin, N.B, Badasso, M.O, Tickle, I.J, Dreyer, T, Hoover, D.J, Rosati, R.L, Humblet, C.C, Lunney, E.A, Cooper, J.B.
Deposit date:2000-09-04
Release date:2000-09-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity.
J.Mol.Biol., 303, 2000
1FQ4
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BU of 1fq4 by Molmil
CRYSTAL STRUCTURE OF A COMPLEX BETWEEN HYDROXYETHYLENE INHIBITOR CP-108,420 AND YEAST ASPARTIC PROTEINASE A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(2R)-1-{[(2S,3R,5R)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfa nyl)-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide, SACCHAROPEPSIN, ...
Authors:Cronin, N.B, Badasso, M.O, Tickle, I.J, Dreyer, T, Hoover, D.J, Rosati, R.L, Humblet, C.C, Lunney, E.A, Cooper, J.B.
Deposit date:2000-09-03
Release date:2000-09-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity.
J.Mol.Biol., 303, 2000
1FQ5
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BU of 1fq5 by Molmil
X-ray structure of a cyclic statine inhibitor PD-129,541 bound to yeast proteinase A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(5S,9S,10S,13S)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide, SACCHAROPEPSIN, ...
Authors:Cronin, N.B, Badasso, M.O, Tickle, I.J, Dreyer, T, Hoover, D.J, Rosati, R.L, Humblet, C.C, Lunney, E.A, Cooper, J.B.
Deposit date:2000-09-03
Release date:2000-09-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity.
J.Mol.Biol., 303, 2000

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數據於2024-10-16公開中

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