1QL7
 
 | | FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN | | Descriptor: | CALCIUM ION, SULFATE ION, TRYPSIN, ... | | Authors: | Stubbs, M.T. | | Deposit date: | 1999-08-24 | | Release date: | 2000-08-25 | | Last modified: | 2017-07-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ph-Dependent Binding Modes Observed in Trypsin Crystals: Lessons for the Structure-Based Drug Design
Chembiochem, 3, 2002
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3DPF
 | | Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor | | Descriptor: | ACETOHYDROXAMIC ACID, CALCIUM ION, N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide, ... | | Authors: | Pochetti, G, Montanari, R, Mazza, F. | | Deposit date: | 2008-07-08 | | Release date: | 2009-03-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
J.Med.Chem., 52, 2009
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4QTX
 | | Caspase-3 Y195A | | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, ACETATE ION, Caspase-3 | | Authors: | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | | Deposit date: | 2014-07-09 | | Release date: | 2014-11-05 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.974 Å) | | Cite: | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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1NS3
 | | STRUCTURE OF HCV PROTEASE (BK STRAIN) | | Descriptor: | NS3 PROTEASE, NS4A PEPTIDE, ZINC ION | | Authors: | Yan, Y, Munshi, S, Chen, Z. | | Deposit date: | 1997-04-05 | | Release date: | 1998-04-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Complex of NS3 protease and NS4A peptide of BK strain hepatitis C virus: a 2.2 A resolution structure in a hexagonal crystal form.
Protein Sci., 7, 1998
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3G42
 | | Crystal Structure of TACE with Tryptophan Sulfonamide Derivative Inhibitor | | Descriptor: | ADAM 17, N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan, ZINC ION | | Authors: | Xu, W, Park, K, Gopalsamy, A, Aplasca, A, Zhang, Y.H, Levin, J.I. | | Deposit date: | 2009-02-03 | | Release date: | 2009-05-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Synthesis and activity of tryptophan sulfonamide derivatives as novel non-hydroxamate TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem., 17, 2009
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3T1G
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4QUD
 | | Caspase-3 T140F | | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 | | Authors: | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | | Deposit date: | 2014-07-10 | | Release date: | 2014-11-05 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.995 Å) | | Cite: | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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1QJ7
 | | Novel Covalent Active Site Thrombin Inhibitors | | Descriptor: | 6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL-PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID, HIRUGEN, THROMBIN | | Authors: | Jhoti, H, Cleasby, A. | | Deposit date: | 1999-06-22 | | Release date: | 2000-06-22 | | Last modified: | 2018-05-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template
Biochemistry, 38, 1999
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3S9B
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3S9C
 | | Russell's viper venom serine proteinase, RVV-V in complex with the fragment (residues 1533-1546) of human factor V | | Descriptor: | ACETATE ION, Coagulation factor V, Vipera russelli proteinase RVV-V gamma, ... | | Authors: | Nakayama, D, Ben Ammar, Y, Takeda, S. | | Deposit date: | 2011-06-01 | | Release date: | 2011-09-07 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of coagulation factor V recognition for cleavage by RVV-V
Febs Lett., 585, 2011
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3SJ8
 | | Crystal structure of the 3C protease from coxsackievirus A16 | | Descriptor: | 3C protease | | Authors: | Lu, G, Qi, J, Chen, Z, Xu, X, Gao, F, Lin, D, Qian, W, Liu, H, Jiang, H, Yan, J, Gao, G.F. | | Deposit date: | 2011-06-21 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
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3SJO
 | | structure of EV71 3C in complex with Rupintrivir (AG7088) | | Descriptor: | 3C protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | Authors: | Lu, G, Qi, J, Chen, Z, Xu, X, Gao, F, Lin, D, Qian, W, Liu, H, Jiang, H, Yan, J, Gao, G.F. | | Deposit date: | 2011-06-21 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
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3SJK
 | | Crystal structure of the C147A mutant 3C from enterovirus 71 | | Descriptor: | 3C protease, KPVLRTATVQGPSLDF peptide | | Authors: | Lu, G, Qi, J, Chen, Z, Xu, X, Gao, F, Lin, D, Qian, W, Liu, H, Jiang, H, Yan, J, Gao, G.F. | | Deposit date: | 2011-06-21 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
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4QU8
 | | Caspase-3 M61A V266H | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CHLORIDE ION, ... | | Authors: | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | | Deposit date: | 2014-07-10 | | Release date: | 2014-11-05 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.715 Å) | | Cite: | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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4QUH
 | | Caspase-3 T140G | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, ... | | Authors: | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | | Deposit date: | 2014-07-10 | | Release date: | 2014-11-05 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.759 Å) | | Cite: | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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4QLS
 | | yCP in complex with tripeptidic epoxyketone inhibitor 11 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-O-methyl-L-tyrosinamide, ... | | Authors: | De Bruin, G, Huber, E, Xin, B, Van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, Van der Marel, G, Groll, M, Overkleeft, H. | | Deposit date: | 2014-06-13 | | Release date: | 2014-07-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
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4QUG
 | | Caspase-3 M61A | | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, ACETATE ION, AZIDE ION, ... | | Authors: | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | | Deposit date: | 2014-07-10 | | Release date: | 2014-11-05 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.917 Å) | | Cite: | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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4QUL
 | | Caspase-3 F55W | | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3 | | Authors: | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | | Deposit date: | 2014-07-10 | | Release date: | 2014-11-05 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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3UR6
 | | 1.5A resolution structure of apo Norwalk Virus Protease | | Descriptor: | 3C-like protease | | Authors: | Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.O. | | Deposit date: | 2011-11-21 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
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1NST
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4QU0
 | | Caspase-3 Y195AV266H | | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3 | | Authors: | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | | Deposit date: | 2014-07-10 | | Release date: | 2014-11-05 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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4QUE
 | | Caspase-3 Y195FV266H | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, ... | | Authors: | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | | Deposit date: | 2014-07-10 | | Release date: | 2014-11-05 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.843 Å) | | Cite: | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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1AWF
 | | NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT | | Descriptor: | ALPHA THROMBIN, HIRUGEN, R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-12,16-DIHYDROXY-14-HYDROXYMETHYL-4,10,13-TRIMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID IDOPYRANOSYL ESTER | | Authors: | Jhoti, H, Cleasby, A, Wonacott, A. | | Deposit date: | 1997-10-02 | | Release date: | 1998-10-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies.
Biochemistry, 37, 1998
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3FVL
 | | Crystallogic studies on the Complex of Carboxypeptidase A with inhibitors using alpha-hydroxy ketone as zinc-binding group | | Descriptor: | (2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid, Carboxypeptidase A1, ZINC ION | | Authors: | Wang, S.F, Jin, J.-Y, Tian, G.R. | | Deposit date: | 2009-01-16 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Optical 2-benzyl-5-hydroxy4oxopentanoic acids against carboxypeptidase A: Synthesis, kinetic evaluation and X-ray crystallographic study
CHIN.CHEM.LETT., 21, 2010
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3FX6
 | | X-RAY crystallographic studies on the complex of carboxypeptidase A with the inhibitor using alpha-nitro ketone as the zinc-binding group | | Descriptor: | (2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid, Carboxypeptidase A1, ZINC ION | | Authors: | Wang, S.F, Jin, J.Y, Tian, G.R. | | Deposit date: | 2009-01-20 | | Release date: | 2009-08-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Characterization of alpha-nitromethyl ketone as a new zinc-binding group based on structural analysis of its complex with carboxypeptidase A
Bioorg.Med.Chem.Lett., 19, 2009
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