4QUI
 
 | | Caspase-3 F128AV266H | | 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 (1.758 Å) | | Cite: | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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4QUA
 | | Caspase-3 Y195F | | 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 (1.892 Å) | | Cite: | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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4QUB
 | | Caspase-3 K137A | | 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 (1.689 Å) | | Cite: | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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4PRY
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1PAU
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1NME
 | | Structure of Casp-3 with tethered salicylate | | Descriptor: | 2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID, 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3 | | Authors: | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, B, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T. | | Deposit date: | 2003-01-09 | | Release date: | 2003-03-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
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1NMS
 | | Caspase-3 tethered to irreversible inhibitor | | Descriptor: | 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID, Caspase-3 | | Authors: | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W.L, Choong, I.C, Flanagan, W.M, Lee, D, O'Brian, T. | | Deposit date: | 2003-01-10 | | Release date: | 2003-03-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
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1NMQ
 | | Extendend Tethering: In Situ Assembly of Inhibitors | | Descriptor: | 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3 | | Authors: | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T. | | Deposit date: | 2003-01-10 | | Release date: | 2003-03-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
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1QTN
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1QX3
 | | Conformational restrictions in the active site of unliganded human caspase-3 | | Descriptor: | Apopain | | Authors: | Ni, C.-Z, Li, C, Wu, J.C, Spada, A.P, Ely, K.R. | | Deposit date: | 2003-09-04 | | Release date: | 2003-10-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Conformational restrictions in the active site of unliganded human caspase-3
J.MOL.RECOG., 16, 2003
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1RE1
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1RHK
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1RHM
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1RWK
 | | Crystal structure of human caspase-1 in complex with 3-(2-mercapto-acetylamino)-4-oxo-pentanoic acid | | Descriptor: | 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Interleukin-1 beta convertase | | Authors: | Romanowski, M.J, Lam, J.W, Fahr, B.T, O'Brien, T. | | Deposit date: | 2003-12-16 | | Release date: | 2004-12-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
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1RHR
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1RHJ
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1PYO
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1RHU
 | | CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A 5,6,7 TRICYCLIC PEPTIDOMIMETIC INHIBITOR | | Descriptor: | (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID, Caspase-3 | | Authors: | Becker, J.W, Rotonda, J, Soisson, S.M. | | Deposit date: | 2003-11-14 | | Release date: | 2004-05-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
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1QDU
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1RHQ
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1RWN
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1RWV
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1RWM
 | | Crystal structure of human caspase-1 in complex with 4-oxo-3-[2-(5-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-thiophen-2-yl)-acetylamino]-pentanoic acid | | Descriptor: | 4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID, Interleukin-1 beta convertase | | Authors: | Romanowski, M.J, Waal, N.D, Fahr, B.T, O'Brien, T. | | Deposit date: | 2003-12-16 | | Release date: | 2004-12-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
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1RWW
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6H4A
 | | Human MALT1(329-728) in complex with MLT-748 | | Descriptor: | 1-[2-chloranyl-7-[(1~{R},2~{R})-1,2-dimethoxypropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloranyl-6-(1,2,3-triazol-2-yl)pyridin-3-yl]urea, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | | Authors: | Renatus, M, Renatus, M. | | Deposit date: | 2018-07-20 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | An allosteric MALT1 inhibitor is a molecular corrector rescuing function in an immunodeficient patient.
Nat. Chem. Biol., 15, 2019
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