3KJF
| Caspase 3 Bound to a covalent inhibitor | Descriptor: | (3S)-3-({[(5S,10aS)-2-{(2S)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1H-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid, Caspase-3 | Authors: | Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. | Deposit date: | 2009-11-03 | Release date: | 2010-08-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors. Biochim.Biophys.Acta, 1804, 2010
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7XN6
| Cryo-EM structure of CopC-CaM-caspase-3 with ADPR-deacylization | Descriptor: | Arginine ADP-riboxanase CopC, Calmodulin-1, Caspase-3, ... | Authors: | Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S. | Deposit date: | 2022-04-28 | Release date: | 2022-12-14 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin. Mol.Cell, 82, 2022
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1I3O
| CRYSTAL STRUCTURE OF THE COMPLEX OF XIAP-BIR2 AND CASPASE 3 | Descriptor: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4, CASPASE 3, ZINC ION | Authors: | Riedl, S.J, Renatus, M, Schwarzenbacher, R, Zhou, Q, Sun, C, Fesik, S.W, Liddington, R.C, Salvesen, G.S. | Deposit date: | 2001-02-15 | Release date: | 2001-03-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for the inhibition of caspase-3 by XIAP. Cell(Cambridge,Mass.), 104, 2001
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4DCP
| Crystal Structure of caspase 3, L168F mutant | Descriptor: | Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | Chung, S.J, Kang, H.J, Kim, S.J. | Deposit date: | 2012-01-18 | Release date: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular insight into the role of the leucine residue on the L2 loop in the catalytic activity of caspases 3 and 7 Biosci.Rep., 32, 2012
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4DCO
| Crystal Structure of caspase 3, L168Y mutant | Descriptor: | Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | Chung, S.J, Kang, H.J, Kim, S.J. | Deposit date: | 2012-01-18 | Release date: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular insight into the role of the leucine residue on the L2 loop in the catalytic activity of caspases 3 and 7 Biosci.Rep., 32, 2012
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7RND
| Crystal structure of caspase-3 with inhibitor Ac-VDPVD-CHO | Descriptor: | Ac-VDPVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | McCue, W, Finzel, B.C. | Deposit date: | 2021-07-29 | Release date: | 2022-01-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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7RN8
| Crystal structure of caspase-3 with inhibitor Ac-VD(Orn)VD-CHO | Descriptor: | Ac-VD(Orn)VD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | McCue, W, Finzel, B.C. | Deposit date: | 2021-07-29 | Release date: | 2022-01-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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6X8I
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6X8K
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1CP3
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1GFW
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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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3PD0
| Caspase-3 E246A | Descriptor: | CHLORIDE ION, Caspase-3, INHIBITOR AC-DEVD-CMK | Authors: | Walters, J, Swartz, P, Mattos, C, Clark, A.C. | Deposit date: | 2010-10-22 | Release date: | 2011-02-16 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3. Arch.Biochem.Biophys., 508, 2011
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3PCX
| Caspase-3 E246A, K242A Double Mutant | Descriptor: | Caspase-3, Inhibitor Ac-DEVD-CMK | Authors: | Walters, J, Swartz, P, Mattos, C, Clark, A.C. | Deposit date: | 2010-10-22 | Release date: | 2011-02-23 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3. Arch.Biochem.Biophys., 508, 2011
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3PD1
| Caspase-3 K242A | Descriptor: | Caspase-3, Inhibitor Ac-DEVD-CMK | Authors: | Walters, J, Swartz, P, Mattos, C, Clark, A.C. | Deposit date: | 2010-10-22 | Release date: | 2011-02-23 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3. Arch.Biochem.Biophys., 508, 2011
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4JJE
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4JQZ
| Human procaspase-3, crystal form 2 | Descriptor: | Procaspase-3 | Authors: | Thomsen, N.D, Wells, J.A. | Deposit date: | 2013-03-20 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.889 Å) | Cite: | Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation. Proc.Natl.Acad.Sci.USA, 110, 2013
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4JR0
| Human procaspase-3 bound to Ac-DEVD-CMK | Descriptor: | Ac-DEVD-CMK, CHLORIDE ION, Procaspase-3 | Authors: | Thomsen, N.D, Wells, J.A. | Deposit date: | 2013-03-20 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation. Proc.Natl.Acad.Sci.USA, 110, 2013
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4JQY
| Human procaspase-3, crystal form 1 | Descriptor: | Procaspase-3 | Authors: | Thomsen, N.D, Wells, J.A. | Deposit date: | 2013-03-20 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.495 Å) | Cite: | Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation. Proc.Natl.Acad.Sci.USA, 110, 2013
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4PS0
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4PRY
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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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