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2QLB
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BU of 2qlb by Molmil
Crystal Structure of caspase-7 with inhibitor AC-ESMD-CHO
Descriptor: CITRIC ACID, Caspase-7, Inhibitor AC-ESMD-CHO, ...
Authors:Agniswamy, J, Fang, B, Weber, I.
Deposit date:2007-07-12
Release date:2007-08-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
1GFW
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BU of 1gfw by Molmil
THE 2.8 ANGSTROM CRYSTAL STRUCTURE OF CASPASE-3 (APOPAIN OR CPP32)IN COMPLEX WITH AN ISATIN SULFONAMIDE INHIBITOR.
Descriptor: 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE, CASPASE-3 (APOPAIN, P10), ...
Authors:Concha, N.O, Janson, C.A.
Deposit date:2000-06-16
Release date:2000-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Potent and selective nonpeptide inhibitors of caspases 3 and 7 inhibit apoptosis and maintain cell functionality.
J.Biol.Chem., 275, 2000
1GQF
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BU of 1gqf by Molmil
Crystal structure of human procaspase-7
Descriptor: Caspase-7, SULFATE ION
Authors:Riedl, S, Bode, W, Fuentes-Prior, P.
Deposit date:2001-11-23
Release date:2002-01-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the activation of human procaspase-7.
Proc. Natl. Acad. Sci. U.S.A., 98, 2001
7USQ
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BU of 7usq by Molmil
Crystal Structure of Caspase-3 with Peptide Inhibitor AcDVPD-CHO
Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcDVPD-CHO
Authors:Fuller, J.L, Finzel, B.C.
Deposit date:2022-04-25
Release date:2022-06-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
7USO
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BU of 7uso by Molmil
Crystal Structure of Caspase-3 with Peptide Inhibitor AcITVKD-CHO
Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcITVKD-CHO
Authors:Fuller, J.L, Finzel, B.C.
Deposit date:2022-04-25
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
7USP
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BU of 7usp by Molmil
Crystal Structure of Caspase-3 with Peptide Inhibitor AcITV(Orn)D-CHO
Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcITV(Orn)D-CHO
Authors:Fuller, J.L, Finzel, B.C.
Deposit date:2022-04-25
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
8WRA
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BU of 8wra by Molmil
The Crystal Structure of CASP1 from Biortus
Descriptor: 1,2-ETHANEDIOL, Caspase-1
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Guo, S.
Deposit date:2023-10-13
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Crystal Structure of CASP1 from Biortus.
To Be Published
4F6P
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BU of 4f6p by Molmil
Crystal structure of the yeast metacaspase Yca1 C276A mutant
Descriptor: 1,1-diphenylethanol, Metacaspase-1
Authors:Wong, A.H, Yan, C.Y, Shi, Y.G.
Deposit date:2012-05-15
Release date:2013-03-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.619 Å)
Cite:Crystal structure of the metacaspase Yca1
To be Published
8DGZ
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BU of 8dgz by Molmil
Caspase-7 bound to substrate mimic and allosteric inhibitor
Descriptor: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid, Ac-Asp-Glu-Val-Asp-Aldehyde, Caspase-7
Authors:Propp, J, Kalenkiewicz, A, Kathryn, F.H, Spies, M.A.
Deposit date:2022-06-24
Release date:2023-07-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Allosteric Tuning of Caspase-7: Establishing the Nexus of Structure and Catalytic Power.
Chemistry, 29, 2023
8DJ3
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BU of 8dj3 by Molmil
Caspase-7 bound to novel allosteric inhibitor
Descriptor: 2-[(2-{[(3s,5s,7s)-adamantan-1-yl]sulfamoyl}phenyl)sulfanyl]benzoic acid, Caspase-7
Authors:Propp, J, Kalenkiewicz, A, Kathryn, F.H, Spies, M.A.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Allosteric Tuning of Caspase-7: Establishing the Nexus of Structure and Catalytic Power.
Chemistry, 29, 2023
4FDL
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BU of 4fdl by Molmil
Crystal structure of Caspase-7
Descriptor: Caspase-7
Authors:Kabaleeswaran, V.
Deposit date:2012-05-28
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:A class of allosteric caspase inhibitors identified by high-throughput screening.
Mol.Cell, 47, 2012
4FEA
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BU of 4fea by Molmil
Crystal structure of CASPASE-7 in Complex with allosteric inhibitor
Descriptor: Caspase-7, chloro{methyl hydrogenato(3-)-kappa~2~N,S [pyridin-2-yl(pyridin-2(1H)-ylidene-kappaN)methyl]carbonodithiohydrazonate}copper
Authors:Kabaleeswaran, V.
Deposit date:2012-05-29
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.79 Å)
Cite:A class of allosteric caspase inhibitors identified by high-throughput screening.
Mol.Cell, 47, 2012
4F6O
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BU of 4f6o by Molmil
Crystal structure of the yeast metacaspase Yca1
Descriptor: 1,1-diphenylethanol, Metacaspase-1
Authors:Wong, A.H, Yan, C.Y, Shi, Y.G.
Deposit date:2012-05-15
Release date:2012-07-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.681 Å)
Cite:Crystal structure of the yeast metacaspase Yca1.
J.Biol.Chem., 287, 2012
6W8S
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BU of 6w8s by Molmil
Crystal structure of metacaspase 4 from Arabidopsis
Descriptor: Metacaspase-4, SULFATE ION
Authors:Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q.
Deposit date:2020-03-21
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.484 Å)
Cite:Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
6W8T
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BU of 6w8t by Molmil
Crystal structure of metacaspase 4 from Arabidopsis (microcrystals treated with calcium)
Descriptor: Metacaspase-4, SULFATE ION
Authors:Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q.
Deposit date:2020-03-21
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
6W8R
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BU of 6w8r by Molmil
Crystal structure of metacaspase 4 C139A from Arabidopsis
Descriptor: Metacaspase-4, SULFATE ION
Authors:Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q.
Deposit date:2020-03-21
Release date:2020-05-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
8EG6
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BU of 8eg6 by Molmil
huCaspase-6 in complex with inhibitor 2a
Descriptor: (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R.
Deposit date:2022-09-11
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
8EG5
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BU of 8eg5 by Molmil
huCaspase-6 in complex with inhibitor 3a
Descriptor: (3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form), 1,2-ETHANEDIOL, Caspase-6 subunit p11, ...
Authors:Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R.
Deposit date:2022-09-11
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
2NN3
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BU of 2nn3 by Molmil
structure of pro-sf-caspase-1
Descriptor: Caspase-1
Authors:Fisher, A.J, Ni, L.
Deposit date:2006-10-23
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Pro-sfcapsase-1, structural insights into activation mechanism of caspases
To be Published
2P2C
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BU of 2p2c by Molmil
Inhibition of caspase-2 by a designed ankyrin repeat protein (DARPin)
Descriptor: Caspase-2
Authors:Roschitzki Voser, H, Briand, C, Capitani, G, Gruetter, M.G.
Deposit date:2007-03-07
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Inhibition of Caspase-2 by a Designed Ankyrin Repeat Protein: Specificity, Structure, and Inhibition Mechanism.
Structure, 15, 2007
2QLJ
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BU of 2qlj by Molmil
Crystal Structure of Caspase-7 with Inhibitor AC-WEHD-CHO
Descriptor: CITRIC ACID, Caspase-7, Inhibitor AC-WEHD-CHO, ...
Authors:Agniswamy, J, Fang, B, Weber, I.
Deposit date:2007-07-12
Release date:2007-08-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
2QL5
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BU of 2ql5 by Molmil
Crystal Structure of caspase-7 with inhibitor AC-DMQD-CHO
Descriptor: CITRIC ACID, Caspase-7, inhibitor, ...
Authors:Agniswamy, J, Fang, B, Weber, I.
Deposit date:2007-07-12
Release date:2007-08-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
2QL9
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BU of 2ql9 by Molmil
Crystal Structure of Caspase-7 with inhibitor AC-DQMD-CHO
Descriptor: CITRIC ACID, Caspase-7, Inhibitor AC-DQMD-CHO, ...
Authors:Agniswamy, J, Fang, B, Weber, I.
Deposit date:2007-07-12
Release date:2007-08-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
4FXO
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BU of 4fxo by Molmil
Zinc-mediated allosteric inhibiton of caspase-6
Descriptor: Caspase-6, ZINC ION
Authors:Velazquez-Delgado, E.M, Hardy, J.A.
Deposit date:2012-07-03
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Zinc-mediated Allosteric Inhibition of Caspase-6.
J.Biol.Chem., 287, 2012
4HQR
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BU of 4hqr by Molmil
Crystal Structure of mutant form of Caspase-7
Descriptor: Ac-Asp-Glu-Val-Asp-Aldehyde, Caspase-7
Authors:Lee, Y, Kang, H.J, Bae, K.-H, Kim, S.J, Chung, S.J.
Deposit date:2012-10-26
Release date:2013-09-11
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural asymmetry of procaspase-7 bound to a specific inhibitor
Acta Crystallogr.,Sect.D, 69, 2013

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