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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
2WDP
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BU of 2wdp by Molmil
Crystal Structure of Ligand Free Human Caspase-6
Descriptor: CASPASE-6, PHOSPHATE ION
Authors:Baumgartner, R, Briand, C, Meder, G, Morse, R, Renatus, M.
Deposit date:2009-03-25
Release date:2009-10-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Crystal Structure of Caspase-6, a Selective Effector of Axonal Degeneration.
Biochem.J., 423, 2009
2Y0B
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BU of 2y0b by Molmil
Caspase-3 in Complex with an Inhibitory DARPin-3.4_S76R
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CASPASE-3, ...
Authors:Barandun, J, Schroeder, T, Mittl, P, Grutter, M.G.
Deposit date:2010-12-01
Release date:2011-12-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Specific Inhibition of Caspase-3 by a Competitive Darpin: Molecular Mimicry between Native and Designed Inhibitors.
Structure, 21, 2013
2XYP
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BU of 2xyp by Molmil
Caspase-3:CAS26049945
Descriptor: CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17, PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE
Authors:Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R.
Deposit date:2010-11-18
Release date:2011-08-17
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety.
Acta Crystallogr.,Sect.F, 67, 2011
3KJQ
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BU of 3kjq by Molmil
Caspase 8 with covalent inhibitor
Descriptor: (3S)-3-({[(5S,8R)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, Caspase-8
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 (1.8 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
2Y1L
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BU of 2y1l by Molmil
Caspase-8 in Complex with DARPin-8.4
Descriptor: 1,2-ETHANEDIOL, AC-IETD-CHO, CASPASE-8, ...
Authors:Barandun, J, Schroeder, T, Mittl, P.R.E, Grutter, M.G.
Deposit date:2010-12-08
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Caspase-8 in Complex with Darpin-8.4
To be Published
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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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
2QLF
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BU of 2qlf by Molmil
Crystal Structure of Caspase-7 with inhibitor AC-DNLD-CHO
Descriptor: Caspase-7, Inhibitor AC-DNLD-CHO, Peptide QGHGE
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 (2.8 Å)
Cite:Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
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
2QL7
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BU of 2ql7 by Molmil
Crystal Structure of Caspase-7 with inhibitor AC-IEPD-CHO
Descriptor: CITRIC ACID, Caspase-7, Inhibitor AC-IEPD_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 (2.4 Å)
Cite:Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
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
5IAN
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BU of 5ian by Molmil
Caspase 3 V266N
Descriptor: ACE-ASP-GLU-VAL-ASK, Caspase-3, LEU-SER-SER, ...
Authors:Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
Deposit date:2016-02-21
Release date:2016-10-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IAE
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BU of 5iae by Molmil
Caspase 3 V266F
Descriptor: ACE-ASP-GLU-VAL-ASK, ACETATE ION, CHLORIDE ION, ...
Authors:Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
Deposit date:2016-02-21
Release date:2016-10-26
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IBR
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BU of 5ibr by Molmil
Caspase 3 V266K
Descriptor: ACE-ASP-GLU-VAL-ASK, Caspase-3
Authors:Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
Deposit date:2016-02-22
Release date:2016-10-26
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
4M9R
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BU of 4m9r by Molmil
Crystal structure of CED-3
Descriptor: Cell death protein 3
Authors:Xu, Y, Jeffrey, P.D, Shi, Y.G.
Deposit date:2013-08-15
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.656 Å)
Cite:Mechanistic insights into CED-4-mediated activation of CED-3
Genes Dev., 27, 2013
5IAG
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BU of 5iag by Molmil
Caspase 3 V266Q
Descriptor: ACE-ASP-GLU-VAL-ASK, ASP-ASP-ASP-MET, Caspase-3
Authors:Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
Deposit date:2016-02-21
Release date:2016-10-26
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5JFT
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BU of 5jft by Molmil
Zebra Fish Caspase-3
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASK, ...
Authors:Tucker, M.B, MacKenzie, S.H, Maciag, J.J, Dirscherl, H, Swartz, P.D, Yoder, J.A, Hamilton, P.T, Clark, A.C.
Deposit date:2016-04-19
Release date:2016-10-26
Last modified:2016-11-02
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Phage display and structural studies reveal plasticity in substrate specificity of caspase-3a from zebrafish.
Protein Sci., 25, 2016
5K20
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BU of 5k20 by Molmil
Caspase-7 S239E Phosphomimetic
Descriptor: Caspase-7 large subunit, Caspase-7 small subunit, FORMIC ACID
Authors:Eron, S.J, Hardy, J.A.
Deposit date:2016-05-18
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:PAK2 Phosphorylation Inhibits Caspase-7 by Two Divergent Mechanisms: Slowing Activation and Blocking Substrate Binding
To Be Published
4NBN
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BU of 4nbn by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 2,2'-[pyrimidine-4,6-diylbis(iminomethanediyl)]diphenol, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-23
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4N5D
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BU of 4n5d by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6: Cpd1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8H)-one, Caspase-6, ...
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-09
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
7WR0
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BU of 7wr0 by Molmil
P32 of caspase-4 C258A mutant
Descriptor: Caspase-4
Authors:Hou, Y.J, Zeng, H, Shao, F, Ding, J.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
4NBL
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BU of 4nbl by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-23
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.756 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4N7M
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BU of 4n7m by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-15
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.125 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014

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数据于2024-07-17公开中

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