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PDB: 135 件
3KJF
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Caspase 3 Bound to a covalent inhibitor
分子名称: (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
著者Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G.
登録日2009-11-03
公開日2010-08-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors.
Biochim.Biophys.Acta, 1804, 2010
7XN6
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BU of 7xn6 by Molmil
Cryo-EM structure of CopC-CaM-caspase-3 with ADPR-deacylization
分子名称: Arginine ADP-riboxanase CopC, Calmodulin-1, Caspase-3, ...
著者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.
登録日2022-04-28
公開日2022-12-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin.
Mol.Cell, 82, 2022
1I3O
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BU of 1i3o by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF XIAP-BIR2 AND CASPASE 3
分子名称: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4, CASPASE 3, ZINC ION
著者Riedl, S.J, Renatus, M, Schwarzenbacher, R, Zhou, Q, Sun, C, Fesik, S.W, Liddington, R.C, Salvesen, G.S.
登録日2001-02-15
公開日2001-03-21
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the inhibition of caspase-3 by XIAP.
Cell(Cambridge,Mass.), 104, 2001
4DCP
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BU of 4dcp by Molmil
Crystal Structure of caspase 3, L168F mutant
分子名称: Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者Chung, S.J, Kang, H.J, Kim, S.J.
登録日2012-01-18
公開日2012-12-12
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
4DCO
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BU of 4dco by Molmil
Crystal Structure of caspase 3, L168Y mutant
分子名称: Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者Chung, S.J, Kang, H.J, Kim, S.J.
登録日2012-01-18
公開日2012-12-12
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
7RND
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BU of 7rnd by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VDPVD-CHO
分子名称: Ac-VDPVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-01-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献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
7RN8
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Crystal structure of caspase-3 with inhibitor Ac-VD(Orn)VD-CHO
分子名称: Ac-VD(Orn)VD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-01-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献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
6X8I
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Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct
分子名称: Caspase-3, ketomethylene inhibitor
著者Solania, A, Xu, J.H, Wolan, D.W.
登録日2020-06-01
公開日2021-06-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct
To Be Published
6X8K
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Caspase-3 in complex with elongated ketomethylene inhibitor
分子名称: Caspase-3, ketomethylene inhibitor
著者Solania, A, Xu, J.H, Wolan, D.W.
登録日2020-06-01
公開日2021-06-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Caspase-3 in complex with elongated ketomethylene inhibitor
To Be Published
1CP3
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CRYSTAL STRUCTURE OF THE COMPLEX OF APOPAIN WITH THE TETRAPEPTIDE INHIBITOR ACE-DVAD-FMC
分子名称: ACETYL-ASP-VAL-ALA-ASP-FLUOROMETHYLKETONE, APOPAIN
著者Mittl, P.R.E, Dimarco, S, Gruetter, M.G.
登録日1996-12-12
公開日1997-12-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of recombinant human CPP32 in complex with the tetrapeptide acetyl-Asp-Val-Ala-Asp fluoromethyl ketone.
J.Biol.Chem., 272, 1997
1GFW
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THE 2.8 ANGSTROM CRYSTAL STRUCTURE OF CASPASE-3 (APOPAIN OR CPP32)IN COMPLEX WITH AN ISATIN SULFONAMIDE INHIBITOR.
分子名称: 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE, CASPASE-3 (APOPAIN, P10), ...
著者Concha, N.O, Janson, C.A.
登録日2000-06-16
公開日2000-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Potent and selective nonpeptide inhibitors of caspases 3 and 7 inhibit apoptosis and maintain cell functionality.
J.Biol.Chem., 275, 2000
1NME
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BU of 1nme by Molmil
Structure of Casp-3 with tethered salicylate
分子名称: 2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID, 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3
著者Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, B, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T.
登録日2003-01-09
公開日2003-03-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
1NMS
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Caspase-3 tethered to irreversible inhibitor
分子名称: 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID, Caspase-3
著者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.
登録日2003-01-10
公開日2003-03-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
1NMQ
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BU of 1nmq by Molmil
Extendend Tethering: In Situ Assembly of Inhibitors
分子名称: 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3
著者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.
登録日2003-01-10
公開日2003-03-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
3PD0
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BU of 3pd0 by Molmil
Caspase-3 E246A
分子名称: CHLORIDE ION, Caspase-3, INHIBITOR AC-DEVD-CMK
著者Walters, J, Swartz, P, Mattos, C, Clark, A.C.
登録日2010-10-22
公開日2011-02-16
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
3PCX
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Caspase-3 E246A, K242A Double Mutant
分子名称: Caspase-3, Inhibitor Ac-DEVD-CMK
著者Walters, J, Swartz, P, Mattos, C, Clark, A.C.
登録日2010-10-22
公開日2011-02-23
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
3PD1
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BU of 3pd1 by Molmil
Caspase-3 K242A
分子名称: Caspase-3, Inhibitor Ac-DEVD-CMK
著者Walters, J, Swartz, P, Mattos, C, Clark, A.C.
登録日2010-10-22
公開日2011-02-23
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献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
4JJE
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Caspase-3 specific unnatural amino acid peptides
分子名称: Caspase inhibitor, Caspase-3
著者Vickers, C.J, Gonzalez-Paez, G.E, Wolan, D.W.
登録日2013-03-07
公開日2013-06-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.481 Å)
主引用文献Selective Detection of Caspase-3 versus Caspase-7 Using Activity-Based Probes with Key Unnatural Amino Acids.
Acs Chem.Biol., 8, 2013
4JQZ
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Human procaspase-3, crystal form 2
分子名称: Procaspase-3
著者Thomsen, N.D, Wells, J.A.
登録日2013-03-20
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.889 Å)
主引用文献Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JR0
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Human procaspase-3 bound to Ac-DEVD-CMK
分子名称: Ac-DEVD-CMK, CHLORIDE ION, Procaspase-3
著者Thomsen, N.D, Wells, J.A.
登録日2013-03-20
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JQY
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Human procaspase-3, crystal form 1
分子名称: Procaspase-3
著者Thomsen, N.D, Wells, J.A.
登録日2013-03-20
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4PS0
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Caspase-8 specific unnatural amino acid peptides
分子名称: (BAL)LQ(HYP)(1U8) PEPTIDE, Caspase-3
著者Wolan, D.W, Vickers, C.J, Gonzalez-Paez, G.E.
登録日2014-03-06
公開日2015-01-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids.
Acs Chem.Biol., 9, 2014
4PRY
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Caspase-8 specific unnatural amino acid peptides
分子名称: Ac-LETD-CHO, Caspase-3
著者Wolan, D.W, Gonzalez-Paez, G.E, Vickers, C.J.
登録日2014-03-06
公開日2015-01-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids.
Acs Chem.Biol., 9, 2014
4QUG
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Caspase-3 M61A
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, ACETATE ION, AZIDE ION, ...
著者Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
登録日2014-07-10
公開日2014-11-05
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.917 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QUL
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Caspase-3 F55W
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3
著者Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
登録日2014-07-10
公開日2014-11-05
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014

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