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4QUA
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BU of 4qua by Molmil
Caspase-3 Y195F
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, 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 (1.892 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QUB
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BU of 4qub by Molmil
Caspase-3 K137A
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 (1.689 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4JR0
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BU of 4jr0 by Molmil
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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BU of 4jqy by Molmil
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
3ITN
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BU of 3itn by Molmil
Crystal structure of Pseudo-activated Procaspase-3
分子名称: ACETYL-ASP-GLU-VAL-ASP-CHLOROMETHYL KETONE inhibitor, Caspase-3
著者Walters, J, Pop, C, Scott, F.L, Drag, M, Swartz, P.D, Mattos, C, Salvesen, G.S, Clark, A.C.
登録日2009-08-28
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A constitutively active and uninhibitable caspase-3 zymogen efficiently induces apoptosis.
Biochem.J., 424, 2009
5Y0Y
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BU of 5y0y by Molmil
RVFV GN-AU
分子名称: GOLD ION, NSmGnGc
著者Wu, Y, Gao, F, Qi, J.X, Chai, Y, Gao, G.F.
登録日2017-07-19
公開日2017-09-13
最終更新日2017-09-20
実験手法X-RAY DIFFRACTION (3.398 Å)
主引用文献Structures of phlebovirus glycoprotein Gn and identification of a neutralizing antibody epitope
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3KJF
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BU of 3kjf by Molmil
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
5Y0W
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BU of 5y0w by Molmil
The structure of RVFV Gn head domain
分子名称: NSmGnGc
著者Wu, Y, Gao, F, Qi, J.X, Chai, Y, Gao, G.F.
登録日2017-07-19
公開日2017-09-13
最終更新日2017-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of phlebovirus glycoprotein Gn and identification of a neutralizing antibody epitope
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3DEI
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BU of 3dei by Molmil
Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
分子名称: (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate, Caspase-3
著者Wu, J, Du, J, Li, J, Ding, J.
登録日2008-06-10
公開日2008-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
3DEK
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BU of 3dek by Molmil
Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
分子名称: Caspase-3, N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
著者Wu, J, Du, J, Li, J, Ding, J.
登録日2008-06-10
公開日2008-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
2J30
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BU of 2j30 by Molmil
The Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)caspase-3
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3
著者Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C.
登録日2006-08-17
公開日2006-11-08
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3.
Biochemistry, 45, 2006
2J33
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BU of 2j33 by Molmil
The Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)caspase-3
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3
著者Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C.
登録日2006-08-17
公開日2006-11-08
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3.
Biochemistry, 45, 2006
2J31
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BU of 2j31 by Molmil
The Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of(Pro)caspase-3
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3
著者Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C.
登録日2006-08-17
公開日2006-11-08
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3.
Biochemistry, 45, 2006
2H65
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BU of 2h65 by Molmil
Crystal strusture of caspase-3 with inhibitor Ac-VDVAD-Cho
分子名称: Ac-VDVAD-Cho, caspase-3, p12 subunit, ...
著者Fang, B, Boross, P.I, Tozser, J, Weber, I.T.
登録日2006-05-30
公開日2006-09-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and kinetic analysis of caspase-3 reveals role for s5 binding site in substrate recognition
J.Mol.Biol., 360, 2006
3PCX
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BU of 3pcx by Molmil
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
2J32
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BU of 2j32 by Molmil
The Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of(Pro)caspase-3
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3
著者Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C.
登録日2006-08-17
公開日2006-11-08
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3.
Biochemistry, 45, 2006
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
3OD2
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BU of 3od2 by Molmil
E. coli NikR soaked with excess nickel ions
分子名称: 3-CYCLOHEXYLPROPYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE, NICKEL (II) ION, Nickel-responsive regulatory protein
著者Phillips, C.M, Schreiter, E.R, Drennan, C.L.
登録日2010-08-10
公開日2010-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of low-affinity nickel binding to the nickel-responsive transcription factor NikR from Escherichia coli.
Biochemistry, 49, 2010
7RNC
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BU of 7rnc by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VDVVD-CHO
分子名称: Ac-VDVVD-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2022-06-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural Studies to Enable Drug Discovery
Thesis, 2021
2KAE
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BU of 2kae by Molmil
data-driven model of MED1:DNA complex
分子名称: 5'-D(*DCP*DGP*DGP*DAP*DAP*DAP*DAP*DGP*DTP*DAP*DTP*DAP*DCP*DTP*DTP*DTP*DTP*DCP*DCP*DG)-3', GATA-type transcription factor, ZINC ION
著者Lowry, J.A, Gamsjaeger, R, Thong, S, Hung, W, Kwan, A.H, Broitman-Maduro, G, Matthews, J.M, Maduro, M, Mackay, J.P.
登録日2008-11-04
公開日2009-01-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural Analysis of MED-1 Reveals Unexpected Diversity in the Mechanism of DNA Recognition by GATA-type Zinc Finger Domains.
J.Biol.Chem., 284, 2009
2H5I
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BU of 2h5i by Molmil
Crystal structure of caspase-3 with inhibitor Ac-DEVD-Cho
分子名称: Ac-DEV(ASJ), caspase-3, p12 subunit, ...
著者Fang, B, Boross, P.I, Tozser, J, Weber, I.T.
登録日2006-05-26
公開日2006-09-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural and kinetic analysis of caspase-3 reveals role for s5 binding site in substrate recognition
J.Mol.Biol., 360, 2006
4MDC
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BU of 4mdc by Molmil
Crystal structure of glutathione S-transferase from Sinorhizobium meliloti 1021, NYSGRC target 021389
分子名称: GLYCEROL, Putative glutathione S-transferase
著者Shabalin, I.G, Bacal, P, Cooper, D.R, Stead, M, Ahmed, M, Hammonds, J, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-08-22
公開日2013-09-04
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of glutathione S-transferase from Sinorhizobium meliloti 1021
To be Published
2H5J
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BU of 2h5j by Molmil
Crystal strusture of caspase-3 with inhibitor Ac-DMQD-Cho
分子名称: Ac-DMQD-Cho, caspase-3, p12 subunit, ...
著者Fang, B, Boross, P.I, Tozser, J, Weber, I.T.
登録日2006-05-26
公開日2006-09-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and kinetic analysis of caspase-3 reveals role for s5 binding site in substrate recognition
J.Mol.Biol., 360, 2006
1RHJ
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BU of 1rhj by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A PRYAZINONE INHIBITOR
分子名称: 3-(2-{5-TERT-BUTYL-3-[(4-METHYL-FURAZAN-3-YLMETHYL)-AMINO]-2-OXO-2H-PYRAZIN-1-YL}-BUTYRYLAMINO)-5-(HEXYL-METHYL-AMINO)-4-OXO-PENTANOIC ACID ANION, Caspase-3
著者Becker, J.W, Rotonda, J, Soisson, S.M.
登録日2003-11-14
公開日2004-05-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004

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