PDB: 342 件ウェブページステータス検索Chemie searchBIRD

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7JL7	Zebrafish Caspase N213T 分子名称: ASP-GLU-VAL-ASP peptide, Caspase 3, apoptosis-related cysteine protease a 著者 Clark, A.C, Swartz, P.D. 登録日 2020-07-29 公開日 2021-01-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Remodeling hydrogen bond interactions results in relaxed specificity of Caspase-3. Biosci.Rep., 41, 2021
4M9R	Crystal structure of CED-3 分子名称: Cell death protein 3 著者 Xu, Y, Jeffrey, P.D, Shi, Y.G. 登録日 2013-08-15 公開日 2013-10-09 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.656 Å) 主引用文献 Mechanistic insights into CED-4-mediated activation of CED-3 Genes Dev., 27, 2013
2WDP	Crystal Structure of Ligand Free Human Caspase-6 分子名称: CASPASE-6, PHOSPHATE ION 著者 Baumgartner, R, Briand, C, Meder, G, Morse, R, Renatus, M. 登録日 2009-03-25 公開日 2009-10-27 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 The Crystal Structure of Caspase-6, a Selective Effector of Axonal Degeneration. Biochem.J., 423, 2009
1F1J	CRYSTAL STRUCTURE OF CASPASE-7 IN COMPLEX WITH ACETYL-ASP-GLU-VAL-ASP-CHO 分子名称: ACE-ASP-GLU-VAL-ASP-CHO, CASPASE-7 PROTEASE, SULFATE ION 著者 Wei, Y, Charifson, P.S. 登録日 2000-05-19 公開日 2001-05-23 最終更新日 2013-07-03 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 The structures of caspases-1, -3, -7 and -8 reveal the basis for substrate and inhibitor selectivity. Chem.Biol., 7, 2000
5V6Z	Crystal structure of human caspase-7 soaked with allosteric inhibitor 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid 分子名称: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid, Caspase-7 著者 Vance, N.R, Gakhar, L, Spies, M.A. 登録日 2017-03-17 公開日 2018-03-21 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal structure of human caspase-7 soaked with allosteric inhibitor To Be Published
5MTK	Crystal structure of human Caspase-1 with (3S,6S,10aS)-N-((2S,3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-6-(isoquinoline-1-carboxamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide (PGE-3935199) 分子名称: (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 著者 Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. 登録日 2017-01-09 公開日 2018-02-28 実験手法 X-RAY DIFFRACTION (2.53 Å) 主引用文献 Playing against the odds: scaffold hopping from 3D-fragments To Be Published
5MMV	Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) 分子名称: (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 著者 Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. 登録日 2016-12-12 公開日 2017-12-20 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) To Be Published
2K7Z	Solution Structure of the Catalytic Domain of Procaspase-8 分子名称: Caspase-8 著者 Keller, N, Zerbe, O, Mares, J, Gruetter, M.G. 登録日 2008-08-28 公開日 2009-03-24 最終更新日 2024-05-08 実験手法 SOLUTION NMR 主引用文献 Structural and biochemical studies on procaspase-8: new insights on initiator caspase activation. Structure, 17, 2009
5K20	Caspase-7 S239E Phosphomimetic 分子名称: Caspase-7 large subunit, Caspase-7 small subunit, FORMIC ACID 著者 Eron, S.J, Hardy, J.A. 登録日 2016-05-18 公開日 2017-01-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 PAK2 Phosphorylation Inhibits Caspase-7 by Two Divergent Mechanisms: Slowing Activation and Blocking Substrate Binding To Be Published
6PZP	Crystal structure of caspase-1 in complex with VX-765 分子名称: Caspase-1, N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide 著者 Yang, J, Liu, Z, Xiao, T.S. 登録日 2019-08-01 公開日 2020-08-05 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Crystal structure of caspase-1 in complex with VX-765 To Be Published
1BMQ	CRYSTAL STRUCTURE OF THE COMPLEX OF INTERLEUKIN-1BETA CONVERTING ENZYME (ICE) WITH A PEPTIDE BASED INHIBITOR, (3S )-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL }AMINO)-4-OXOBUTANAMIDE 分子名称: (3S)-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)-4-OXOBUTANAMIDE, PROTEIN (INTERLEUKIN-1 BETA CONVERTASE) 著者 Okamoto, Y, Anan, H, Nakai, E, Morihira, K, Yonetoku, Y, Kurihara, H, Katayama, N, Sakashita, H, Terai, Y, Takeuchi, M, Shibanuma, T, Isomura, Y. 登録日 1998-07-24 公開日 1998-07-29 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Peptide based interleukin-1 beta converting enzyme (ICE) inhibitors: synthesis, structure activity relationships and crystallographic study of the ICE-inhibitor complex. Chem.Pharm.Bull., 47, 1999
6NRY	Crystal structure of human caspase-4 分子名称: Caspase-4, GLYCEROL 著者 Yang, J, Liu, Z, Shi, W, Xiao, T.S. 登録日 2019-01-24 公開日 2020-07-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.184 Å) 主引用文献 Crystal structure of human caspase-4 To Be Published
6NS7	Crystal structure of murine caspase-11 分子名称: Caspase-11, SULFATE ION 著者 Yang, J, Liu, Z, Xiao, T.S. 登録日 2019-01-24 公開日 2020-07-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure of murine caspase-11 To Be Published
8FBV	Compound 7 bound to procaspase-6 分子名称: 5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 著者 Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. 登録日 2022-11-30 公開日 2023-12-13 最終更新日 2024-06-26 実験手法 X-RAY DIFFRACTION (2.86 Å) 主引用文献 Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
5V6U	Crystal structure of human caspase-7 soaked with allosteric inhibitor 2-[(2-acetylphenyl)sulfanyl]benzoic acid 分子名称: 2-[(2-acetylphenyl)sulfanyl]benzoic acid, Caspase-7 著者 Vance, N.R, Gakhar, L, Spies, M.A. 登録日 2017-03-17 公開日 2017-10-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Allosteric Tuning of Caspase-7: A Fragment-Based Drug Discovery Approach. Angew. Chem. Int. Ed. Engl., 56, 2017
5JFT	Zebra Fish Caspase-3 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASK, ... 著者 Tucker, M.B, MacKenzie, S.H, Maciag, J.J, Dirscherl, H, Swartz, P.D, Yoder, J.A, Hamilton, P.T, Clark, A.C. 登録日 2016-04-19 公開日 2016-10-26 最終更新日 2016-11-02 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Phage display and structural studies reveal plasticity in substrate specificity of caspase-3a from zebrafish. Protein Sci., 25, 2016
6PX9	Crystal structure of procaspase-8 in complex with covalent small molecule inhibitor 63-R 分子名称: Caspase-8, N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide 著者 Xu, J.H, Wolan, D.W. 登録日 2019-07-25 公開日 2020-01-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.88 Å) 主引用文献 Integrative X-ray Structure and Molecular Modeling for the Rationalization of Procaspase-8 Inhibitor Potency and Selectivity. Acs Chem.Biol., 15, 2020
2NN3	structure of pro-sf-caspase-1 分子名称: Caspase-1 著者 Fisher, A.J, Ni, L. 登録日 2006-10-23 公開日 2007-10-23 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Pro-sfcapsase-1, structural insights into activation mechanism of caspases To be Published
1CP3	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
1JXQ	Structure of cleaved, CARD domain deleted Caspase-9 分子名称: Caspase-9, benzoxycarbonyl-Val-Ala-Asp-fluoromethyl ketone Inhibitor 著者 Renatus, M, Stennicke, H.R, Scott, F.L, Liddington, R.C, Salvesen, G.S. 登録日 2001-09-08 公開日 2001-12-12 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Dimer formation drives the activation of the cell death protease caspase 9. Proc.Natl.Acad.Sci.USA, 98, 2001
2J32	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
2J30	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
1K86	Crystal structure of caspase-7 分子名称: caspase-7 著者 Chai, J, Wu, Q, Shiozaki, E, Srinivasa, S.M, Alnemri, E.S, Shi, Y. 登録日 2001-10-23 公開日 2001-11-21 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal structure of a procaspase-7 zymogen: mechanisms of activation and substrate binding Cell(Cambridge,Mass.), 107, 2001
2J33	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
1K88	Crystal structure of procaspase-7 分子名称: procaspase-7 著者 Chai, J, Wu, Q, Shiozaki, E, Srinivasa, S.M, Alnemri, E.S, Shi, Y. 登録日 2001-10-23 公開日 2001-11-21 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal structure of a procaspase-7 zymogen: mechanisms of activation and substrate binding Cell(Cambridge,Mass.), 107, 2001

 

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