1ELD
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![BU of 1eld by Molmil](/molmil-images/mine/1eld) | Structural analysis of the active site of porcine pancreatic elastase based on the x-ray crystal structures of complexes with trifluoroacetyl-dipeptide-anilide inhibitors | 分子名称: | ACETIC ACID, CALCIUM ION, ELASTASE, ... | 著者 | Mattos, C, Petsko, G.A, Ringe, D. | 登録日 | 1994-10-24 | 公開日 | 1995-02-14 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural analysis of the active site of porcine pancreatic elastase based on the X-ray crystal structures of complexes with trifluoroacetyl-dipeptide-anilide inhibitors. Biochemistry, 34, 1995
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7Z6L
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![BU of 7z6l by Molmil](/molmil-images/mine/7z6l) | Crystal structure of PROTAC 5 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | 分子名称: | (2~{S},4~{R})-~{N}-[[2-[3-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Roy, M.J, Bader, G, Farnaby, W, Ciulli, A. | 登録日 | 2022-03-12 | 公開日 | 2022-09-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo. Nat Commun, 13, 2022
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7Z77
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![BU of 7z77 by Molmil](/molmil-images/mine/7z77) | Crystal structure of compound 6 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | 分子名称: | (2~{S},4~{R})-~{N}-[(1~{S})-4-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Bader, G, Boettcher, J, Wolkerstorfer, B. | 登録日 | 2022-03-15 | 公開日 | 2022-09-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo. Nat Commun, 13, 2022
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7Z76
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![BU of 7z76 by Molmil](/molmil-images/mine/7z76) | Crystal structure of compound 10 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | 分子名称: | (2~{S},4~{R})-~{N}-[(1~{R})-2-[(2~{R})-1-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Bader, G, Boettcher, J, Wolkerstorfer, B. | 登録日 | 2022-03-15 | 公開日 | 2022-09-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo. Nat Commun, 13, 2022
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7Z78
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![BU of 7z78 by Molmil](/molmil-images/mine/7z78) | Crystal structure of compound 4 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | 分子名称: | 4-bromanyl-7-cyclopentyl-9-piperidin-4-yl-benzimidazolo[1,2-a]quinazolin-5-one, Probable global transcription activator SNF2L2, ZINC ION | 著者 | Bader, G, Boettcher, J, Wolkerstorfer, B. | 登録日 | 2022-03-15 | 公開日 | 2022-09-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo. Nat Commun, 13, 2022
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1EAT
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![BU of 1eat by Molmil](/molmil-images/mine/1eat) | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 5. DESIGN, SYNTHESIS, AND X-RAY CRYSTALLOGRAPHY OF A SERIES OF ORALLY ACTIVE 5-AMINO-PYRIMIDIN-6-ONE-CONTAINING TRIFLUOROMETHYLKETONES | 分子名称: | 2-[5-METHANESULFONYLAMINO-2-(4-AMINOPHENYL)-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | 著者 | Ceccarelli, C. | 登録日 | 1994-11-22 | 公開日 | 1995-02-07 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Nonpeptidic inhibitors of human leukocyte elastase. 5. Design, synthesis, and X-ray crystallography of a series of orally active 5-aminopyrimidin-6-one-containing trifluoromethyl ketones. J.Med.Chem., 38, 1995
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7YK9
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![BU of 7yk9 by Molmil](/molmil-images/mine/7yk9) | Neutron Structure of PcyA I86D Mutant Complexed with Biliverdin at Room Temperature | 分子名称: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase | 著者 | Unno, M, Igarashi, K. | 登録日 | 2022-07-22 | 公開日 | 2023-01-25 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | 主引用文献 | Neutron crystallography and quantum chemical analysis of bilin reductase PcyA mutants reveal substrate and catalytic residue protonation states. J.Biol.Chem., 299, 2022
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1WBF
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![BU of 1wbf by Molmil](/molmil-images/mine/1wbf) | WINGED BEAN LECTIN, SACCHARIDE FREE FORM | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE (II) ION, ... | 著者 | Manoj, N, Srinivas, V.R, Suguna, K. | 登録日 | 1998-12-16 | 公開日 | 1999-12-22 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of basic winged-bean lectin and a comparison with its saccharide-bound form. Acta Crystallogr.,Sect.D, 55, 1999
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1EAU
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![BU of 1eau by Molmil](/molmil-images/mine/1eau) | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 6. DESIGN OF A POTENT, INTRATRACHEALLY ACTIVE, PYRIDONE-BASED TRIFLUOROMETHYL KETONE | 分子名称: | 2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-DIHYDROPYRIMIDIN-1-YL)-N-[3,3-DIFLUORO -1-ISOPROPYL-2-OXO-3-(N-(2-MORPHOLINO ETHYL)CARBAMOYL]PROPYL]ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | 著者 | Ceccarelli, C. | 登録日 | 1994-11-22 | 公開日 | 1995-02-07 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Nonpeptidic inhibitors of human leukocyte elastase. 6. Design of a potent, intratracheally active, pyridone-based trifluoromethyl ketone. J.Med.Chem., 38, 1995
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1A61
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![BU of 1a61 by Molmil](/molmil-images/mine/1a61) | THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR | 分子名称: | (1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyra zolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | 著者 | St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M. | 登録日 | 1998-03-05 | 公開日 | 1998-06-17 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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1A46
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![BU of 1a46 by Molmil](/molmil-images/mine/1a46) | THROMBIN COMPLEXED WITH HIRUGEN AND A BETA-STRAND MIMETIC INHIBITOR | 分子名称: | (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | 著者 | St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M. | 登録日 | 1998-02-11 | 公開日 | 1998-05-27 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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5N29
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![BU of 5n29 by Molmil](/molmil-images/mine/5n29) | |
1ELB
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![BU of 1elb by Molmil](/molmil-images/mine/1elb) | Analogous inhibitors of elastase do not always bind analogously | 分子名称: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-leucinamide, CALCIUM ION, ELASTASE, ... | 著者 | Mattos, C, Rasmussen, B, Ding, X, Petsko, G.A, Ringe, D. | 登録日 | 1993-12-07 | 公開日 | 1994-06-22 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Analogous inhibitors of elastase do not always bind analogously. Nat.Struct.Biol., 1, 1994
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1ELE
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![BU of 1ele by Molmil](/molmil-images/mine/1ele) | STRUCTURAL ANALYSIS OF THE ACTIVE SITE OF PORCINE PANCREATIC ELASTASE BASED ON THE X-RAY CRYSTAL STRUCTURES OF COMPLEXES WITH TRIFLUOROACETYL-DIPEPTIDE-ANILIDE INHIBITORS | 分子名称: | CALCIUM ION, ELASTASE, N-(trifluoroacetyl)-L-valyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide, ... | 著者 | Mattos, C, Petsko, G.A, Ringe, D. | 登録日 | 1994-10-24 | 公開日 | 1995-02-14 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural analysis of the active site of porcine pancreatic elastase based on the X-ray crystal structures of complexes with trifluoroacetyl-dipeptide-anilide inhibitors. Biochemistry, 34, 1995
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1DOJ
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![BU of 1doj by Molmil](/molmil-images/mine/1doj) | Crystal structure of human alpha-thrombin*RWJ-51438 complex at 1.7 A | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUGEN, ... | 著者 | Recacha, R, Costanzo, M.J, Maryanoff, B.E, Carson, M, DeLucas, L, Chattopadhyay, D. | 登録日 | 1999-12-21 | 公開日 | 2000-11-03 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure of human alpha-thrombin complexed with RWJ-51438 at 1.7 A: unusual perturbation of the 60A-60I insertion loop. Acta Crystallogr.,Sect.D, 56, 2000
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1ESB
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![BU of 1esb by Molmil](/molmil-images/mine/1esb) | DIRECT STRUCTURE OBSERVATION OF AN ACYL-ENZYME INTERMEDIATE IN THE HYDROLYSIS OF AN ESTER SUBSTRATE BY ELASTASE | 分子名称: | CALCIUM ION, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, PORCINE PANCREATIC ELASTASE, ... | 著者 | Ding, X, Rasmussen, B, Petsko, G.A, Ringe, D. | 登録日 | 1994-02-04 | 公開日 | 1994-04-30 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Direct structural observation of an acyl-enzyme intermediate in the hydrolysis of an ester substrate by elastase. Biochemistry, 33, 1994
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1QGF
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![BU of 1qgf by Molmil](/molmil-images/mine/1qgf) | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3R, 4S)N-PARA-TOLUENESULPHONYL-3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE | 分子名称: | (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | 著者 | Wilmouth, R.C, Kassamally, S, Westwood, N.J, Sheppard, R.J, Claridge, T.D.W, Wright, P.A, Pritchard, G.J, Schofield, C.J. | 登録日 | 1999-04-27 | 公開日 | 1999-12-29 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Mechanistic insights into the inhibition of serine proteases by monocyclic lactams. Biochemistry, 38, 1999
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1QNJ
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![BU of 1qnj by Molmil](/molmil-images/mine/1qnj) | THE STRUCTURE OF NATIVE PORCINE PANCREATIC ELASTASE AT ATOMIC RESOLUTION (1.1 A) | 分子名称: | ELASTASE, SODIUM ION, SULFATE ION | 著者 | Wurtele, M, Hahn, M, Hilpert, K, Hohne, W. | 登録日 | 1999-10-15 | 公開日 | 2000-03-31 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Atomic Resolution Structure of Native Porcine Pancreatic Elastase at 1.1 A Acta Crystallogr.,Sect.D, 56, 2000
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1QIX
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![BU of 1qix by Molmil](/molmil-images/mine/1qix) | Porcine pancreatic elastase complexed with human beta-casomorphin-7 | 分子名称: | BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE, ... | 著者 | Wilmouth, R.C, Clifton, I.J, Hajdu, J, Schofield, C.J. | 登録日 | 1999-06-18 | 公開日 | 1999-12-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of a Specific Acyl-Enzyme Complex Formed between Beta-Casomorphin-7 and Porcine Pancreatic Elastase Nat.Struct.Biol., 4, 1997
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1YNQ
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![BU of 1ynq by Molmil](/molmil-images/mine/1ynq) | aldo-keto reductase AKR11C1 from Bacillus halodurans (holo form) | 分子名称: | GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ... | 著者 | Marquardt, T, Kostrewa, D, Winkler, F.K, Li, X.D. | 登録日 | 2005-01-25 | 公開日 | 2005-12-06 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | High-resolution Crystal Structure of AKR11C1 from Bacillus halodurans: An NADPH-dependent 4-Hydroxy-2,3-trans-nonenal Reductase J.Mol.Biol., 354, 2005
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1YNP
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![BU of 1ynp by Molmil](/molmil-images/mine/1ynp) | aldo-keto reductase AKR11C1 from Bacillus halodurans (apo form) | 分子名称: | GLYCEROL, SODIUM ION, SULFATE ION, ... | 著者 | Marquardt, T, Kostrewa, D, Winkler, F.K, Li, X.D. | 登録日 | 2005-01-25 | 公開日 | 2005-12-06 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | High-resolution Crystal Structure of AKR11C1 from Bacillus halodurans: An NADPH-dependent 4-Hydroxy-2,3-trans-nonenal Reductase J.Mol.Biol., 354, 2005
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7SHW
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![BU of 7shw by Molmil](/molmil-images/mine/7shw) | |
1BTU
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![BU of 1btu by Molmil](/molmil-images/mine/1btu) | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4R)-1-TOLUENESULPHONYL-3-ETHYL-AZETIDIN-2-ONE-4-CARBOXYLIC ACID | 分子名称: | (3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-L-aspartic acid, CALCIUM ION, ELASTASE, ... | 著者 | Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | 登録日 | 1998-09-01 | 公開日 | 1999-02-16 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Inhibition of elastase by N-sulfonylaryl beta-lactams: anatomy of a stable acyl-enzyme complex. Biochemistry, 37, 1998
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1HAZ
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![BU of 1haz by Molmil](/molmil-images/mine/1haz) | Snapshots of serine protease catalysis: (C) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 9 for 1 minute | 分子名称: | BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE 1, ... | 著者 | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | 登録日 | 2001-04-10 | 公開日 | 2001-08-02 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate Nat.Struct.Biol., 8, 2001
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1HB0
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![BU of 1hb0 by Molmil](/molmil-images/mine/1hb0) | Snapshots of serine protease catalysis: (D) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 10 for 2 minutes | 分子名称: | CALCIUM ION, ELASTASE 1, SULFATE ION | 著者 | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | 登録日 | 2001-04-10 | 公開日 | 2001-08-02 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate Nat.Struct.Biol., 8, 2001
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