1ILZ
 
 | | OUTER MEMBRANE PHOSPHOLIPASE A FROM ESCHERICHIA COLI N156A ACTIVE SITE MUTANT pH 6.1 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, OUTER MEMBRANE PHOSPHOLIPASE A, octyl beta-D-glucopyranoside | | 著者 | Snijder, H.J, Van Eerde, J.H, Kingma, R.L, Kalk, K.H, Dekker, N, Egmond, M.R, Dijkstra, B.W. | | 登録日 | 2001-05-09 | | 公開日 | 2001-10-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural investigations of the active-site mutant Asn156Ala of outer membrane phospholipase A: function of the Asn-His interaction in the catalytic triad.
Protein Sci., 10, 2001
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5Q0R
 | | Ligand binding to FARNESOID-X-RECEPTOR | | 分子名称: | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, N,1-dibenzyl-6-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | 登録日 | 2017-05-31 | | 公開日 | 2017-07-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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5Q0Z
 | | Ligand binding to FARNESOID-X-RECEPTOR | | 分子名称: | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, ethyl (5S)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate | | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | 登録日 | 2017-05-31 | | 公開日 | 2017-07-05 | | 最終更新日 | 2021-11-17 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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5Q1I
 | | Ligand binding to FARNESOID-X-RECEPTOR | | 分子名称: | 3-(2-chlorophenyl)-N-[(1R)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | 登録日 | 2017-05-31 | | 公開日 | 2017-07-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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1ILD
 | | OUTER MEMBRANE PHOSPHOLIPASE A FROM ESCHERICHIA COLI N156A ACTIVE SITE MUTANT pH 4.6 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, OUTER MEMBRANE PHOSPHOLIPASE A, octyl beta-D-glucopyranoside | | 著者 | Snijder, H.J, Van Eerde, J.H, Kingma, R.L, Kalk, K.H, Dekker, N, Egmond, M.R, Dijkstra, B.W. | | 登録日 | 2001-05-08 | | 公開日 | 2001-10-03 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural investigations of the active-site mutant Asn156Ala of outer membrane phospholipase A: function of the Asn-His interaction in the catalytic triad.
Protein Sci., 10, 2001
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6S0W
 | | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and kanamycin B sulfate | | 分子名称: | (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, Kanamycin B dioxygenase, ... | | 著者 | Mrugala, B, Niedzialkowska, E, Minor, W, Borowski, T. | | 登録日 | 2019-06-18 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
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1J73
 | | Crystal structure of an unstable insulin analog with native activity. | | 分子名称: | ZINC ION, insulin a, insulin b | | 著者 | Wan, Z, Zhao, M, Nakagawa, S, Jia, W, Weiss, M.A. | | 登録日 | 2001-05-15 | | 公開日 | 2001-05-30 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Non-standard insulin design: structure-activity relationships at the periphery of the insulin receptor.
J.Mol.Biol., 315, 2002
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2AR3
 | | E90A mutant structure of PlyL | | 分子名称: | PHOSPHATE ION, ZINC ION, prophage lambdaba02, ... | | 著者 | Low, L.Y, Yang, C, Perego, M, Osterman, A, Liddington, R.C. | | 登録日 | 2005-08-19 | | 公開日 | 2006-06-06 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure and lytic activity of a Bacillus anthracis prophage endolysin.
J.Biol.Chem., 280, 2005
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1IJH
 | | CHOLESTEROL OXIDASE FROM STREPTOMYCES ASN485LEU MUTANT | | 分子名称: | CHOLESTEROL OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Vrielink, A, Lario, P.I. | | 登録日 | 2001-04-26 | | 公開日 | 2001-12-28 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | The presence of a hydrogen bond between asparagine 485 and the pi system of FAD modulates the redox potential in the reaction catalyzed by cholesterol oxidase.
Biochemistry, 40, 2001
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1IE5
 | | NMR STRUCTURE OF THE THIRD IMMUNOGLOBULIN DOMAIN FROM THE NEURAL CELL ADHESION MOLECULE. | | 分子名称: | NEURAL CELL ADHESION MOLECULE | | 著者 | Atkins, A.R, Chung, J, Deechongkit, S, Little, E.B, Edelman, G.M, Wright, P.E, Cunningham, B.A, Dyson, H.J. | | 登録日 | 2001-04-06 | | 公開日 | 2001-08-08 | | 最終更新日 | 2022-02-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the third immunoglobulin domain of the neural cell adhesion molecule N-CAM: can solution studies define the mechanism of homophilic binding?
J.Mol.Biol., 311, 2001
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1IRB
 | | CARBOXYLIC ESTER HYDROLASE | | 分子名称: | CALCIUM ION, PHOSPHOLIPASE A2 | | 著者 | Sundaralingam, M. | | 登録日 | 1997-08-13 | | 公開日 | 1997-12-24 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Phospholipase A2 engineering. Deletion of the C-terminus segment changes substrate specificity and uncouples calcium and substrate binding at the zwitterionic interface.
Biochemistry, 35, 1996
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6S0T
 | | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, sulfate, soaked with iodide | | 分子名称: | IODIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ... | | 著者 | Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T. | | 登録日 | 2019-06-18 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
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5FVE
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1KAV
 | | Human Tyrosine Phosphatase 1B Complexed with an Inhibitor | | 分子名称: | PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1, [(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-BUTYL}-PHENYL)-DIFLUORO-METHYL]-PHOSPHONIC ACID | | 著者 | Jia, Z, Ye, Q, Dinaut, A.N, Wang, Q, Waddleton, D, Payette, P, Ramachandran, C, Kennedy, B, Hum, G, Taylor, S.D. | | 登録日 | 2001-11-03 | | 公開日 | 2002-06-19 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structure of protein tyrosine phosphatase 1B in complex with inhibitors bearing two phosphotyrosine mimetics.
J.Med.Chem., 44, 2001
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1KAY
 | | 70KD HEAT SHOCK COGNATE PROTEIN ATPASE DOMAIN, K71A MUTANT | | 分子名称: | 70KD HEAT SHOCK COGNATE PROTEIN, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | 著者 | O'Brien, M.C, Flaherty, K.M, Mckay, D.B. | | 登録日 | 1996-04-15 | | 公開日 | 1996-11-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Lysine 71 of the chaperone protein Hsc70 Is essential for ATP hydrolysis.
J.Biol.Chem., 271, 1996
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1I7S
 | | ANTHRANILATE SYNTHASE FROM SERRATIA MARCESCENS IN COMPLEX WITH ITS END PRODUCT INHIBITOR L-TRYPTOPHAN | | 分子名称: | ANTHRANILATE SYNTHASE, TRPG, TRYPTOPHAN | | 著者 | Spraggon, G, Kim, C, Nguyen-Huu, X, Yee, M.-C, Yanofsky, C, Mills, S.E. | | 登録日 | 2001-03-10 | | 公開日 | 2001-05-16 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The structures of anthranilate synthase of Serratia marcescens crystallized in the presence of (i) its substrates, chorismate and glutamine, and a product, glutamate, and (ii) its end-product inhibitor, L-tryptophan.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1KHL
 | | E. COLI ALKALINE PHOSPHATASE MUTANT (D153HD330N) COMPLEX WITH PHOSPHATE | | 分子名称: | Alkaline Phosphatase, PHOSPHATE ION, ZINC ION | | 著者 | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E, Menez, A, Boulain, J.C. | | 登録日 | 2001-11-30 | | 公開日 | 2002-03-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase.
J.Mol.Biol., 316, 2002
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4GIF
 | | C-terminal coiled-coil domain of transient receptor potential channel TRPP3 (PKD2L1, Polycystin-L) | | 分子名称: | Polycystic kidney disease 2-like 1 protein | | 著者 | Yu, Y, Ulbrich, M.H, Li, M.-H, Dobbins, S, Zhang, W.K, Tong, L, Isacoff, E.Y, Yang, J. | | 登録日 | 2012-08-08 | | 公開日 | 2012-12-05 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Molecular mechanism of the assembly of an acid-sensing receptor ion channel complex.
Nat Commun, 3, 2012
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1KHN
 | | E. COLI ALKALINE PHOSPHATASE MUTANT (D153HD330N) ZINC FORM | | 分子名称: | Alkaline phosphatase, ZINC ION | | 著者 | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E, Menez, A, Boulain, J.C. | | 登録日 | 2001-11-30 | | 公開日 | 2002-03-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase.
J.Mol.Biol., 316, 2002
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1I7Q
 | | ANTHRANILATE SYNTHASE FROM S. MARCESCENS | | 分子名称: | ANTHRANILATE SYNTHASE, BENZOIC ACID, GLUTAMIC ACID, ... | | 著者 | Spraggon, G, Kim, C, Nguyen-Huu, X, Yee, M.-C, Yanofsky, C, Mills, S.E. | | 登録日 | 2001-03-10 | | 公開日 | 2001-05-16 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | The structures of anthranilate synthase of Serratia marcescens crystallized in the presence of (i) its substrates, chorismate and glutamine, and a product, glutamate, and (ii) its end-product inhibitor, L-tryptophan.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1I7P
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1KLK
 | | CRYSTAL STRUCTURE OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE TERNARY COMPLEX WITH PT653 AND NADPH | | 分子名称: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE | | 著者 | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Rosowsky, A, Queener, S.F. | | 登録日 | 2001-12-12 | | 公開日 | 2002-12-12 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-based enzyme inhibitor design: modeling studies and crystal structure analysis of Pneumocystis carinii dihydrofolate reductase ternary complex with PT653 and NADPH.
Acta Crystallogr.,Sect.D, 58, 2002
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1KMK
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1KMS
 | | HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE (SRI-9439), A LIPOPHILIC ANTIFOLATE | | 分子名称: | 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Klon, A.E, Heroux, A, Ross, L.J, Pathak, V, Johnson, C.A, Piper, J.R, Borhani, D.W. | | 登録日 | 2001-12-17 | | 公開日 | 2002-07-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | Atomic structures of human dihydrofolate reductase complexed with NADPH and two lipophilic antifolates at 1.09 a and 1.05 a resolution.
J.Mol.Biol., 320, 2002
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1KD1
 | | Co-crystal Structure of Spiramycin bound to the 50S Ribosomal Subunit of Haloarcula marismortui | | 分子名称: | 23S RRNA, 5S RRNA, CADMIUM ION, ... | | 著者 | Hansen, J.L, Ippolito, J.A, Ban, N, Nissen, P, Moore, P.B, Steitz, T.A. | | 登録日 | 2001-11-12 | | 公開日 | 2002-07-19 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The structures of four macrolide antibiotics bound to the large ribosomal subunit.
Mol.Cell, 10, 2002
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