6FJG
 
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5C6O
 | | protein B | | 分子名称: | (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile, BH2163 protein | | 著者 | Lu, M. | | 登録日 | 2015-06-23 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural basis for the blockade of MATE multidrug efflux pumps.
Nat Commun, 6, 2015
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1H85
 | | FERREDOXIN:NADP+ REDUCTASE MUTANT WITH VAL 136 REPLACED BY LEU (V136L) | | 分子名称: | FERREDOXIN--NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | 著者 | Hermoso, J.A, Mayoral, T, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C. | | 登録日 | 2001-01-24 | | 公開日 | 2001-11-28 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Role of a Cluster of Hydrophobic Residues Near the Fad Cofactor in Anabaena Pcc 7119 Ferredoxin-Nadp+ Reductase for Optimal Complex Formation and Electron Transfer to Ferredoxin
J.Biol.Chem., 276, 2001
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5VKF
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7BRY
 | | Bovine Pancreatic Trypsin with 6-Methoxytryptamine (Room Temperature) | | 分子名称: | 2-(6-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | | 著者 | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | | 登録日 | 2020-03-30 | | 公開日 | 2020-08-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
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7BS5
 | | Bovine Pancreatic Trypsin with 6-Methoxytryptamine (Cryo) | | 分子名称: | 2-(6-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | | 著者 | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | | 登録日 | 2020-03-30 | | 公開日 | 2020-08-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
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6TP4
 | | Crystal structure of the Orexin-1 receptor in complex with ACT-462206 | | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide, Orexin receptor type 1, ... | | 著者 | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | | 登録日 | 2019-12-12 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.011 Å) | | 主引用文献 | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
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1X26
 | | Solution structure of the AA-mismatch DNA complexed with naphthyridine-azaquinolone | | 分子名称: | 5'-D(*CP*AP*TP*TP*CP*AP*GP*TP*TP*AP*G)-3', 5'-D(*CP*TP*AP*AP*CP*AP*GP*AP*AP*TP*G)-3', N~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN-2-YL)AMINO]-3-OXOPROPYL}-N~1~-[(7-OXO-7,8-DIHYDRO-1,8-NAPHTHYRIDIN-2-YL)METHYL]-BET A-ALANINAMIDE | | 著者 | Nakatani, K, Hagihara, S, Goto, Y, Kobori, A, Hagihara, M, Hayashi, G, Kyo, M, Nomura, M, Mishima, M, Kojima, C. | | 登録日 | 2005-04-20 | | 公開日 | 2006-04-04 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Small-molecule ligand induces nucleotide flipping in (CAG)n trinucleotide repeats
Nat.Chem.Biol., 1, 2005
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6TPG
 | | Crystal structure of the Orexin-2 receptor in complex with EMPA at 2.74 A resolution | | 分子名称: | N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Hypocretin receptor-2, ... | | 著者 | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | | 登録日 | 2019-12-13 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.741 Å) | | 主引用文献 | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
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1GTV
 | | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE-5'-DIPHOSPHATE (TDP) | | 分子名称: | ACETATE ION, MAGNESIUM ION, SULFATE ION, ... | | 著者 | Ursby, T, Weik, M, Fioravanti, E, Delarue, M, Goeldner, M, Bourgeois, D. | | 登録日 | 2002-01-21 | | 公開日 | 2002-03-28 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Cryophotolysis of Caged Compounds: A Technique for Trapping Intermediate States in Protein Crystals
Acta Crystallogr.,Sect.D, 58, 2002
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7BS1
 | | Bovine Pancreatic Trypsin with benzamidine (Room Temperature) | | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin | | 著者 | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | | 登録日 | 2020-03-30 | | 公開日 | 2020-08-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
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7BS9
 | | Bovine Pancreatic Trypsin with serotonin (Cryo) | | 分子名称: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | | 著者 | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | | 登録日 | 2020-03-30 | | 公開日 | 2020-08-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
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7L3J
 | | T4 Lysozyme L99A - benzylacetate - RT | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Fischer, M, Bradford, S.Y.C. | | 登録日 | 2020-12-17 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
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7L3A
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7L39
 | | T4 Lysozyme L99A - toluene - RT | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Fischer, M, Bradford, S.Y.C. | | 登録日 | 2020-12-17 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
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8JFF
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7L3B
 | | T4 Lysozyme L99A - iodobenzene - RT | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Fischer, M, Bradford, S.Y.C. | | 登録日 | 2020-12-17 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
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7L38
 | | T4 Lysozyme L99A - Apo - cryo | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Fischer, M, Bradford, S.Y.C. | | 登録日 | 2020-12-17 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
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7L3G
 | | T4 Lysozyme L99A - 4-iodotoluene - cryo | | 分子名称: | 1-iodo-4-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | | 著者 | Fischer, M, Bradford, S.Y.C. | | 登録日 | 2020-12-17 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
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7L3F
 | | T4 Lysozyme L99A - 4-iodotoluene - RT | | 分子名称: | 1-iodo-4-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | Fischer, M, Bradford, S.Y.C. | | 登録日 | 2020-12-17 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
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2RNQ
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7L37
 | | T4 Lysozyme L99A - Apo - RT | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Fischer, M, Bradford, S.Y.C. | | 登録日 | 2020-12-17 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.439 Å) | | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
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7BRX
 | | Bovine Pancreatic Trypsin with 5-Methoxytryptamine (Room Temperature) | | 分子名称: | 2-(5-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin | | 著者 | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | | 登録日 | 2020-03-30 | | 公開日 | 2020-08-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
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7BS4
 | | Bovine Pancreatic Trypsin with 5-Methoxytryptamine (Cryo) | | 分子名称: | 2-(5-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | | 著者 | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | | 登録日 | 2020-03-30 | | 公開日 | 2020-08-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
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7L3H
 | | T4 Lysozyme L99A - ethylbenzene - RT | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Fischer, M, Bradford, S.Y.C. | | 登録日 | 2020-12-17 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
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