3M1K
| Carbonic Anhydrase in complex with fragment | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-hydroxy-2-sulfanylpyridinium, Carbonic anhydrase 2, ... | 著者 | Schulze Wischeler, J, Heine, A, Klebe, G. | 登録日 | 2010-03-05 | 公開日 | 2010-11-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Bidentate Zinc chelators for alpha-carbonic anhydrases that produce a trigonal bipyramidal coordination geometry. Chemmedchem, 5, 2010
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3M04
| Carbonic Anhydrase II in complex with novel sulfonamide inhibitor | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, ZINC ION, ... | 著者 | Schulze Wischeler, J, Heine, A, Klebe, G, Sandner, N.U. | 登録日 | 2010-03-02 | 公開日 | 2011-05-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural investigation and inhibitor studies on Carbonic Anhydrase II To be Published
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3MB9
| Human Aldose Reductase mutant T113A complexed with Zopolrestat | 分子名称: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Koch, C, Heine, A, Klebe, G. | 登録日 | 2010-03-25 | 公開日 | 2011-03-09 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Ligand-induced fit affects binding modes and provokes changes in crystal packing of aldose reductase Biochim.Biophys.Acta, 1810, 2011
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3MC5
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3M1W
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3M5T
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3M2X
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3M64
| Human aldose reductase mutant T113V complexed with IDD393 | 分子名称: | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Koch, C, Heine, A, Klebe, G. | 登録日 | 2010-03-15 | 公開日 | 2011-03-09 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Ligand-induced fit affects binding modes and provokes changes in crystal packing of aldose reductase Biochim.Biophys.Acta, 1810, 2011
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3M2Z
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3M4H
| Human Aldose Reductase mutant T113V complexed with IDD388 | 分子名称: | (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, Aldose reductase, BROMIDE ION, ... | 著者 | Koch, C, Heine, A, Klebe, G. | 登録日 | 2010-03-11 | 公開日 | 2010-12-15 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (0.94 Å) | 主引用文献 | Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors J.Mol.Biol., 406, 2011
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4PRR
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3M0I
| Human Aldose Reductase mutant T113V in complex with Zopolrestat | 分子名称: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Koch, C, Heine, A, Klebe, G. | 登録日 | 2010-03-03 | 公開日 | 2011-03-09 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Ligand-induced fit affects binding modes and provokes changes in crystal packing of aldose reductase Biochim.Biophys.Acta, 1810, 2011
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3M5S
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3M1Q
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4Q8N
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4PRT
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4PR4
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4PUW
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4PUU
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4QBX
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4Q7B
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4Q8M
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5MNH
| Cationic trypsin in complex with benzamidine (deuterated sample at 295 K) | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | 著者 | Schiebel, J, Heine, A, Klebe, G. | 登録日 | 2016-12-13 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (0.93 Å) | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5MNO
| Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 295 K) | 分子名称: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | 著者 | Schiebel, J, Heine, A, Klebe, G. | 登録日 | 2016-12-13 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5MNY
| Neutron structure of cationic trypsin in complex with aniline | 分子名称: | CALCIUM ION, Cationic trypsin, phenylazanium | 著者 | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | 登録日 | 2016-12-13 | 公開日 | 2017-05-24 | 最終更新日 | 2024-01-17 | 実験手法 | NEUTRON DIFFRACTION (1.43 Å) | 主引用文献 | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin. Angew. Chem. Int. Ed. Engl., 56, 2017
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