3T9X
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1Y59
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![BU of 1y59 by Molmil](/molmil-images/mine/1y59) | Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant | 分子名称: | 2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL, CALCIUM ION, GLYCEROL, ... | 著者 | Di Fenza, A, Heine, A, Klebe, G. | 登録日 | 2004-12-02 | 公開日 | 2005-12-13 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions Chemmedchem, 2, 2007
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1Y5U
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![BU of 1y5u by Molmil](/molmil-images/mine/1y5u) | Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant | 分子名称: | 2-O-{3-[AMINO(IMINO)METHYL]PHENYL}-5-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Di Fenza, A, Heine, A, Klebe, G. | 登録日 | 2004-12-03 | 公開日 | 2005-12-13 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions Chemmedchem, 2, 2007
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3T9H
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![BU of 3t9h by Molmil](/molmil-images/mine/3t9h) | Kainate bound to a double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2 | 分子名称: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 2, ZINC ION | 著者 | Ahmed, A.H, Wang, S, Chuang, H.H, Oswald, R.E. | 登録日 | 2011-08-02 | 公開日 | 2011-08-17 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.015 Å) | 主引用文献 | Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS. J.Biol.Chem., 286, 2011
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3T96
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![BU of 3t96 by Molmil](/molmil-images/mine/3t96) | Iodowillardiine bound to a double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2 | 分子名称: | 2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, Glutamate receptor 2, ZINC ION | 著者 | Ahmed, A.H, Wang, S, Chuang, H.H, Oswald, R.E. | 登録日 | 2011-08-02 | 公開日 | 2011-08-17 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.872 Å) | 主引用文献 | Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS. J.Biol.Chem., 286, 2011
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3T93
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1Y5A
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![BU of 1y5a by Molmil](/molmil-images/mine/1y5a) | Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant | 分子名称: | 2-O-{4-[AMINO(IMINO)METHYL]PHENYL}-5-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL, CALCIUM ION, GLYCEROL, ... | 著者 | Di Fenza, A, Heine, A, Klebe, G. | 登録日 | 2004-12-02 | 公開日 | 2005-12-13 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions Chemmedchem, 2, 2007
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1Y5B
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![BU of 1y5b by Molmil](/molmil-images/mine/1y5b) | Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant | 分子名称: | 2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL, CALCIUM ION, IMIDAZOLE, ... | 著者 | Di Fenza, A, Heine, A, Klebe, G. | 登録日 | 2004-12-02 | 公開日 | 2005-12-13 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions Chemmedchem, 2, 2007
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8BJ4
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![BU of 8bj4 by Molmil](/molmil-images/mine/8bj4) | Crystal structure of Medicago truncatula histidinol-phosphate aminotransferase (HISN6) in apo form | 分子名称: | 1,2-ETHANEDIOL, SODIUM ION, SULFATE ION, ... | 著者 | Rutkiewicz, M, Witek, W, Ruszkowski, M. | 登録日 | 2022-11-03 | 公開日 | 2023-03-22 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Insights into the substrate specificity, structure, and dynamics of plant histidinol-phosphate aminotransferase (HISN6). Plant Physiol Biochem., 196, 2023
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8BJ1
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![BU of 8bj1 by Molmil](/molmil-images/mine/8bj1) | Crystal structure of Medicago truncatula histidinol-phosphate aminotransferase (HISN6) in the open state | 分子名称: | 1,2-ETHANEDIOL, SODIUM ION, SULFATE ION, ... | 著者 | Rutkiewicz, M, Ruszkowski, M. | 登録日 | 2022-11-03 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Insights into the substrate specificity, structure, and dynamics of plant histidinol-phosphate aminotransferase (HISN6). Plant Physiol Biochem., 196, 2023
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5W2E
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![BU of 5w2e by Molmil](/molmil-images/mine/5w2e) | HCV NS5B RNA-dependent RNA polymerase in complex with non-nucleoside inhibitor MK-8876 | 分子名称: | 2-(4-fluorophenyl)-5-(11-fluoro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide, Genome polyprotein | 著者 | Lesburg, C.A, Ummat, A. | 登録日 | 2017-06-06 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Development of a New Structural Class of Broadly Acting HCV Non-Nucleoside Inhibitors Leading to the Discovery of MK-8876. ChemMedChem, 12, 2017
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2HRE
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![BU of 2hre by Molmil](/molmil-images/mine/2hre) | Structure of human ferrochelatase variant E343K with protoporphyrin IX bound | 分子名称: | CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferrochelatase, ... | 著者 | Medlock, A, Swartz, L, Dailey, T.A, Dailey, H.A, Lanzilotta, W.N. | 登録日 | 2006-07-20 | 公開日 | 2007-03-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Substrate interactions with human ferrochelatase Proc.Natl.Acad.Sci.Usa, 104, 2007
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3T9U
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4BTJ
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![BU of 4btj by Molmil](/molmil-images/mine/4btj) | TTBK1 in complex with ATP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, ... | 著者 | Xue, Y, Wan, P, Hillertz, P, Schweikart, F, Zhao, Y, Wissler, L, Dekker, N. | 登録日 | 2013-06-18 | 公開日 | 2013-09-25 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors. Chemmedchem, 8, 2013
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5ONS
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2WOG
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![BU of 2wog by Molmil](/molmil-images/mine/2wog) | Intermediate and final states of human kinesin Eg5 in complex with S-trityl-L-cysteine | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, MAGNESIUM ION, ... | 著者 | Kaan, H.Y.K, Ulaganathan, V, Hackney, D.D, Kozielski, F. | 登録日 | 2009-07-23 | 公開日 | 2010-08-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | An Allosteric Transition Trapped in an Intermediate State of a New Kinesin-Inhibitor Complex. Biochem.J., 425, 2010
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6GF3
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![BU of 6gf3 by Molmil](/molmil-images/mine/6gf3) | Tubulin-Jerantinine B acetate complex | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Smedley, C.J, Stanley, P.A, Qazzaz, M.E, Prota, A.E, Olieric, N, Collins, H, Eastman, H, Barrow, A.S, Lim, K.-H, Kam, T.-S, Smith, B.J, Duivenvoorden, H.M, Parker, B.S, Bradshaw, T.D, Steinmetz, M.O, Moses, J.E. | 登録日 | 2018-04-29 | 公開日 | 2019-05-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Sustainable Syntheses of (-)-Jerantinines A & E and Structural Characterisation of the Jerantinine-Tubulin Complex at the Colchicine Binding Site. Sci Rep, 8, 2018
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1RRO
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![BU of 1rro by Molmil](/molmil-images/mine/1rro) | REFINEMENT OF RECOMBINANT ONCOMODULIN AT 1.30 ANGSTROMS RESOLUTION | 分子名称: | CALCIUM ION, RAT ONCOMODULIN | 著者 | Ahmed, F.R, Rose, D.R, Evans, S.V, Pippy, M.E, To, R. | 登録日 | 1992-08-27 | 公開日 | 1993-10-31 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Refinement of recombinant oncomodulin at 1.30 A resolution. J.Mol.Biol., 230, 1993
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5OJE
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![BU of 5oje by Molmil](/molmil-images/mine/5oje) | Endothiapepsin with Ligand VSK-B24 | 分子名称: | (2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Gierse, R.M, Magari, F, Groves, M.R, Heine, A, Klebe, G, Hirsch, A. | 登録日 | 2017-07-21 | 公開日 | 2018-09-12 | 最終更新日 | 2018-11-21 | 実験手法 | X-RAY DIFFRACTION (1.579 Å) | 主引用文献 | Design and Synthesis of Bioisosteres of Acylhydrazones as Stable Inhibitors of the Aspartic Protease Endothiapepsin. ChemMedChem, 13, 2018
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4BTM
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![BU of 4btm by Molmil](/molmil-images/mine/4btm) | TTBK1 in complex with inhibitor | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, SULFATE ION, ... | 著者 | Xue, Y, Wan, P, Hillertz, P, Schweikart, F, Zhao, Y, Wissler, L, Dekker, N. | 登録日 | 2013-06-18 | 公開日 | 2013-09-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors. Chemmedchem, 8, 2013
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4BTK
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![BU of 4btk by Molmil](/molmil-images/mine/4btk) | TTBK1 in complex with inhibitor | 分子名称: | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, DIMETHYL SULFOXIDE, TAU-TUBULIN KINASE 1 | 著者 | Xue, Y, Wan, P, Hillertz, P, Schweikart, F, Zhao, Y, Wissler, L, Dekker, N. | 登録日 | 2013-06-18 | 公開日 | 2013-09-25 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors. Chemmedchem, 8, 2013
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3H8A
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7Z2I
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![BU of 7z2i by Molmil](/molmil-images/mine/7z2i) | TRYPSIN (BOVINE) COMPLEXED WITH compound 4 | 分子名称: | 5-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | 著者 | Schiering, N, Dalvit, C, Vulpetti, A. | 登録日 | 2022-02-27 | 公開日 | 2022-05-25 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | 主引用文献 | Efficient Screening of Target-Specific Selected Compounds in Mixtures by 19 F NMR Binding Assay with Predicted 19 F NMR Chemical Shifts. Chemmedchem, 17, 2022
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7Z25
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![BU of 7z25 by Molmil](/molmil-images/mine/7z25) | TRYPSIN (BOVINE) COMPLEXED WITH compound 12 | 分子名称: | 2-(5-bromanyl-7-fluoranyl-2-methyl-1H-indol-3-yl)ethanamine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | 著者 | Schiering, N, Dalvit, C, Vulpetti, A. | 登録日 | 2022-02-25 | 公開日 | 2022-05-25 | 最終更新日 | 2022-07-20 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Efficient Screening of Target-Specific Selected Compounds in Mixtures by 19 F NMR Binding Assay with Predicted 19 F NMR Chemical Shifts. Chemmedchem, 17, 2022
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3O5N
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![BU of 3o5n by Molmil](/molmil-images/mine/3o5n) | Tetrahydroquinoline carboxylates are potent inhibitors of the Shank PDZ domain, a putative target in autism disorders | 分子名称: | (3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid, SH3 and multiple ankyrin repeat domains protein 3 | 著者 | Saupe, J, Roske, Y, Schillinger, C, Kamdem, N, Radetzki, S, Diehl, A, Oschkinat, H, Krause, G, Heinemann, U, Rademann, J. | 登録日 | 2010-07-28 | 公開日 | 2011-06-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Discovery, structure-activity relationship studies, and crystal structure of nonpeptide inhibitors bound to the shank3 PDZ domain. Chemmedchem, 6, 2011
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