3S1X
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![BU of 3s1x by Molmil](/molmil-images/mine/3s1x) | Transaldolase from Thermoplasma acidophilum in complex with D-sedoheptulose 7-phosphate Schiff-base intermediate | 分子名称: | D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, Probable transaldolase | 著者 | Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K. | 登録日 | 2011-05-16 | 公開日 | 2011-08-24 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism. Nat.Chem.Biol., 7, 2011
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3S0C
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![BU of 3s0c by Molmil](/molmil-images/mine/3s0c) | Transaldolase wt of Thermoplasma acidophilum | 分子名称: | GLYCEROL, Probable transaldolase | 著者 | Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K. | 登録日 | 2011-05-13 | 公開日 | 2011-08-24 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism. Nat.Chem.Biol., 7, 2011
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3S1W
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![BU of 3s1w by Molmil](/molmil-images/mine/3s1w) | Transaldolase variant Lys86Ala from Thermoplasma acidophilum in complex with glycerol and citrate | 分子名称: | CITRATE ANION, GLYCEROL, Probable transaldolase | 著者 | Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K. | 登録日 | 2011-05-16 | 公開日 | 2011-08-24 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism. Nat.Chem.Biol., 7, 2011
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3S1V
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![BU of 3s1v by Molmil](/molmil-images/mine/3s1v) | Transaldolase from Thermoplasma acidophilum in complex with D-fructose 6-phosphate Schiff-base intermediate | 分子名称: | FRUCTOSE -6-PHOSPHATE, GLYCEROL, Probable transaldolase | 著者 | Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K. | 登録日 | 2011-05-16 | 公開日 | 2011-08-24 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism. Nat.Chem.Biol., 7, 2011
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5NPA
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![BU of 5npa by Molmil](/molmil-images/mine/5npa) | Solution structure of Drosophila melanogaster Loquacious dsRBD2 | 分子名称: | Loquacious | 著者 | Tants, J.-N, Fesser, S, Kern, T, Stehle, R, Geerlof, A, Wunderlich, C, Boettcher, R, Kunzelmann, S, Lange, O, Kreutz, C, Foerstemann, K, Sattler, M. | 登録日 | 2017-04-16 | 公開日 | 2017-10-04 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Molecular basis for asymmetry sensing of siRNAs by the Drosophila Loqs-PD/Dcr-2 complex in RNA interference. Nucleic Acids Res., 45, 2017
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5NPG
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![BU of 5npg by Molmil](/molmil-images/mine/5npg) | Solution structure of Drosophila melanogaster Loquacious dsRBD1 | 分子名称: | Loquacious, isoform F | 著者 | Tants, J.-N, Fesser, S, Kern, T, Stehle, R, Geerlof, A, Wunderlich, C, Hartlmuller, C, Boettcher, R, Kunzelmann, S, Lange, O, Kreutz, C, Foerstemann, K, Sattler, M. | 登録日 | 2017-04-16 | 公開日 | 2017-10-04 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Molecular basis for asymmetry sensing of siRNAs by the Drosophila Loqs-PD/Dcr-2 complex in RNA interference. Nucleic Acids Res., 45, 2017
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4FEE
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![BU of 4fee by Molmil](/molmil-images/mine/4fee) | High-resolution structure of pyruvate oxidase in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate carbanion-enamine, crystal B | 分子名称: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Meyer, D, Neumann, P, Koers, E, Sjuts, H, Luedtke, S, Sheldrick, G.M, Ficner, R, Tittmann, K. | 登録日 | 2012-05-30 | 公開日 | 2012-06-20 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Unexpected tautomeric equilibria of the carbanion-enamine intermediate in pyruvate oxidase highlight unrecognized chemical versatility of thiamin. Proc.Natl.Acad.Sci.USA, 109, 2012
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4FEG
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![BU of 4feg by Molmil](/molmil-images/mine/4feg) | High-resolution structure of pyruvate oxidase in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate carbanion-enamine, crystal A | 分子名称: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Meyer, D, Neumann, P, Koers, E, Sjuts, H, Luedtke, S, Sheldrick, G.M, Ficner, R, Tittmann, K. | 登録日 | 2012-05-30 | 公開日 | 2012-06-20 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | 主引用文献 | Unexpected tautomeric equilibria of the carbanion-enamine intermediate in pyruvate oxidase highlight unrecognized chemical versatility of thiamin. Proc.Natl.Acad.Sci.USA, 109, 2012
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8PZ3
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![BU of 8pz3 by Molmil](/molmil-images/mine/8pz3) | |
8Q00
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![BU of 8q00 by Molmil](/molmil-images/mine/8q00) | TssM-Ub-PA complex - A USP-like DUB from B. pseudomallei (193-430) reacted with Ub-PA | 分子名称: | 1,2-ETHANEDIOL, CITRATE ANION, Polyubiquitin-B, ... | 著者 | Uthoff, M, Hermanns, T, Hofmann, K, Baumann, U. | 登録日 | 2023-07-27 | 公開日 | 2023-12-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | The structural basis for deubiquitination by the fingerless USP-type effector TssM. Life Sci Alliance, 7, 2024
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2D1F
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![BU of 2d1f by Molmil](/molmil-images/mine/2d1f) | Structure of Mycobacterium tuberculosis threonine synthase | 分子名称: | PYRIDOXAL-5'-PHOSPHATE, Threonine synthase | 著者 | Covarrubias, A.S, Bergfors, T, Mannerstedt, K, Oscarson, S, Jones, T.A, Mowbray, S.L, Hogbom, M. | 登録日 | 2005-08-20 | 公開日 | 2006-09-05 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural, biochemical, and in vivo investigations of the threonine synthase from Mycobacterium tuberculosis. J.Mol.Biol., 381, 2008
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6TJ9
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![BU of 6tj9 by Molmil](/molmil-images/mine/6tj9) | Escherichia coli transketolase in complex with cofactor analog 2'-methoxythiamine and substrate xylulose 5-phosphate | 分子名称: | 1,2-ETHANEDIOL, 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 5-O-phosphono-D-xylulose, ... | 著者 | Rabe von Pappenheim, F, Tittmann, K. | 登録日 | 2019-11-25 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | 主引用文献 | Structural basis for antibiotic action of the B 1 antivitamin 2'-methoxy-thiamine. Nat.Chem.Biol., 16, 2020
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6EI1
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![BU of 6ei1 by Molmil](/molmil-images/mine/6ei1) | Crystal structure of the covalent complex between deubiquitinase ZUFSP (ZUP1) and Ubiquitin-PA | 分子名称: | GLYCEROL, MALONATE ION, Polyubiquitin-B, ... | 著者 | Pichlo, C, Baumann, U, Hofmann, K, Hermanns, T. | 登録日 | 2017-09-16 | 公開日 | 2018-03-07 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (1.732 Å) | 主引用文献 | A family of unconventional deubiquitinases with modular chain specificity determinants. Nat Commun, 9, 2018
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2EZ9
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![BU of 2ez9 by Molmil](/molmil-images/mine/2ez9) | Pyruvate oxidase variant F479W in complex with reaction intermediate analogue 2-phosphonolactyl-thiamin diphosphate | 分子名称: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | 著者 | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | 登録日 | 2005-11-10 | 公開日 | 2006-04-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography. Nat.Chem.Biol., 2, 2006
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2EZ8
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![BU of 2ez8 by Molmil](/molmil-images/mine/2ez8) | Pyruvate oxidase variant F479W in complex with reaction intermediate 2-lactyl-thiamin diphosphate | 分子名称: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | 著者 | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | 登録日 | 2005-11-10 | 公開日 | 2006-04-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.963 Å) | 主引用文献 | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography. Nat.Chem.Biol., 2, 2006
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2EZT
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![BU of 2ezt by Molmil](/molmil-images/mine/2ezt) | Pyruvate oxidase variant F479W in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate | 分子名称: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | 著者 | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | 登録日 | 2005-11-10 | 公開日 | 2006-04-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography. Nat.Chem.Biol., 2, 2006
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6TJ8
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![BU of 6tj8 by Molmil](/molmil-images/mine/6tj8) | Escherichia coli transketolase in complex with cofactor analog 2'-methoxythiamine diphosphate | 分子名称: | 1,2-ETHANEDIOL, 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, ... | 著者 | Rabe von Pappenheim, F, Tittmann, K. | 登録日 | 2019-11-25 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (0.921 Å) | 主引用文献 | Structural basis for antibiotic action of the B 1 antivitamin 2'-methoxy-thiamine. Nat.Chem.Biol., 16, 2020
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2EZU
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![BU of 2ezu by Molmil](/molmil-images/mine/2ezu) | Pyruvate oxidase variant F479W in complex with reaction intermediate 2-acetyl-thiamin diphosphate | 分子名称: | 2-ACETYL-THIAMINE DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | 著者 | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | 登録日 | 2005-11-10 | 公開日 | 2006-04-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography. Nat.Chem.Biol., 2, 2006
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2EZ4
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![BU of 2ez4 by Molmil](/molmil-images/mine/2ez4) | Pyruvate oxidase variant F479W | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | 登録日 | 2005-11-10 | 公開日 | 2006-04-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography. Nat.Chem.Biol., 2, 2006
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4AE4
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![BU of 4ae4 by Molmil](/molmil-images/mine/4ae4) | The UBAP1 subunit of ESCRT-I interacts with ubiquitin via a novel SOUBA domain | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, POTASSIUM ION, ... | 著者 | Agromayor, M, Soler, N, Caballe, A, Kueck, T, Freund, S.M, Allen, M.D, Bycroft, M, Perisic, O, Ye, Y, McDonald, B, Scheel, H, Hofmann, K, Neil, S.J.D, Martin-Serrano, J, Williams, R.L. | 登録日 | 2012-01-06 | 公開日 | 2012-03-21 | 最終更新日 | 2018-02-28 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The UBAP1 subunit of ESCRT-I interacts with ubiquitin via a SOUBA domain. Structure, 20, 2012
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4AXA
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![BU of 4axa by Molmil](/molmil-images/mine/4axa) | Structure of PKA-PKB chimera complexed with (1S)-2-amino-1-(4- chlorophenyl)-1-(4-(1H-pyrazol-4-yl)phenyl)ethan-1-ol | 分子名称: | (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA | 著者 | Davies, T.G, Yap, T.A, Walton, M.I, Grimshaw, K.M, tePoele, R.H, Eve, P.D, Valenti, M.R, deHavenBrandon, A.K, Martins, V, Zetterlund, A, Heaton, S.P, Heinzmann, K, Jones, P.S, Feltell, R.E, Reule, M, Woodhead, S.J, Lyons, J.F, Raynaud, F.I, Eccles, S.A, Workman, P, Thompson, N.T, Garrett, M.D. | 登録日 | 2012-06-12 | 公開日 | 2012-07-25 | 最終更新日 | 2013-02-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | At13148 is a Novel, Oral Multi-Agc Kinase Inhibitor with Potent Pharmacodynamic and Antitumor Activity. Clin.Cancer Res., 18, 2012
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3ZGD
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![BU of 3zgd by Molmil](/molmil-images/mine/3zgd) | crystal structure of a KEAP1 mutant | 分子名称: | ACETATE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, SODIUM ION | 著者 | Hoerer, S, Reinert, D, Ostmann, K, Hoevels, Y, Nar, H. | 登録日 | 2012-12-17 | 公開日 | 2013-06-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Crystal-Contact Engineering to Obtain a Crystal Form of the Kelch Domain of Human Keap1 Suitable for Ligand-Soaking Experiments. Acta Crystallogr.,Sect.F, 69, 2013
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3ZGC
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![BU of 3zgc by Molmil](/molmil-images/mine/3zgc) | crystal structure of the KEAP1-NEH2 complex | 分子名称: | ACETATE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, NUCLEAR FACTOR ERYTHROID 2-RELATED FACTOR 2 | 著者 | Hoerer, S, Reinert, D, Ostmann, K, Hoevels, Y, Nar, H. | 登録日 | 2012-12-17 | 公開日 | 2013-06-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal-Contact Engineering to Obtain a Crystal Form of the Kelch Domain of Human Keap1 Suitable for Ligand-Soaking Experiments. Acta Crystallogr.,Sect.F, 69, 2013
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6FFL
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![BU of 6ffl by Molmil](/molmil-images/mine/6ffl) | Maltose/maltodextrin-binding domain MalE from Bdellovibrio bacteriovorus bound to maltotriose | 分子名称: | Maltose/maltodextrin transport permease homologue, PLATINUM (II) ION, SULFATE ION, ... | 著者 | Licht, A, Werther, T, Bommer, M, Neumann, K, Schneider, E. | 登録日 | 2018-01-08 | 公開日 | 2018-01-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.707 Å) | 主引用文献 | Structural and functional characterization of a maltose/maltodextrin ABC transporter comprising a single solute binding domain (MalE) fused to the transmembrane subunit MalF. Res. Microbiol., 170, 2018
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3L9H
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![BU of 3l9h by Molmil](/molmil-images/mine/3l9h) | X-ray structure of mitotic kinesin-5 (KSP, KIF11, Eg5)in complex with the hexahydro-2H-pyrano[3,2-c]quinoline EMD 534085 | 分子名称: | 1-[2-(dimethylamino)ethyl]-3-{[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl}urea, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11 | 著者 | Knoechel, T. | 登録日 | 2010-01-05 | 公開日 | 2010-03-02 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The discovery and optimization of hexahydro-2H-pyrano[3,2-c]quinolines (HHPQs) as potent and selective inhibitors of the mitotic kinesin-5. Bioorg.Med.Chem.Lett., 20, 2010
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