3NAD
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![BU of 3nad by Molmil](/molmil-images/mine/3nad) | Crystal Structure of Phenolic Acid Decarboxylase from Bacillus pumilus UI-670 | 分子名称: | Ferulate decarboxylase, SULFATE ION | 著者 | Matte, A, Grosse, S, Bergeron, H, Abokitse, K, Lau, P.C.K. | 登録日 | 2010-06-01 | 公開日 | 2010-11-10 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Structural analysis of Bacillus pumilus phenolic acid decarboxylase, a lipocalin-fold enzyme. Acta Crystallogr.,Sect.F, 66, 2010
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3UNW
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![BU of 3unw by Molmil](/molmil-images/mine/3unw) | Crystal Structure of Human GAC in Complex with Glutamate | 分子名称: | GLUTAMIC ACID, Glutaminase kidney isoform, mitochondrial | 著者 | DeLaBarre, B, Gross, S, Cheng, F, Gao, Y, Jha, A, Jiang, F, Song, J.J, Wie, W, Hurov, J. | 登録日 | 2011-11-16 | 公開日 | 2011-12-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Full-length human glutaminase in complex with an allosteric inhibitor. Biochemistry, 50, 2011
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3UO9
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![BU of 3uo9 by Molmil](/molmil-images/mine/3uo9) | Crystal Structure of Human GAC in Complex with Glutamate and BPTES | 分子名称: | GLYCEROL, Glutaminase kidney isoform, mitochondrial, ... | 著者 | DeLaBarre, B, Gross, S, Cheng, F, Gao, Y, Jha, A, Jiang, F, Song, J.J, Wei, W, Hurov, J.B. | 登録日 | 2011-11-16 | 公開日 | 2011-12-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Full-length human glutaminase in complex with an allosteric inhibitor. Biochemistry, 50, 2011
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8FU3
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![BU of 8fu3 by Molmil](/molmil-images/mine/8fu3) | Structure Of Respiratory Syncytial Virus Polymerase with Novel Non-Nucleoside Inhibitor | 分子名称: | 8-methoxy-3-methyl-N-{(2S)-3,3,3-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-hydroxypropyl}cinnoline-6-carboxamide, Phosphoprotein, RNA-directed RNA polymerase L | 著者 | Yu, X, Abeywickrema, P, Bonneux, B, Behera, I, Jacoby, E, Fung, A, Adhikary, S, Bhaumik, A, Carbajo, R.J, Bruyn, S.D, Miller, R, Patrick, A, Pham, Q, Piassek, M, Verheyen, N, Shareef, A, Sutto-Ortiz, P, Ysebaert, N, Vlijmen, H.V, Jonckers, T.H.M, Herschke, F, McLellan, J.S, Decroly, E, Fearns, R, Grosse, S, Roymans, D, Sharma, S, Rigaux, P, Jin, Z. | 登録日 | 2023-01-16 | 公開日 | 2023-11-01 | 実験手法 | ELECTRON MICROSCOPY (2.88 Å) | 主引用文献 | Structural and mechanistic insights into the inhibition of respiratory syncytial virus polymerase by a non-nucleoside inhibitor. Commun Biol, 6, 2023
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4UMY
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![BU of 4umy by Molmil](/molmil-images/mine/4umy) | IDH1 R132H in complex with cpd 1 | 分子名称: | GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | McLean, L, Zhang, Y, Mathieu, M. | 登録日 | 2014-05-22 | 公開日 | 2014-11-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule. J.Biol.Chem., 290, 2015
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4UMX
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![BU of 4umx by Molmil](/molmil-images/mine/4umx) | IDH1 R132H in complex with cpd 1 | 分子名称: | 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol, GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, ... | 著者 | Mathieu, M, Marquette, J.P. | 登録日 | 2014-05-22 | 公開日 | 2014-11-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule. J.Biol.Chem., 290, 2015
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4G1N
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![BU of 4g1n by Molmil](/molmil-images/mine/4g1n) | PKM2 in complex with an activator | 分子名称: | MAGNESIUM ION, N-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide, OXALATE ION, ... | 著者 | Kung, C, Hixon, J, Dang, L, DeLaBarre, B, Qian, K.C. | 登録日 | 2012-07-10 | 公開日 | 2012-10-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Small Molecule Activation of PKM2 in Cancer Cells Induces Serine Auxotrophy. Chem.Biol., 19, 2012
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5I96
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![BU of 5i96 by Molmil](/molmil-images/mine/5i96) | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor. | 分子名称: | 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol, ACETATE ION, CALCIUM ION, ... | 著者 | Wei, W, Zhang, B, Jin, L, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | 登録日 | 2016-02-19 | 公開日 | 2017-03-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations. Cancer Discov, 7, 2017
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5I95
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![BU of 5i95 by Molmil](/molmil-images/mine/5i95) | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid | 分子名称: | 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ... | 著者 | Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | 登録日 | 2016-02-19 | 公開日 | 2017-03-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations. Cancer Discov, 7, 2017
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7RWG
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![BU of 7rwg by Molmil](/molmil-images/mine/7rwg) | "Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-43192 | 分子名称: | (8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Jin, L, Padyana, A.K. | 登録日 | 2021-08-19 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | 主引用文献 | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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7RW5
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![BU of 7rw5 by Molmil](/molmil-images/mine/7rw5) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 1 | 分子名称: | (3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | 著者 | Jin, L, Padyana, A.K. | 登録日 | 2021-08-19 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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7RWH
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![BU of 7rwh by Molmil](/molmil-images/mine/7rwh) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-41998 | 分子名称: | 1,2-ETHANEDIOL, 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol, CHLORIDE ION, ... | 著者 | Jin, L, Padyana, A.K. | 登録日 | 2021-08-19 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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7RW7
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![BU of 7rw7 by Molmil](/molmil-images/mine/7rw7) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 9 | 分子名称: | (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Jin, L, Padyana, A.K. | 登録日 | 2021-08-19 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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4JA8
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![BU of 4ja8 by Molmil](/molmil-images/mine/4ja8) | Complex of Mitochondrial Isocitrate Dehydrogenase R140Q Mutant with AGI-6780 Inhibitor | 分子名称: | 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea, CALCIUM ION, GLYCEROL, ... | 著者 | Wei, W, Chen, L, Wu, M, Jiang, F, Travins, J, Qian, K, DeLaBarre, B. | 登録日 | 2013-02-18 | 公開日 | 2013-04-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Targeted inhibition of mutant IDH2 in leukemia cells induces cellular differentiation. Science, 340, 2013
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3GWD
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![BU of 3gwd by Molmil](/molmil-images/mine/3gwd) | |
3INM
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![BU of 3inm by Molmil](/molmil-images/mine/3inm) | Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase R132H mutant in complex with NADPH, ALPHA-KETOGLUTARATE and CALCIUM(2+) | 分子名称: | 2-OXOGLUTARIC ACID, CALCIUM ION, GLYCEROL, ... | 著者 | Fontano, E, Brown, R.S, Suto, R.K, Bhyravbhatla, B. | 登録日 | 2009-08-12 | 公開日 | 2009-11-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Cancer-associated IDH1 mutations produce 2-hydroxyglutarate. Nature, 462, 2009
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3GWF
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![BU of 3gwf by Molmil](/molmil-images/mine/3gwf) | |
4I59
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![BU of 4i59 by Molmil](/molmil-images/mine/4i59) | |
4I58
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![BU of 4i58 by Molmil](/molmil-images/mine/4i58) | |
3TV4
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![BU of 3tv4 by Molmil](/molmil-images/mine/3tv4) | Human B-Raf Kinase Domain in Complex with an Bromopyridine Benzamide Inhibitor | 分子名称: | N-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf | 著者 | Voegtli, W.C, Selby, L.T, Wu, W.-I. | 登録日 | 2011-09-19 | 公開日 | 2011-10-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors. ACS Med Chem Lett, 2, 2011
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3TV6
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![BU of 3tv6 by Molmil](/molmil-images/mine/3tv6) | Human B-Raf Kinase Domain in Complex with a Methoxypyrazolopyridinyl Benzamide Inhibitor | 分子名称: | 2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf | 著者 | Voegtli, W.C, Sturgis, H.L, Wu, W.-I. | 登録日 | 2011-09-19 | 公開日 | 2011-10-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors. ACS Med Chem Lett, 2, 2011
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6C6P
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![BU of 6c6p by Molmil](/molmil-images/mine/6c6p) | Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and NB-598 | 分子名称: | (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Padyana, A.K, Jin, L. | 登録日 | 2018-01-19 | 公開日 | 2019-01-16 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase. Nat Commun, 10, 2019
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6C6N
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![BU of 6c6n by Molmil](/molmil-images/mine/6c6n) | |
6C6R
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![BU of 6c6r by Molmil](/molmil-images/mine/6c6r) | |
4CK5
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![BU of 4ck5 by Molmil](/molmil-images/mine/4ck5) | Pseudo-atomic model of microtubule-bound human kinesin-5 motor domain in the ADP state, based on cryo-electron microscopy experiment. | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Goulet, A, Major, J, Jun, Y, Gross, S, Rosenfeld, S, Moores, C. | 登録日 | 2013-12-30 | 公開日 | 2014-02-05 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (10 Å) | 主引用文献 | Comprehensive Structural Model of the Mechanochemical Cycle of a Mitotic Motor Highlights Molecular Adaptations in the Kinesin Family. Proc.Natl.Acad.Sci.USA, 111, 2014
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