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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5ICK
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![BU of 5ick by Molmil](/molmil-images/mine/5ick) | A unique binding model of FXR LBD with feroline | 分子名称: | (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate, Bile acid receptor, Nuclear receptor coactivator 2 | 著者 | Lu, Y, Li, Y. | 登録日 | 2016-02-23 | 公開日 | 2017-03-08 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly Chembiochem, 18, 2017
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5IAW
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![BU of 5iaw by Molmil](/molmil-images/mine/5iaw) | Novel natural FXR modulator with a unique binding mode | 分子名称: | (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | 著者 | Lu, Y, Li, Y. | 登録日 | 2016-02-22 | 公開日 | 2017-03-08 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly Chembiochem, 18, 2017
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8WR4
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![BU of 8wr4 by Molmil](/molmil-images/mine/8wr4) | Structure of CbCas9-PcrIIC1 complex bound to 62-bp DNA substrate (non-targeting complex) | 分子名称: | CbCas9 effector-1, DNA (62-MER), MAGNESIUM ION, ... | 著者 | Zhang, S, Lin, S, Liu, J.J.G. | 登録日 | 2023-10-13 | 公開日 | 2024-06-05 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | 主引用文献 | Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity. Nature, 630, 2024
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8WMH
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![BU of 8wmh by Molmil](/molmil-images/mine/8wmh) | Structure of CbCas9 bound to 6-nucleotide complementary DNA substrate | 分子名称: | NTS, TS, deadCbCas9, ... | 著者 | Zhang, S, Lin, S, Liu, J.J.G. | 登録日 | 2023-10-03 | 公開日 | 2024-06-05 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity. Nature, 630, 2024
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8WMM
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![BU of 8wmm by Molmil](/molmil-images/mine/8wmm) | Structure of CbCas9-PcrIIC1 complex bound to 28-bp DNA substrate (20-nt complementary) | 分子名称: | MAGNESIUM ION, NTS, PcrIIC1, ... | 著者 | Zhang, S, Lin, S, Liu, J.J.G. | 登録日 | 2023-10-04 | 公開日 | 2024-06-05 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | 主引用文献 | Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity. Nature, 630, 2024
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8WMN
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![BU of 8wmn by Molmil](/molmil-images/mine/8wmn) | Structure of CbCas9-PcrIIC1 complex bound to 62-bp DNA substrate (symmetric 20-nt complementary) | 分子名称: | DNA (62-MER), MAGNESIUM ION, PcrIIC1, ... | 著者 | Zhang, S, Lin, S, Liu, J.J.G. | 登録日 | 2023-10-04 | 公開日 | 2024-06-05 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (2.82 Å) | 主引用文献 | Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity. Nature, 630, 2024
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3SP6
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![BU of 3sp6 by Molmil](/molmil-images/mine/3sp6) | Structural basis for iloprost as a dual PPARalpha/delta agonist | 分子名称: | (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma coactivator 1-beta | 著者 | Rong, H, Li, Y. | 登録日 | 2011-07-01 | 公開日 | 2011-07-20 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Structural basis for iloprost as a dual peroxisome proliferator-activated receptor alpha/delta agonist. J.Biol.Chem., 286, 2011
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3SP9
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![BU of 3sp9 by Molmil](/molmil-images/mine/3sp9) | Structural basis for iloprost as a dual PPARalpha/delta agonist | 分子名称: | (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid, Peroxisome proliferator-activated receptor delta | 著者 | Rong, H, Li, Y. | 登録日 | 2011-07-01 | 公開日 | 2011-07-20 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for iloprost as a dual peroxisome proliferator-activated receptor alpha/delta agonist. J.Biol.Chem., 286, 2011
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5WZX
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![BU of 5wzx by Molmil](/molmil-images/mine/5wzx) | Structural basis for a pentacyclic oleanane-type triterpenoid as a ligand of FXR | 分子名称: | (4aR,6aR,6aS,6bS,8aS,9R,12aR,14bR)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanylidene-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, (R,R)-2,3-BUTANEDIOL, Bile acid receptor, ... | 著者 | Lu, Y, Li, Y. | 登録日 | 2017-01-19 | 公開日 | 2018-01-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Identification of an Oleanane-Type Triterpene Hedragonic Acid as a Novel Farnesoid X Receptor Ligand with Liver Protective Effects and Anti-inflammatory Activity Mol. Pharmacol., 93, 2018
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7VWZ
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![BU of 7vwz by Molmil](/molmil-images/mine/7vwz) | Cryo-EM structure of Rob-dependent transcription activation complex in a unique conformation | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | 著者 | Lin, W, Feng, Y, Shi, J. | 登録日 | 2021-11-12 | 公開日 | 2022-06-08 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Structural basis of transcription activation by Rob, a pleiotropic AraC/XylS family regulator. Nucleic Acids Res., 50, 2022
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7VWY
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8IQ0
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![BU of 8iq0 by Molmil](/molmil-images/mine/8iq0) | Crystal structure of hydrogen sulfide-bound superoxide dismutase in oxidized state | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ... | 著者 | Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C. | 登録日 | 2023-03-15 | 公開日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme. Cell Rep, 42, 2023
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8IQ1
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![BU of 8iq1 by Molmil](/molmil-images/mine/8iq1) | Crystal structure of hydrogen sulfide-bound superoxide dismutase in reduced state | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ... | 著者 | Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C. | 登録日 | 2023-03-15 | 公開日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme. Cell Rep, 42, 2023
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5T1T
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![BU of 5t1t by Molmil](/molmil-images/mine/5t1t) | Irak4 kinase - compound 1 co-structure | 分子名称: | Interleukin-1 receptor-associated kinase 4, ~{N},~{N}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine | 著者 | Fischmann, T.O. | 登録日 | 2016-08-22 | 公開日 | 2017-05-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation. Bioorg. Med. Chem. Lett., 27, 2017
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5T1S
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![BU of 5t1s by Molmil](/molmil-images/mine/5t1s) | Irak4 kinase - compound 1 co-structure | 分子名称: | 5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol, Interleukin-1 receptor-associated kinase 4 | 著者 | Fischmann, T.O. | 登録日 | 2016-08-22 | 公開日 | 2017-05-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation. Bioorg. Med. Chem. Lett., 27, 2017
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3ME3
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![BU of 3me3 by Molmil](/molmil-images/mine/3me3) | Activator-Bound Structure of Human Pyruvate Kinase M2 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline, Pyruvate kinase isozymes M1/M2, ... | 著者 | Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC) | 登録日 | 2010-03-31 | 公開日 | 2010-04-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis. Nat.Chem.Biol., 8, 2012
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7LH7
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![BU of 7lh7 by Molmil](/molmil-images/mine/7lh7) | Crystal structure of BCL-XL in complex with a benzothiazole-based inhibitor | 分子名称: | Bcl-2-like protein 1, N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide | 著者 | Judge, R.A, Tao, Z. | 登録日 | 2021-01-21 | 公開日 | 2021-06-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.409 Å) | 主引用文献 | Structure-Based Design of A-1293102, a Potent and Selective BCL-XL Inhibitor ACS Medicinal Chemistry Letters, 12, 2021
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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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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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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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6C6R
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4HVH
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4HVI
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![BU of 4hvi by Molmil](/molmil-images/mine/4hvi) | |