5SUN
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![BU of 5sun by Molmil](/molmil-images/mine/5sun) | IDH1 R132H in complex with IDH146 | Descriptor: | 1,2-ETHANEDIOL, 3-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide, DIMETHYL SULFOXIDE, ... | Authors: | Xie, X, Kulathila, R. | Deposit date: | 2016-08-03 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.477 Å) | Cite: | Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity. Structure, 25, 2017
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5WE8
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![BU of 5we8 by Molmil](/molmil-images/mine/5we8) | |
1PME
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![BU of 1pme by Molmil](/molmil-images/mine/1pme) | |
1JNK
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![BU of 1jnk by Molmil](/molmil-images/mine/1jnk) | |
1JUO
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![BU of 1juo by Molmil](/molmil-images/mine/1juo) | |
4XKL
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![BU of 4xkl by Molmil](/molmil-images/mine/4xkl) | Crystal structure of NDP52 ZF2 in complex with mono-ubiquitin | Descriptor: | ACETATE ION, Calcium-binding and coiled-coil domain-containing protein 2, GLYCEROL, ... | Authors: | Xie, X, Li, F, Wang, Y, Lin, Z, Chen, X, Liu, J, Pan, L. | Deposit date: | 2015-01-12 | Release date: | 2015-11-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2 Autophagy, 11, 2015
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3G90
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1TAF
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![BU of 1taf by Molmil](/molmil-images/mine/1taf) | DROSOPHILA TBP ASSOCIATED FACTORS DTAFII42/DTAFII62 HETEROTETRAMER | Descriptor: | TFIID TBP ASSOCIATED FACTOR 42, TFIID TBP ASSOCIATED FACTOR 62, ZINC ION | Authors: | Xie, X, Kokubo, T, Cohen, S.L, Mirza, U.A, Hoffmann, A, Chait, B.T, Roeder, R.G, Nakatani, Y, Burley, S.K. | Deposit date: | 1996-06-01 | Release date: | 1996-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural similarity between TAFs and the heterotetrameric core of the histone octamer. Nature, 380, 1996
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1TKQ
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![BU of 1tkq by Molmil](/molmil-images/mine/1tkq) | SOLUTION STRUCTURE OF A LINKED UNSYMMETRIC GRAMICIDIN IN A MEMBRANE-ISOELECTRICAL SOLVENTS MIXTURE IN THE PRESENCE OF CsCl | Descriptor: | GRAMICIDIN A, MINI-GRAMICIDIN A, SUCCINIC ACID | Authors: | Xie, X, Al-Momani, L, Bockelmann, D, Griesinger, C, Koert, U. | Deposit date: | 2004-06-09 | Release date: | 2004-07-13 | Last modified: | 2019-09-25 | Method: | SOLUTION NMR | Cite: | An Asymmetric Ion Channel Derived from Gramicidin A. Synthesis, Function and NMR Structure. FEBS J., 272, 2005
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5TF9
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6B0Z
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![BU of 6b0z by Molmil](/molmil-images/mine/6b0z) | IDH1 R132H mutant in complex with IDH305 | Descriptor: | (4R)-4-[(1S)-1-fluoroethyl]-3-[2-({(1S)-1-[4-methyl-2'-(trifluoromethyl)[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one, CITRATE ANION, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Xie, X, Kulathila, R. | Deposit date: | 2017-09-15 | Release date: | 2017-11-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.334 Å) | Cite: | Discovery and Evaluation of Clinical Candidate IDH305, a Brain Penetrant Mutant IDH1 Inhibitor. ACS Med Chem Lett, 8, 2017
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5TQH
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![BU of 5tqh by Molmil](/molmil-images/mine/5tqh) | IDH1 R132H mutant in complex with IDH889 | Descriptor: | (4S)-3-[2-({(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl}amino)pyrimidin-4-yl]-4-(propan-2-yl)-1,3-oxazolidin-2-one, CITRATE ANION, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Xie, X, Kulathila, R. | Deposit date: | 2016-10-24 | Release date: | 2017-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Allosteric and Mutant Specific Inhibitors of IDH1. ACS Med Chem Lett, 8, 2017
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5SVN
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![BU of 5svn by Molmil](/molmil-images/mine/5svn) | Structure of IDH2 mutant R172K | Descriptor: | DI(HYDROXYETHYL)ETHER, Isocitrate dehydrogenase [NADP], mitochondrial, ... | Authors: | Xie, X, Kulathila, R. | Deposit date: | 2016-08-06 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity. Structure, 25, 2017
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5SVF
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![BU of 5svf by Molmil](/molmil-images/mine/5svf) | IDH1 R132H in complex with IDH125 | Descriptor: | (4S)-3-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one, CITRATE ANION, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Xie, X, Kulathila, R. | Deposit date: | 2016-08-05 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity. Structure, 25, 2017
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5SVO
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![BU of 5svo by Molmil](/molmil-images/mine/5svo) | Structure of IDH2 mutant R140Q | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Isocitrate dehydrogenase [NADP], mitochondrial, ... | Authors: | Xie, X, Kulathila, R. | Deposit date: | 2016-08-06 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity. Structure, 25, 2017
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2OJG
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2OJJ
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2OJI
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2OK1
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![BU of 2ok1 by Molmil](/molmil-images/mine/2ok1) | |
4IEH
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5WDY
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![BU of 5wdy by Molmil](/molmil-images/mine/5wdy) | |
6KR4
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![BU of 6kr4 by Molmil](/molmil-images/mine/6kr4) | Crystal structure of the liprin-alpha3_SAM123/LAR_D1D2 complex | Descriptor: | HEXAETHYLENE GLYCOL, Liprin-alpha-3, PHOSPHATE ION, ... | Authors: | Xie, X, Liang, M, Luo, L, Wei, Z. | Deposit date: | 2019-08-20 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural basis of liprin-alpha-promoted LAR-RPTP clustering for modulation of phosphatase activity. Nat Commun, 11, 2020
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6XVD
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![BU of 6xvd by Molmil](/molmil-images/mine/6xvd) | Crystal structure of complex of urokinase and a upain-1 variant(W3F) in pH7.4 condition | Descriptor: | Urokinase-type plasminogen activator, upain-1-W3F | Authors: | Xue, G.P, Xie, X, Zhou, Y, Yuan, C, Huang, M.D, Jiang, L.G. | Deposit date: | 2020-01-21 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Insight to the residue in P2 position prevents the peptide inhibitor from being hydrolyzed by serine proteases. Biosci.Biotechnol.Biochem., 84, 2020
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6EG3
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![BU of 6eg3 by Molmil](/molmil-images/mine/6eg3) | Crystal structure of human BRM in complex with compound 15 | Descriptor: | 3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid, ETHANOL, Maltose/maltodextrin-binding periplasmic protein,Probable global transcription activator SNF2L2 | Authors: | Zhu, X, Kulathila, R, Hu, T, Xie, X. | Deposit date: | 2018-08-17 | Release date: | 2018-10-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Discovery of Orally Active Inhibitors of Brahma Homolog (BRM)/SMARCA2 ATPase Activity for the Treatment of Brahma Related Gene 1 (BRG1)/SMARCA4-Mutant Cancers. J. Med. Chem., 61, 2018
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6EG2
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![BU of 6eg2 by Molmil](/molmil-images/mine/6eg2) | Crystal structure of human BRM in complex with compound 16 | Descriptor: | ISOPROPYL ALCOHOL, Maltose/maltodextrin-binding periplasmic protein,Probable global transcription activator SNF2L2, N-(5-amino-2-chloropyridin-4-yl)-N'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea | Authors: | Zhu, X, Kulathila, R, Hu, T, Xie, X. | Deposit date: | 2018-08-17 | Release date: | 2018-10-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Discovery of Orally Active Inhibitors of Brahma Homolog (BRM)/SMARCA2 ATPase Activity for the Treatment of Brahma Related Gene 1 (BRG1)/SMARCA4-Mutant Cancers. J. Med. Chem., 61, 2018
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