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: | 2024-10-30 | | 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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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
 | | 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: | 2025-03-26 | | 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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1JUO
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1JNK
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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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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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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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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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9DTQ
 | | The structure of HDAC2-CoREST in complex with KBTBD4R313PRR mutant | | Descriptor: | Histone deacetylase 2, INOSITOL HEXAKISPHOSPHATE, Kelch repeat and BTB domain-containing protein 4, ... | | Authors: | Xie, X, Liau, B, Zheng, N. | | Deposit date: | 2024-10-01 | | Release date: | 2024-11-27 | | Last modified: | 2025-06-11 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Converging mechanism of UM171 and KBTBD4 neomorphic cancer mutations.
Nature, 639, 2025
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8VPQ
 | | The structure of LSD1-CoREST-HDAC1 in complex with KBTBD4IPR310delinsTTYML | | Descriptor: | Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, Isoform 2 of Kelch repeat and BTB domain-containing protein 4, ... | | Authors: | Xie, X, Liau, B, Zheng, N. | | Deposit date: | 2024-01-16 | | Release date: | 2024-11-27 | | Last modified: | 2025-06-11 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Converging mechanism of UM171 and KBTBD4 neomorphic cancer mutations.
Nature, 639, 2025
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8VRT
 | | The structure of LSD1-CoREST-HDAC1 in complex with KBTBD4R313PRR mutant | | Descriptor: | Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, Kelch repeat and BTB domain-containing protein 4, ... | | Authors: | Xie, X, Liau, B, Zheng, N. | | Deposit date: | 2024-01-22 | | Release date: | 2024-11-27 | | Last modified: | 2025-06-11 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Converging mechanism of UM171 and KBTBD4 neomorphic cancer mutations.
Nature, 639, 2025
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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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5TF9
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1SCM
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1PME
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9JI7
 | | NADP-dependent oxidoreductase complexed with NADP and substrate 2 | | Descriptor: | (1Z,3E,5E,7S,8R,9S,10S,11R,13R,15S,16Z,18E,24S)-11-ethyl-2,7-dihydroxy-10-methyl-21,25-diazatetracyclo[22.2.1.08,15.09,13]heptacosa-1,3,5,16,18-pentaene-20,26,27-trione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent oxidoreductase | | Authors: | Li, Y, Zhu, D, Xie, X, Li, F, Lu, M. | | Deposit date: | 2024-09-11 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structural Basis for Medium-Chain Dehydrogenase/Reductase-Catalyzed Reductive Cyclization in Polycyclic Tetramate Macrolactam Biosynthesis.
J.Am.Chem.Soc., 147, 2025
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9JML
 | | NADP-dependent oxidoreductase complexed with NADP and substrate 1 | | Descriptor: | (1Z,3Z,5Z,7S,8R,9S,10S,11R,13R,15R,16Z,18Z,24S)-11-ethyl-2,7-dihydroxy-10-methyl-21,25-diazatetracyclo[22.2.1.08,15.09,13]heptacosa-1,3,5,16,18-pentaene-20,26,27-trione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent oxidoreductase | | Authors: | Li, Y, Zhu, D, Xie, X, Li, F, Lu, M. | | Deposit date: | 2024-09-20 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural Basis for Medium-Chain Dehydrogenase/Reductase-Catalyzed Reductive Cyclization in Polycyclic Tetramate Macrolactam Biosynthesis.
J.Am.Chem.Soc., 147, 2025
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9JP8
 | | NADP-dependent oxidoreductase | | Descriptor: | NADP-dependent oxidoreductase, SULFATE ION, UNKNOWN LIGAND | | Authors: | Li, Y, Zhu, D, Xie, X, Li, F, Lu, M. | | Deposit date: | 2024-09-25 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for Medium-Chain Dehydrogenase/Reductase-Catalyzed Reductive Cyclization in Polycyclic Tetramate Macrolactam Biosynthesis.
J.Am.Chem.Soc., 147, 2025
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9JLY
 | | NADP-dependent oxidoreductase complexed with NADP | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent oxidoreductase | | Authors: | Li, Y, Zhu, D, Xie, X, Li, F, Lu, M. | | Deposit date: | 2024-09-19 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Structural Basis for Medium-Chain Dehydrogenase/Reductase-Catalyzed Reductive Cyclization in Polycyclic Tetramate Macrolactam Biosynthesis.
J.Am.Chem.Soc., 147, 2025
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9JJ4
 | | NADP-dependent oxidoreductase complexed with NADP and substrate 1a | | Descriptor: | (1Z,3E,5S,7S,8R,9S,10S,11R,13R,15R,16S,18Z,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-20,27,28-trione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent oxidoreductase | | Authors: | Li, Y, Zhu, D, Xie, X, Li, F, Lu, M. | | Deposit date: | 2024-09-12 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis for Medium-Chain Dehydrogenase/Reductase-Catalyzed Reductive Cyclization in Polycyclic Tetramate Macrolactam Biosynthesis.
J.Am.Chem.Soc., 147, 2025
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9JLK
 | | NADP-dependent oxidoreductase | | Descriptor: | NADP-dependent oxidoreductase | | Authors: | Li, Y, Zhu, D, Xie, X, Li, F, Lu, M. | | Deposit date: | 2024-09-19 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structural Basis for Medium-Chain Dehydrogenase/Reductase-Catalyzed Reductive Cyclization in Polycyclic Tetramate Macrolactam Biosynthesis.
J.Am.Chem.Soc., 147, 2025
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9JM9
 | | NADP-dependent oxidoreductase complexed with NADP and substrate 3 | | Descriptor: | (1Z,3E,5E,7R,8S,10R,11R,12S,15S,16E,18E,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.07,15.08,12]octacosa-1,3,5,13,16,18-hexaene-20,27,28-trione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent oxidoreductase | | Authors: | Li, Y, Zhu, D, Xie, X, Li, F, Lu, M. | | Deposit date: | 2024-09-20 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (3.38 Å) | | Cite: | Structural Basis for Medium-Chain Dehydrogenase/Reductase-Catalyzed Reductive Cyclization in Polycyclic Tetramate Macrolactam Biosynthesis.
J.Am.Chem.Soc., 147, 2025
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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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2MXP
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