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4XKL
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BU of 4xkl by Molmil
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
1TAF
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BU of 1taf by Molmil
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
1TKQ
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BU of 1tkq by Molmil
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
1JUO
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BU of 1juo by Molmil
Crystal Structure of Calcium-free Human Sorcin: A Member of the Penta-EF-Hand Protein Family
Descriptor: sorcin
Authors:Xie, X.
Deposit date:2001-08-24
Release date:2002-01-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of calcium-free human sorcin: a member of the penta-EF-hand protein family.
Protein Sci., 10, 2001
1JNK
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BU of 1jnk by Molmil
THE C-JUN N-TERMINAL KINASE (JNK3S) COMPLEXED WITH MGAMP-PNP
Descriptor: C-JUN N-TERMINAL KINASE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Xie, X, Su, M.S.-S.
Deposit date:1998-06-03
Release date:1999-06-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of JNK3: a kinase implicated in neuronal apoptosis.
Structure, 6, 1998
5SVO
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BU of 5svo by Molmil
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
5SVN
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BU of 5svn by Molmil
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
5SUN
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BU of 5sun by Molmil
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
5SVF
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BU of 5svf by Molmil
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
9DTQ
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BU of 9dtq by Molmil
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
8VPQ
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BU of 8vpq by Molmil
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
8VRT
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BU of 8vrt by Molmil
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
6KR4
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BU of 6kr4 by Molmil
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
5TF9
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BU of 5tf9 by Molmil
Crystal structure of WNK1 in complex with Mn2+AMPPNP and WNK476
Descriptor: CALCIUM ION, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Xie, X, Gunawan, J.
Deposit date:2016-09-24
Release date:2016-10-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery and Characterization of Allosteric WNK Kinase Inhibitors.
ACS Chem. Biol., 11, 2016
1SCM
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BU of 1scm by Molmil
STRUCTURE OF THE REGULATORY DOMAIN OF SCALLOP MYOSIN AT 2.8 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, MYOSIN ESSENTIAL LIGHT CHAIN, MYOSIN HEAVY CHAIN, ...
Authors:Cohen, C, Xie, X.
Deposit date:1994-01-06
Release date:1994-04-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the regulatory domain of scallop myosin at 2.8 A resolution.
Nature, 368, 1994
1PME
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BU of 1pme by Molmil
STRUCTURE OF PENTA MUTANT HUMAN ERK2 MAP KINASE COMPLEXED WITH A SPECIFIC INHIBITOR OF HUMAN P38 MAP KINASE
Descriptor: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, ERK2, SULFATE ION
Authors:Xie, X.
Deposit date:1998-06-08
Release date:1999-06-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:A single amino acid substitution makes ERK2 susceptible to pyridinyl imidazole inhibitors of p38 MAP kinase.
Protein Sci., 7, 1998
9JI7
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BU of 9ji7 by Molmil
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
9JML
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BU of 9jml by Molmil
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
9JP8
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BU of 9jp8 by Molmil
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
9JLY
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BU of 9jly by Molmil
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
9JJ4
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BU of 9jj4 by Molmil
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
9JLK
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BU of 9jlk by Molmil
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
9JM9
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BU of 9jm9 by Molmil
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
5TQH
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BU of 5tqh by Molmil
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
2MXP
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BU of 2mxp by Molmil
Solution structure of NDP52 ubiquitin-binding zinc finger
Descriptor: Calcium-binding and coiled-coil domain-containing protein 2, ZINC ION
Authors:Pan, L, Xie, X.
Deposit date:2015-01-12
Release date:2015-11-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2
Autophagy, 11, 2015

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