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5SUN
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BU of 5sun by Molmil
IDH1 R132H in complex with IDH146
分子名称: 1,2-ETHANEDIOL, 3-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide, DIMETHYL SULFOXIDE, ...
著者Xie, X, Kulathila, R.
登録日2016-08-03
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.477 Å)
主引用文献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
分子名称: (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, ...
著者Xie, X, Kulathila, R.
登録日2016-08-05
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
5SVO
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BU of 5svo by Molmil
Structure of IDH2 mutant R140Q
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Isocitrate dehydrogenase [NADP], mitochondrial, ...
著者Xie, X, Kulathila, R.
登録日2016-08-06
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献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
分子名称: DI(HYDROXYETHYL)ETHER, Isocitrate dehydrogenase [NADP], mitochondrial, ...
著者Xie, X, Kulathila, R.
登録日2016-08-06
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
4XKL
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BU of 4xkl by Molmil
Crystal structure of NDP52 ZF2 in complex with mono-ubiquitin
分子名称: ACETATE ION, Calcium-binding and coiled-coil domain-containing protein 2, GLYCEROL, ...
著者Xie, X, Li, F, Wang, Y, Lin, Z, Chen, X, Liu, J, Pan, L.
登録日2015-01-12
公開日2015-11-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2
Autophagy, 11, 2015
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
分子名称: sorcin
著者Xie, X.
登録日2001-08-24
公開日2002-01-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: C-JUN N-TERMINAL KINASE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Xie, X, Su, M.S.-S.
登録日1998-06-03
公開日1999-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of JNK3: a kinase implicated in neuronal apoptosis.
Structure, 6, 1998
1TAF
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BU of 1taf by Molmil
DROSOPHILA TBP ASSOCIATED FACTORS DTAFII42/DTAFII62 HETEROTETRAMER
分子名称: TFIID TBP ASSOCIATED FACTOR 42, TFIID TBP ASSOCIATED FACTOR 62, ZINC ION
著者Xie, X, Kokubo, T, Cohen, S.L, Mirza, U.A, Hoffmann, A, Chait, B.T, Roeder, R.G, Nakatani, Y, Burley, S.K.
登録日1996-06-01
公開日1996-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: GRAMICIDIN A, MINI-GRAMICIDIN A, SUCCINIC ACID
著者Xie, X, Al-Momani, L, Bockelmann, D, Griesinger, C, Koert, U.
登録日2004-06-09
公開日2004-07-13
最終更新日2019-09-25
実験手法SOLUTION NMR
主引用文献An Asymmetric Ion Channel Derived from Gramicidin A. Synthesis, Function and NMR Structure.
FEBS J., 272, 2005
6KR4
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BU of 6kr4 by Molmil
Crystal structure of the liprin-alpha3_SAM123/LAR_D1D2 complex
分子名称: HEXAETHYLENE GLYCOL, Liprin-alpha-3, PHOSPHATE ION, ...
著者Xie, X, Liang, M, Luo, L, Wei, Z.
登録日2019-08-20
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural basis of liprin-alpha-promoted LAR-RPTP clustering for modulation of phosphatase activity.
Nat Commun, 11, 2020
5WDY
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BU of 5wdy by Molmil
Crystal structure of WNK1 in complex with 1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine (compound 6)
分子名称: 1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Xie, X, Kohls, D.
登録日2017-07-06
公開日2017-08-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.458 Å)
主引用文献Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
J. Med. Chem., 60, 2017
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
分子名称: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, ERK2, SULFATE ION
著者Xie, X.
登録日1998-06-08
公開日1999-06-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A single amino acid substitution makes ERK2 susceptible to pyridinyl imidazole inhibitors of p38 MAP kinase.
Protein Sci., 7, 1998
1SCM
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BU of 1scm by Molmil
STRUCTURE OF THE REGULATORY DOMAIN OF SCALLOP MYOSIN AT 2.8 ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, MYOSIN ESSENTIAL LIGHT CHAIN, MYOSIN HEAVY CHAIN, ...
著者Cohen, C, Xie, X.
登録日1994-01-06
公開日1994-04-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the regulatory domain of scallop myosin at 2.8 A resolution.
Nature, 368, 1994
5TF9
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BU of 5tf9 by Molmil
Crystal structure of WNK1 in complex with Mn2+AMPPNP and WNK476
分子名称: CALCIUM ION, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Xie, X, Gunawan, J.
登録日2016-09-24
公開日2016-10-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery and Characterization of Allosteric WNK Kinase Inhibitors.
ACS Chem. Biol., 11, 2016
2MXP
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BU of 2mxp by Molmil
Solution structure of NDP52 ubiquitin-binding zinc finger
分子名称: Calcium-binding and coiled-coil domain-containing protein 2, ZINC ION
著者Pan, L, Xie, X.
登録日2015-01-12
公開日2015-11-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2
Autophagy, 11, 2015
3G90
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BU of 3g90 by Molmil
JNK-3 bound to (Z)-5-fluoro-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)indolin-2-one
分子名称: (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
著者Xie, X, Jacobs, M.D.
登録日2009-02-12
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
6B0Z
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BU of 6b0z by Molmil
IDH1 R132H mutant in complex with IDH305
分子名称: (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, ...
著者Xie, X, Kulathila, R.
登録日2017-09-15
公開日2017-11-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.334 Å)
主引用文献Discovery and Evaluation of Clinical Candidate IDH305, a Brain Penetrant Mutant IDH1 Inhibitor.
ACS Med Chem Lett, 8, 2017
5TQH
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BU of 5tqh by Molmil
IDH1 R132H mutant in complex with IDH889
分子名称: (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, ...
著者Xie, X, Kulathila, R.
登録日2016-10-24
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Allosteric and Mutant Specific Inhibitors of IDH1.
ACS Med Chem Lett, 8, 2017
2OJG
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BU of 2ojg by Molmil
Crystal structure of ERK2 in complex with N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
分子名称: Mitogen-activated protein kinase 1, N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
著者Xie, X, Jacobs, M.D.
登録日2007-01-12
公開日2007-02-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJI
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BU of 2oji by Molmil
Crystal structure of ERK2 in complex with N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
分子名称: Mitogen-activated protein kinase 1, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
著者Xie, X, Jacobs, M.D.
登録日2007-01-12
公開日2007-02-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OK1
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BU of 2ok1 by Molmil
Crystal structure of JNK3 bound to N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
分子名称: Mitogen-activated protein kinase 10, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
著者Xie, X, Jacobs, M.D.
登録日2007-01-15
公開日2007-02-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJJ
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BU of 2ojj by Molmil
Crystal structure of ERK2 in complex with (S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
分子名称: (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, Mitogen-activated protein kinase 1, SULFATE ION
著者Xie, X, Jacobs, M.D.
登録日2007-01-12
公開日2007-02-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
5WE8
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BU of 5we8 by Molmil
Crystal structure of WNK1 in complex with N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide (compound 8)
分子名称: MANGANESE (II) ION, N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Xie, X, Kohls, D.
登録日2017-07-07
公開日2017-08-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
J. Med. Chem., 60, 2017
3SUZ
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BU of 3suz by Molmil
Crystal structure of Rat Mint2 PPC
分子名称: Amyloid beta A4 precursor protein-binding family A member 2
著者Shen, Y, Long, J, Yan, X, Xie, X.
登録日2011-07-11
公開日2012-07-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Open-closed motion of Mint2 regulates APP metabolism
J Mol Cell Biol, 5, 2013
3SV1
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BU of 3sv1 by Molmil
Crystal structure of APP peptide bound rat Mint2 PARM
分子名称: Amyloid beta A4 precursor protein-binding family A member 2, Amyloid beta A4 protein
著者Shen, Y, Long, J, Yan, X, Xie, X.
登録日2011-07-12
公開日2012-07-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Open-closed motion of Mint2 regulates APP metabolism
J Mol Cell Biol, 5, 2013

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