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6J36
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CRYSTAL STRUCTURE OF MYCOPLASMA HYOPNEUMONIAE ENOLASE
分子名称:Enolase, GLYCEROL, SULFATE ION
著者Chen, R., Zhang, S., Gan, R., Xie, X., Feng, Z., Wang, W., Ran, T., Zhang, W., Xiang, Q., Shao, G.
登録日2019-01-04
公開日2019-05-15
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Featured Species-Specific Loops Are Found in the Crystal Structure ofMhpEno, a Cell Surface Adhesin FromMycoplasma hyopneumoniae.
Front Cell Infect Microbiol, 9, 2019
6IUI
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CRYSTAL STRUCTURE OF GIT1 PBD DOMAIN IN COMPLEX WITH PAXILLIN LD4 MOTIF
分子名称:ARF GTPase-activating protein GIT1, Paxillin
著者Liang, M., Wei, Z.
登録日2018-11-28
公開日2019-03-06
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of the target-binding mode of the G protein-coupled receptor kinase-interacting protein in the regulation of focal adhesion dynamics.
J. Biol. Chem., 294, 2019
6A7U
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CRYSTAL STRUCTURE OF HISTONE H2A.BBD-H2B DIMER
分子名称:Histone H2B type 2-E,Histone H2A-Bbd type 2/3
著者Dai, L., Zhou, Z.
登録日2018-07-04
公開日2019-02-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the histone heterodimer containing histone variant H2A.Bbd.
Biochem. Biophys. Res. Commun., 503, 2018
6IUH
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CRYSTAL STRUCTURE OF GIT1 PBD DOMAIN IN COMPLEX WITH LIPRIN-ALPHA2
分子名称:ARF GTPase-activating protein GIT1, Liprin-alpha-2, IODIDE ION
著者Liang, M., Wei, Z.
登録日2018-11-28
公開日2019-02-20
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of the target-binding mode of the G protein-coupled receptor kinase-interacting protein in the regulation of focal adhesion dynamics.
J. Biol. Chem., 294, 2019
5Z7A
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CRYSTAL STRUCTURE OF NDP52 SKICH REGION
分子名称:Calcium-binding and coiled-coil domain-containing protein 2, SULFATE ION, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
著者Pan, L.F., Fu, T., Liu, J.P., Xie, X.Q.
登録日2018-01-27
公開日2019-01-02
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Mechanistic insights into the interactions of NAP1 with the SKICH domains of NDP52 and TAX1BP1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5Z7G
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CRYSTAL STRUCTURE OF TAX1BP1 SKICH REGION IN COMPLEX WITH NAP1
分子名称:Tax1-binding protein 1, 5-azacytidine-induced protein 2, GLYCEROL
著者Pan, L.F., Fu, T., Liu, J.P., Xie, X.Q., Wang, Y.L., Hu, S.C.
登録日2018-01-28
公開日2019-01-02
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Mechanistic insights into the interactions of NAP1 with the SKICH domains of NDP52 and TAX1BP1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5Z7L
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CRYSTAL STRUCTURE OF NDP52 SKICH REGION IN COMPLEX WITH NAP1
分子名称:Calcium-binding and coiled-coil domain-containing protein 2, 5-azacytidine-induced protein 2, GLYCEROL
著者Fu, T., Pan, L.F.
登録日2018-01-29
公開日2019-01-02
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Mechanistic insights into the interactions of NAP1 with the SKICH domains of NDP52 and TAX1BP1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EG2
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CRYSTAL STRUCTURE OF HUMAN BRM IN COMPLEX WITH COMPOUND 16
分子名称: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, ISOPROPYL ALCOHOL
著者Zhu, X., Kulathila, R., Hu, T., Xie, X.
登録日2018-08-17
公開日2018-10-31
最終更新日2018-12-05
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献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
6EG3
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CRYSTAL STRUCTURE OF HUMAN BRM IN COMPLEX WITH COMPOUND 15
分子名称:Maltose/maltodextrin-binding periplasmic protein,Probable global transcription activator SNF2L2, 3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid, ETHANOL
著者Zhu, X., Kulathila, R., Hu, T., Xie, X.
登録日2018-08-17
公開日2018-10-31
最終更新日2018-12-05
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献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
6AKX
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THE CRYSTAL STRUCTURE OF HUMAN CHEMOKINE RECEPTOR CCR5 IN COMPLEX WITH COMPOUND 21
分子名称:C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, ZINC ION, NITRATE ION, ...
著者Zhu, Y., Zhao, Q., Wu, B.
登録日2018-09-04
公開日2018-10-24
最終更新日2018-11-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
6AKY
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THE CRYSTAL STRUCTURE OF HUMAN CHEMOKINE RECEPTOR CCR5 IN COMPLEX WITH COMPOUND 34
分子名称:C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, ZINC ION, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
著者Zhu, Y., Zhao, Q., Wu, B.
登録日2018-09-04
公開日2018-10-24
最終更新日2018-11-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
6B0Z
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IDH1 R132H MUTANT IN COMPLEX WITH IDH305
分子名称:Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (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, ...
著者Xie, X., Kulathila, R.
登録日2017-09-15
公開日2017-11-08
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
5WDY
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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:Serine/threonine-protein kinase WNK1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, 1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine, ...
著者Xie, X., Kohls, D.
登録日2017-07-06
公開日2017-08-16
最終更新日2017-09-06
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
5WE8
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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:Serine/threonine-protein kinase WNK1, MANGANESE (II) ION, 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2017-09-06
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
5SUN
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IDH1 R132H IN COMPLEX WITH IDH146
分子名称:Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide, ...
著者Xie, X., Kulathila, R.
登録日2016-08-03
公開日2017-02-08
最終更新日2017-03-22
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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IDH1 R132H IN COMPLEX WITH IDH125
分子名称:Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (4S)-3-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one, ...
著者Xie, X., Kulathila, R.
登録日2016-08-05
公開日2017-02-08
最終更新日2017-03-22
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
5SVN
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STRUCTURE OF IDH2 MUTANT R172K
分子名称:Isocitrate dehydrogenase [NADP], mitochondrial, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Xie, X., Kulathila, R.
登録日2016-08-06
公開日2017-02-08
最終更新日2017-03-22
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
5SVO
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STRUCTURE OF IDH2 MUTANT R140Q
分子名称:Isocitrate dehydrogenase [NADP], mitochondrial, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Xie, X., Kulathila, R.
登録日2016-08-06
公開日2017-02-08
最終更新日2017-03-22
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
5TQH
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IDH1 R132H MUTANT IN COMPLEX WITH IDH889
分子名称:Isocitrate dehydrogenase [NADP] cytoplasmic, CITRATE ANION, (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, ...
著者Xie, X., Kulathila, R.
登録日2016-10-24
公開日2017-01-25
最終更新日2017-03-01
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
5TPY
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CRYSTAL STRUCTURE OF AN EXONUCLEASE RESISTANT RNA FROM ZIKA VIRUS
分子名称:RNA (71-MER), MAGNESIUM ION, HEXANE-1,6-DIOL
著者Akiyama, B.M., Laurence, H.M., Massey, A.R., Costantino, D.A., Xie, X., Yang, Y., Shi, P.-Y., Nix, J.C., Beckham, J.D., Kieft, J.S.
登録日2016-10-21
公開日2016-12-14
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (2.805 Å)
主引用文献Zika virus produces noncoding RNAs using a multi-pseudoknot structure that confounds a cellular exonuclease.
Science, 354, 2016
5TF9
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CRYSTAL STRUCTURE OF WNK1 IN COMPLEX WITH MN2+AMPPNP AND WNK476
分子名称:Serine/threonine-protein kinase WNK1, {2-[(4-chlorophenyl)methoxy]phenyl}{5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydro-1H-indol-1-yl}methanone, 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2016-12-28
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
5EOA
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CRYSTAL STRUCTURE OF OPTN E50K MUTANT AND TBK1 COMPLEX
分子名称:Optineurin, Serine/threonine-protein kinase TBK1
著者Li, F., Xie, X., Liu, J., Pan, L.
登録日2015-11-10
公開日2016-09-28
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins.
Nat Commun, 7, 2016
5EOF
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CRYSTAL STRUCTURE OF OPTN NTD AND TBK1 CTD COMPLEX
分子名称:Optineurin, Serine/threonine-protein kinase TBK1
著者Li, F., Xie, X., Liu, J., Pan, L.
登録日2015-11-10
公開日2016-09-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins.
Nat Commun, 7, 2016
5EP6
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THE CRYSTAL STRUCTURE OF NAP1 IN COMPLEX WITH TBK1
分子名称:5-azacytidine-induced protein 2, Serine/threonine-protein kinase TBK1, GLYCEROL
著者Li, F., Xie, X., Liu, J., Pan, L.
登録日2015-11-11
公開日2016-09-28
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins.
Nat Commun, 7, 2016
5DRB
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CRYSTAL STRUCTURE OF WNK1 IN COMPLEX WITH WNK463
分子名称:Serine/threonine-protein kinase WNK1, N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide
著者Kohls, D., Xie, X.
登録日2015-09-15
公開日2016-09-07
最終更新日2016-11-02
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Small-molecule WNK inhibition regulates cardiovascular and renal function.
Nat.Chem.Biol., 12, 2016