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2PWX
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BU of 2pwx by Molmil
Crystal structure of G11A mutant of SARS-CoV 3C-like protease
分子名称: 3C-like proteinase
著者Chen, S, Hu, T, Jiang, H, Shen, X.
登録日2007-05-14
公開日2007-10-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mutation of Gly-11 on the dimer interface results in the complete crystallographic dimer dissociation of severe acute respiratory syndrome coronavirus 3C-like protease: crystal structure with molecular dynamics simulations.
J.Biol.Chem., 283, 2008
2QUK
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BU of 2quk by Molmil
Crystal structures of human tryptophanyl-tRNA synthetase in complex with ATP(putative)
分子名称: Tryptophanyl-tRNA synthetase
著者Shen, N, Ding, J.P.
登録日2007-08-06
公開日2008-04-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Catalytic mechanism of the tryptophan activation reaction revealed by crystal structures of human tryptophanyl-tRNA synthetase in different enzymatic states
Nucleic Acids Res., 36, 2008
3F9G
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BU of 3f9g by Molmil
Crystal Structure of the F140A mutant of SARS-Coronovirus 3C-like Protease at pH 6.5
分子名称: 3C-like proteinase
著者Hu, T, Li, L, Jiang, H, Shen, X.
登録日2008-11-13
公開日2009-09-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structure.
Virology, 388, 2009
3F9F
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BU of 3f9f by Molmil
Crystal Structure of the F140A mutant of SARS-Coronovirus 3C-like Protease at pH 6.0
分子名称: 3C-like proteinase
著者Hu, T, Li, L, Jiang, H, Shen, X.
登録日2008-11-13
公開日2009-09-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structure.
Virology, 388, 2009
3F9H
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BU of 3f9h by Molmil
Crystal Structure of the F140A mutant of SARS-Coronovirus 3C-like Protease at pH 7.6
分子名称: 3C-like proteinase
著者Hu, T, Li, L, Jiang, H, Shen, X.
登録日2008-11-13
公開日2009-09-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structure.
Virology, 388, 2009
5Z0S
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BU of 5z0s by Molmil
Crystal structure of FGFR1 kinase domain in complex with a novel inhibitor
分子名称: 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine, Fibroblast growth factor receptor 1
著者Liu, Q, Xu, Y.
登録日2017-12-20
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Based Discovery of a Series of 5H-Pyrrolo[2,3-b]pyrazine FGFR Kinase Inhibitors
Molecules, 23, 2018
3F9E
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BU of 3f9e by Molmil
Crystal Structure of the S139A mutant of SARS-Coronovirus 3C-like Protease
分子名称: 3C-like proteinase
著者Hu, T, Li, L, Jiang, H, Shen, X.
登録日2008-11-13
公開日2009-09-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structure.
Virology, 388, 2009
6IZQ
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BU of 6izq by Molmil
PRMT4 bound with a bicyclic compound
分子名称: (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol, Histone-arginine methyltransferase CARM1
著者Xiong, B, Cao, D.Y, Guo, Z.H, Li, Y.L, Li, J, Huang, X, Shen, J.K.
登録日2018-12-20
公開日2019-12-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.449 Å)
主引用文献Design and Synthesis of Potent, Selective Inhibitors of Protein Arginine Methyltransferase 4 against Acute Myeloid Leukemia.
J.Med.Chem., 62, 2019
4L1B
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BU of 4l1b by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION
著者Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
登録日2013-06-03
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.586 Å)
主引用文献Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
4L2Y
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BU of 4l2y by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha and compound 9d
分子名称: 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
登録日2013-06-05
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
4L23
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BU of 4l23 by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha and PI-103
分子名称: 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
登録日2013-06-04
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
4HUQ
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BU of 4huq by Molmil
Crystal Structure of a transporter
分子名称: Energy-coupling factor transporter ATP-binding protein EcfA 1, Energy-coupling factor transporter ATP-binding protein EcfA 2, Energy-coupling factor transporter transmembrane protein EcfT, ...
著者Zhang, P, Xu, K, Zhang, M, Zhao, Q, Yu, F.
登録日2012-11-03
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.998 Å)
主引用文献Crystal structure of a folate energy-coupling factor transporter from Lactobacillus brevis.
Nature, 497, 2013
5ZVB
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BU of 5zvb by Molmil
APOBEC3F Chimeric Catalytic Domain in Complex with DNA(dT9)
分子名称: APEBEC3F/ssDNA-T9, CACODYLATE ION, DNA (5'-D(*AP*TP*TP*TP*TP*CP*AP*AP*T)-3'), ...
著者Cheng, C, Zhang, T.L, Wang, C.X, Lan, W.X, Ding, J.P, Cao, C.Y.
登録日2018-05-09
公開日2018-11-21
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Cytidine Deaminase Human APOBEC3F Chimeric Catalytic Domain in Complex with DNA
Chin.J.Chem., 36, 2018
5ZVA
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BU of 5zva by Molmil
APOBEC3F Chimeric Catalytic Domain in Complex with DNA(dC9)
分子名称: APEBEC3F/ssDNA-C9, CACODYLATE ION, DNA (5'-D(*AP*TP*TP*TP*TP*CP*AP*AP*CP*T)-3'), ...
著者Cheng, C, Zhang, T.L, Wang, C.X, Lan, W.X, Ding, J.P, Cao, C.Y.
登録日2018-05-09
公開日2018-11-21
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Cytidine Deaminase Human APOBEC3F Chimeric Catalytic Domain in Complex with DNA
Chin.J.Chem., 36, 2018
7ER2
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BU of 7er2 by Molmil
Crystal structure of EGFR 696-1022 T790M/C797S in complex with LS_2_40
分子名称: 5-chloranyl-N2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine, Epidermal growth factor receptor
著者Zhu, S.J, Yun, C.H.
登録日2021-05-05
公開日2022-04-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.662 Å)
主引用文献Optimization of Brigatinib as New Wild-Type Sparing Inhibitors of EGFR T790M/C797S Mutants.
Acs Med.Chem.Lett., 13, 2022
7CE3
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BU of 7ce3 by Molmil
Crystal structure of human IDH3 holoenzyme in APO form.
分子名称: Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, Isocitrate dehydrogenase [NAD] subunit beta, ...
著者Sun, P.K, Ding, J.P.
登録日2020-06-21
公開日2021-01-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.472 Å)
主引用文献Structure and allosteric regulation of human NAD-dependent isocitrate dehydrogenase.
Cell Discov, 6, 2020
5GRH
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BU of 5grh by Molmil
Crystal structure of the alpha gamma heterodimer of human IDH3 in complex with Mg(2+)
分子名称: Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, Isocitrate dehydrogenase [NAD] subunit gamma, ...
著者Ma, T, Peng, Y.
登録日2016-08-11
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular mechanism of the allosteric regulation of the alpha gamma heterodimer of human NAD-dependent isocitrate dehydrogenase.
Sci Rep, 7, 2017
7VRA
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BU of 7vra by Molmil
The crystal structure of EGFR T790M/C797S with the inhibitor HC5476
分子名称: 25-chloro-11-(ethylsulfonyl)-44-morpholino-11H-5,12-dioxa-3-aza-1(3,6)-indola-2(4,2)-pyrimidina-4(1,3)-benzenacyclododecaphane, Epidermal growth factor receptor
著者Zhu, S.J.
登録日2021-10-22
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations.
J.Med.Chem., 65, 2022
7VRE
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BU of 7vre by Molmil
The crystal structure of EGFR T790M/C797S with the inhibitor HCD2892
分子名称: 5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine, Epidermal growth factor receptor
著者Zhu, S.J.
登録日2021-10-22
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.507 Å)
主引用文献Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations.
J.Med.Chem., 65, 2022
3SR9
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BU of 3sr9 by Molmil
Crystal structure of mouse PTPsigma
分子名称: Receptor-type tyrosine-protein phosphatase S
著者Wang, J, Hou, L, Li, J, Ding, J.
登録日2011-07-07
公開日2012-05-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into the homology and differences between mouse protein tyrosine phosphatase-sigma and human protein tyrosine phosphatase-sigma
Acta Biochim.Biophys.Sin., 43, 2011
3CVA
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BU of 3cva by Molmil
Human Bcl-xL containing a Trp to Ala mutation at position 137
分子名称: Apoptosis regulator Bcl-X
著者Feng, Y, Zhang, L, Hu, T, Shen, X, Chen, K, Jiang, H, Liu, D.
登録日2008-04-18
公開日2009-03-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A conserved hydrophobic core at Bcl-x(L) mediates its structural stability and binding affinity with BH3-domain peptide of pro-apoptotic protein
Arch.Biochem.Biophys., 484, 2009
7EJV
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BU of 7ejv by Molmil
The co-crystal structure of DYRK2 with YK-2-69
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone
著者Li, Z, Xiao, Y, Yuan, K, Kuang, W, Xiuquan, Y, Yang, P.
登録日2021-04-02
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting dual-specificity tyrosine phosphorylation-regulated kinase 2 with a highly selective inhibitor for the treatment of prostate cancer.
Nat Commun, 13, 2022
2M0Q
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BU of 2m0q by Molmil
Solution NMR analysis of intact KCNE2 in detergent micelles demonstrate a straight transmembrane helix
分子名称: Potassium voltage-gated channel subfamily E member 2
著者Lai, C, Li, P, Chen, L, Zhang, L, Wu, F, Tian, C.
登録日2012-11-01
公開日2014-04-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Differential modulations of KCNQ1 by auxiliary proteins KCNE1 and KCNE2.
Sci Rep, 4, 2014
5XSU
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BU of 5xsu by Molmil
novel orally efficacious inhibitors complexed with PARP1
分子名称: 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Liu, Q, Xu, Y.
登録日2017-06-15
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
5XST
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BU of 5xst by Molmil
novel orally efficacious inhibitors complexed with PARP1
分子名称: 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Liu, Q, Xu, Y.
登録日2017-06-15
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018

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