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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
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
7WNV
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BU of 7wnv by Molmil
Crystal structure of mutant estrogen receptor alpha Y537S in complex with CO9
分子名称: (~{Z})-4-[2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethylamino]-~{N},~{N}-dimethyl-but-2-enamide, Estrogen receptor
著者Xiao, Y, Lv, Y.
登録日2022-01-19
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray crystallography study and optimization of novel benzothiophene analogs as potent selective estrogen receptor covalent antagonists (SERCAs) with improved potency and safety profiles.
Bioorg.Chem., 141, 2023
8H0R
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BU of 8h0r by Molmil
Crystal structure of a cataract-causing crystallin mutant (mouse CRYBB1 Y202X)
分子名称: Beta-crystallin B1B
著者Jing, X, Gong, P.
登録日2022-09-30
公開日2023-07-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.201 Å)
主引用文献Cataract-causing Y204X mutation of crystallin protein CRY beta B1 promotes its C-terminal degradation and higher-order oligomerization.
J.Biol.Chem., 299, 2023
2QBS
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BU of 2qbs by Molmil
Crystal structure of ptp1b-inhibitor complex
分子名称: 4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
著者Xu, W.
登録日2007-06-18
公開日2008-03-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
2QBQ
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BU of 2qbq by Molmil
Crystal structure of ptp1b-inhibitor complex
分子名称: 4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[(3,3,5,5-TETRAMETHYLCYCLOHEXYL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
著者Xu, W.
登録日2007-06-18
公開日2008-03-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
2QBR
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BU of 2qbr by Molmil
Crystal structure of ptp1b-inhibitor complex
分子名称: 5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
著者Xu, W.
登録日2007-06-18
公開日2008-03-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
2QBP
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BU of 2qbp by Molmil
Crystal structure of ptp1b-inhibitor complex
分子名称: 5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
著者Xu, W.
登録日2007-06-18
公開日2008-03-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
8JFL
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BU of 8jfl by Molmil
PhK holoenzyme in active state, muscle isoform
分子名称: ADENOSINE-5'-DIPHOSPHATE, FARNESYL, Phosphorylase b kinase gamma catalytic chain, ...
著者Yang, X.K, Xiao, J.Y.
登録日2023-05-18
公開日2024-04-03
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Architecture and activation of human muscle phosphorylase kinase.
Nat Commun, 15, 2024
8JFK
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BU of 8jfk by Molmil
PhK holoenzyme in inactive state, muscle isoform
分子名称: Calmodulin-1, FARNESYL, Phosphorylase b kinase gamma catalytic chain, ...
著者Yang, X.K, Xiao, J.Y.
登録日2023-05-18
公開日2024-04-03
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Architecture and activation of human muscle phosphorylase kinase.
Nat Commun, 15, 2024
6KX3
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BU of 6kx3 by Molmil
Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin
分子名称: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
著者Zhang, H, Luo, C.
登録日2019-09-09
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
6KX2
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BU of 6kx2 by Molmil
Crystal structure of GDP bound RhoA protein
分子名称: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA
著者Zhang, H, Luo, C.
登録日2019-09-09
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.454 Å)
主引用文献Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
7Y6D
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BU of 7y6d by Molmil
Cryo-EM structure of SARS-CoV-2 Delta variant spike proteins on intact virions: 3 Closed RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Xu, J, Song, Y, Li, S.
登録日2022-06-20
公開日2023-06-07
実験手法ELECTRON MICROSCOPY (4.39 Å)
主引用文献In situ architecture and membrane fusion of SARS-CoV-2 Delta variant.
Proc.Natl.Acad.Sci.USA, 120, 2023
7ELG
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BU of 7elg by Molmil
LC3B modificated with a covalent probe
分子名称: 2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione, Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION
著者Fan, S, Wan, W.
登録日2021-04-10
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Inhibition of Autophagy by a Small Molecule through Covalent Modification of the LC3 Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
7XYO
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BU of 7xyo by Molmil
Crystal Structure of a M61 aminopeptidase family member from Myxococcus fulvus
分子名称: Aminopeptidase M61, HEXAETHYLENE GLYCOL, TETRAETHYLENE GLYCOL, ...
著者Chen, X, Wang, X, Huo, L, Wu, D.
登録日2022-06-02
公開日2023-06-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery and Characterization of a Myxobacterial Lanthipeptide with Unique Biosynthetic Features and Anti-inflammatory Activity.
J.Am.Chem.Soc., 145, 2023
1GP7
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BU of 1gp7 by Molmil
Acidic Phospholipase A2 from venom of Ophiophagus Hannah
分子名称: CALCIUM ION, PHOSPHOLIPASE A2
著者Zhang, H, Lin, Z.
登録日2001-10-30
公開日2002-10-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of a Cardiotoxic Phospholipase A(2) from Ophiophagus Hannah with the "Pancreatic Loop"
J.Struct.Biol., 138, 2002
4O1V
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BU of 4o1v by Molmil
SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer
分子名称: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, Speckle-type POZ protein
著者Calabrese, M.F, Watson, E.R, Schulman, B.A.
登録日2013-12-16
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer.
Cancer Cell, 25, 2014
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