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9BER
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BU of 9ber by Molmil
Cryo-EM structure of the HIV-1 JR-FL IDL Env trimer in complex with PGT122 Fab
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, Envelope glycoprotein gp120, ...
著者Gorman, J, Kwong, P.D.
登録日2024-04-16
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Design of soluble HIV-1 envelope trimers free of covalent gp120-gp41 bonds with prevalent native-like conformation.
Cell Rep, 43, 2024
9BF6
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BU of 9bf6 by Molmil
Cryo-EM structure of the HIV-1 WITO IDL Env trimer in complex with PGT122 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, Envelope glycoprotein gp41, ...
著者Gorman, J, Kwong, P.D.
登録日2024-04-16
公開日2024-07-31
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Design of soluble HIV-1 envelope trimers free of covalent gp120-gp41 bonds with prevalent native-like conformation.
Cell Rep, 43, 2024
7Y7M
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BU of 7y7m by Molmil
The structure of coxsackievirus A16 mature virion in complex with Fab 8C4
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Cong, Y, Liu, C.X.
登録日2022-06-22
公開日2022-08-24
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Molecular mechanism of antibody neutralization of coxsackievirus A16.
Nat Commun, 13, 2022
6W51
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BU of 6w51 by Molmil
Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H
分子名称: Beta-2-microglobulin, Cellular tumor antigen p53 peptide, Immunoglobulin heavy chain H2, ...
著者Wright, K.M, Gabelli, S.B.
登録日2020-03-12
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献Targeting a neoantigen derived from a common TP53 mutation.
Science, 371, 2021
8E7B
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BU of 8e7b by Molmil
Crystal structure of the p53 (Y107H) core domain monoclinic P form
分子名称: Cellular tumor antigen p53, ZINC ION
著者Lovell, S, Liu, L, Battaile, K.P, Miller, S, Karanicolas, J.
登録日2022-08-23
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An African-Specific Variant of TP53 Reveals PADI4 as a Regulator of p53-Mediated Tumor Suppression.
Cancer Discov, 13, 2023
8E7A
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BU of 8e7a by Molmil
Crystal structure of the p53 (Y107H) core domain orthorhombic P form
分子名称: Cellular tumor antigen p53, ZINC ION
著者Lovell, S, Liu, L, Battaile, K.P, Miller, S, Karanicolas, J.
登録日2022-08-23
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献An African-Specific Variant of TP53 Reveals PADI4 as a Regulator of p53-Mediated Tumor Suppression.
Cancer Discov, 13, 2023
6OE8
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BU of 6oe8 by Molmil
The crystal structure of hyper-thermostable AgUricase mutant K12C/E286C
分子名称: MALONATE ION, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ...
著者Shi, Y, Wang, T, Zhou, X.E, Liu, Q, Jiang, Y, Xu, H.E.
登録日2019-03-27
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure-based design of a hyperthermostable AgUricase for hyperuricemia and gout therapy.
Acta Pharmacol.Sin., 40, 2019
4U97
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BU of 4u97 by Molmil
Crystal Structure of Asymmetric IRAK4 Dimer
分子名称: Interleukin-1 receptor-associated kinase 4, STAUROSPORINE, SULFATE ION
著者Ferrao, R, Wu, H.
登録日2014-08-05
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献IRAK4 Dimerization and trans-Autophosphorylation Are Induced by Myddosome Assembly.
Mol.Cell, 55, 2014
1EQ0
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BU of 1eq0 by Molmil
SOLUTION STRUCTURE OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE COMPLEXED WITH MGAMPPCP
分子名称: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
著者Shi, G, Yan, H.
登録日2000-03-30
公開日2001-11-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Unusual conformational changes in 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase as revealed by X-ray crystallography and NMR.
J.Biol.Chem., 276, 2001
1EQM
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BU of 1eqm by Molmil
CRYSTAL STRUCTURE OF BINARY COMPLEX OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE WITH ADENOSINE-5'-DIPHOSPHATE
分子名称: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Xiao, B, Blaszczyk, J, Ji, X.
登録日2000-04-05
公開日2001-04-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Unusual conformational changes in 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase as revealed by X-ray crystallography and NMR.
J.Biol.Chem., 276, 2001
4XT9
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BU of 4xt9 by Molmil
RORgamma (263-509) complexed with GSK2435341A and SRC2
分子名称: LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, N-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
著者Wang, Y, Ma, Y.
登録日2015-01-23
公開日2015-08-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as potent ROR gamma t inverse agonists
Bioorg.Med.Chem., 23, 2015
4MMG
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BU of 4mmg by Molmil
crystal structure of YafQ mutant H87Q from E.coli
分子名称: SULFATE ION, mRNA interferase YafQ
著者Liang, Y.J, Gao, Z.Q, Liu, Q.S, Dong, Y.H.
登録日2013-09-09
公開日2014-06-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Functional Characterization of Escherichia coli Toxin-Antitoxin Complex DinJ-YafQ
J.Biol.Chem., 289, 2014
4ML0
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BU of 4ml0 by Molmil
Crystal structure of E.coli DinJ-YafQ complex
分子名称: Predicted antitoxin of YafQ-DinJ toxin-antitoxin system, Predicted toxin of the YafQ-DinJ toxin-antitoxin system, SULFATE ION
著者Liang, Y.J, Gao, Z.Q, Liu, Q.S, Dong, Y.H.
登録日2013-09-06
公開日2014-06-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Functional Characterization of Escherichia coli Toxin-Antitoxin Complex DinJ-YafQ
J.Biol.Chem., 289, 2014
4ML2
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BU of 4ml2 by Molmil
Crystal structure of wild-type YafQ
分子名称: SULFATE ION, mRNA interferase YafQ
著者Liang, Y.J, Gao, Z.Q, Liu, Q.S, Dong, Y.H.
登録日2013-09-06
公開日2014-06-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Functional Characterization of Escherichia coli Toxin-Antitoxin Complex DinJ-YafQ
J.Biol.Chem., 289, 2014
4GG5
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BU of 4gg5 by Molmil
Crystal structure of CMET in complex with novel inhibitor
分子名称: 3-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine, Hepatocyte growth factor receptor
著者Liu, Q.F, Chen, T.T, Xu, Y.C.
登録日2012-08-05
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.423 Å)
主引用文献Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
5GTY
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BU of 5gty by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26
分子名称: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2016-08-23
公開日2017-09-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.
Oncotarget, 8, 2017
3IPY
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BU of 3ipy by Molmil
X-Ray structure of Human Deoxycytidine Kinase in complex with an inhibitor
分子名称: 4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine, D-MALATE, Deoxycytidine kinase
著者Tari, L.W, Swanson, R.V, Hunter, M, Hoffman, I, Stouch, T.R, Carson, K.G.
登録日2009-08-18
公開日2010-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3IPX
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BU of 3ipx by Molmil
X-Ray structure of Human Deoxycytidine Kinase in complex with ADP and an inhibitor
分子名称: 2'-deoxy-5-fluorocytidine, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, ...
著者Tari, L.W, Swanson, R.V, Hunter, M, Hoffman, I, Stouch, T.R, Carson, K.G.
登録日2009-08-18
公開日2010-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
5IFG
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BU of 5ifg by Molmil
Crystal structure of HigA-HigB complex from E. Coli
分子名称: Antitoxin HigA, mRNA interferase HigB
著者Yang, J.S, Zhou, K, Gao, z.Q, Liu, Q.S, Dong, Y.H.
登録日2016-02-26
公開日2017-03-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Structural insight into the E. coli HigBA complex
Biochem. Biophys. Res. Commun., 478, 2016
4GG7
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BU of 4gg7 by Molmil
Crystal structure of cMET in complex with novel inhibitor
分子名称: Hepatocyte growth factor receptor, N-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine
著者Liu, Q.F, Chen, T.T, Xu, Y.C.
登録日2012-08-06
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
7YNX
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BU of 7ynx by Molmil
Crystal structure of Pirh2 bound to poly-Ala peptide
分子名称: RING finger and CHY zinc finger domain-containing protein 1, SODIUM ION, SULFATE ION, ...
著者Dong, C, Yan, X, Li, Y.
登録日2022-08-01
公開日2023-04-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Recognition of an Ala-rich C-degron by the E3 ligase Pirh2.
Nat Commun, 14, 2023
2GH2
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BU of 2gh2 by Molmil
1.5 A Resolution R. Norvegicus Cysteine Dioxygenase Structure Crystallized in the Presence of Cysteine
分子名称: Cysteine dioxygenase type I, FE (III) ION, SULFATE ION
著者Simmons, C.R, Karplus, P.A, Stipanuk, M.H.
登録日2006-03-24
公開日2006-04-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Mammalian Cysteine Dioxygenase: A NOVEL MONONUCLEAR IRON CENTER FOR CYSTEINE THIOL OXIDATION.
J.Biol.Chem., 281, 2006
8X7V
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BU of 8x7v by Molmil
Structure of human SCMC ternary complex
分子名称: Maltose/maltodextrin-binding periplasmic protein,NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ...
著者Chi, P, Ou, G, Liu, S, Lu, Y, Li, J.H, Li, J.L, Wang, X, Deng, D.
登録日2023-11-26
公開日2024-10-09
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Cryo-EM structure of the human subcortical maternal complex and the associated discovery of infertility-associated variants.
Nat.Struct.Mol.Biol., 2024
8X7W
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BU of 8x7w by Molmil
Structure of dimeric human SCMC complex
分子名称: Maltose/maltodextrin-binding periplasmic protein,NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ...
著者Chi, P, Ou, G, Liu, S, Lu, Y, Li, J, Li, J, Wang, X, Deng, D.
登録日2023-11-26
公開日2024-10-09
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献Cryo-EM structure of the human subcortical maternal complex and the associated discovery of infertility-associated variants.
Nat.Struct.Mol.Biol., 2024
7L97
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BU of 7l97 by Molmil
Crystal structure of STAMBPL1 in complex with an engineered binder
分子名称: 1,2-ETHANEDIOL, AMSH-like protease, SULFATE ION, ...
著者Guo, Y, Dong, A, Hou, F, Li, Y, Zhang, W, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2021-01-02
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural and functional characterization of ubiquitin variant inhibitors for the JAMM-family deubiquitinases STAMBP and STAMBPL1.
J.Biol.Chem., 297, 2021

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件を2024-10-30に公開中

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