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4D4V
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BU of 4d4v by Molmil
Focal Adhesion Kinase catalytic domain
分子名称: 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline, DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE, ...
著者Le Coq, J, Lin, A, Lietha, D.
登録日2014-10-31
公開日2015-02-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
4D4R
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BU of 4d4r by Molmil
Focal Adhesion Kinase catalytic domain
分子名称: FOCAL ADHESION KINASE 1, SULFATE ION
著者Le Coq, J, Lin, A, Lietha, D.
登録日2014-10-31
公開日2015-02-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
4D58
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BU of 4d58 by Molmil
Focal Adhesion Kinase catalytic domain in complex with bis-anilino pyrimidine inhibitor
分子名称: 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE, FOCAL ADHESION KINASE, SULFATE ION
著者Le Coq, J, Lin, A, Lietha, D.
登録日2014-11-03
公開日2015-02-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
4D4Y
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BU of 4d4y by Molmil
Focal Adhesion Kinase catalytic domain
分子名称: DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE 1, SULFATE ION
著者Le Coq, J, Lin, A, Lietha, D.
登録日2014-10-31
公開日2015-02-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
4XRO
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BU of 4xro by Molmil
Disulfide stabilized HIV-1 CA hexamer 4mut (S41A, Q67H, V165I, L172I)
分子名称: Capsid protein p24
著者Price, A.J, James, L.C.
登録日2015-01-21
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献HIV-1 Resistance to the Capsid-Targeting Inhibitor PF74 Results in Altered Dependence on Host Factors Required for Virus Nuclear Entry.
J.Virol., 89, 2015
8JFG
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BU of 8jfg by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-octanoyl-ACP from Helicobacter pylori
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase, Acyl carrier protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zhou, J.S, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JF9
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BU of 8jf9 by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG from Helicobacter pylori
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase
著者Zhou, J.S, Zhang, L.
登録日2023-05-17
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFA
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BU of 8jfa by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADPH from Helicobacter pylori
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhou, J.S, Zhang, L.
登録日2023-05-17
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFH
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BU of 8jfh by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-octanoyl-ACP from Helicobacter pylori in an inactive form that priors the acyl substrate delivery
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase, Acyl carrier protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zhou, J.S, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
4XRQ
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BU of 4xrq by Molmil
Disulfide stabilized HIV-1 CA hexamer 4mut (S41A, Q67H, V165I, L172I) in complex with PF-3450074
分子名称: Capsid protein p24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE
著者Price, A.J, James, L.C.
登録日2015-01-21
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献HIV-1 Resistance to the Capsid-Targeting Inhibitor PF74 Results in Altered Dependence on Host Factors Required for Virus Nuclear Entry.
J.Virol., 89, 2015
8JFI
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BU of 8jfi by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-hexanoyl-ACP from Helicobacter pylori
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase, Acyl carrier protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zhou, J.S, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFJ
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BU of 8jfj by Molmil
Crystal structure of enoyl-ACP reductase FabI from Helicobacter pylori
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH]
著者Song, W.Y, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFN
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BU of 8jfn by Molmil
Crystal structure of enoyl-ACP reductase FabI in complex with NAD+ and crotonyl-ACP from Helicobacter pylori
分子名称: Acyl carrier protein, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Song, W.Y, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFM
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BU of 8jfm by Molmil
Crystal structure of enoyl-ACP reductase FabI in complex with NADH from Helicobacter pylori
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Song, W.Y, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
5HSO
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BU of 5hso by Molmil
Crystal structure of MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN Rv2887 complex with DNA
分子名称: DNA (30-MER), the upstream sequence of Rv0560c, Uncharacterized HTH-type transcriptional regulator Rv2887
著者Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J.
登録日2016-01-26
公開日2017-02-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis
Sci Rep, 7, 2017
6JIW
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BU of 6jiw by Molmil
Crystal structure of S. aureus CntK with C72S mutation
分子名称: 1,2-ETHANEDIOL, Diaminopimelate epimerase, SULFATE ION
著者Luo, S, Ju, Y, Zhou, H.
登録日2019-02-23
公開日2019-10-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of CntK, the cofactor-independent histidine racemase in staphylopine-mediated metal acquisition of Staphylococcus aureus.
Int.J.Biol.Macromol., 135, 2019
4WT2
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BU of 4wt2 by Molmil
Co-crystal Structure of MDM2 in Complex with AM-7209
分子名称: 4-({[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
登録日2014-10-30
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of AM-7209, a Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2-p53 Interaction.
J.Med.Chem., 57, 2014
7ASL
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BU of 7asl by Molmil
HIV-1 Gag immature lattice. GagSP1T8I
分子名称: Gag protein
著者Mendonca, L, Zhang, P.
登録日2020-10-27
公開日2021-06-23
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献CryoET structures of immature HIV Gag reveal six-helix bundle.
Commun Biol, 4, 2021
7ASH
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BU of 7ash by Molmil
HIV-1 Gag immature lattice. GagdeltaMASP1T8I
分子名称: Gag protein
著者Mendonca, L, Zhang, P.
登録日2020-10-27
公開日2021-06-23
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献CryoET structures of immature HIV Gag reveal six-helix bundle.
Commun Biol, 4, 2021
5ULA
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BU of 5ula by Molmil
Crystal Structure of the First Bromodomain of Human BRD4 in Complex With Cyclic Vinylogous Amide Inhibitor MS402
分子名称: 3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide, Bromodomain-containing protein 4
著者Plotnikov, A.N, Joshua, j, Zhou, M.-M.
登録日2017-01-24
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献BET N-terminal bromodomain inhibition selectively blocks Th17 cell differentiation and ameliorates colitis in mice.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3WY7
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BU of 3wy7 by Molmil
Crystal structure of Mycobacterium smegmatis 7-Keto-8-aminopelargonic acid (KAPA) synthase BioF
分子名称: 8-amino-7-oxononanoate synthase
著者Fan, S.H, Li, D.F, Wang, D.C, Chen, G.J, Zhang, X.E, Bi, L.J.
登録日2014-08-20
公開日2014-12-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and function of Mycobacterium smegmatis 7-keto-8-aminopelargonic acid (KAPA) synthase
Int.J.Biochem.Cell Biol., 58C, 2014
5HSJ
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BU of 5hsj by Molmil
Structure of tyrosine decarboxylase complex with PLP at 1.9 Angstroms resolution
分子名称: PYRIDOXAL-5'-PHOSPHATE, Putative decarboxylase
著者Ni, Y, Zhou, J, Zhu, H, Zhang, K.
登録日2016-01-25
公開日2016-09-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of tyrosine decarboxylase and identification of key residues involved in conformational swing and substrate binding
Sci Rep, 6, 2016
3OPW
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BU of 3opw by Molmil
Crystal Structure of the Rph1 catalytic core
分子名称: DNA damage-responsive transcriptional repressor RPH1
著者Chang, Y, Wu, J, Tong, X, Zhou, J, Ding, J.
登録日2010-09-02
公開日2010-12-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the catalytic core of Saccharomyces cerevesiae histone demethylase Rph1: insights into the substrate specificity and catalytic mechanism
Biochem.J., 433, 2011
3OPT
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BU of 3opt by Molmil
Crystal structure of the Rph1 catalytic core with a-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, DNA damage-responsive transcriptional repressor RPH1, NICKEL (II) ION
著者Chang, Y, Wu, J, Tong, X, Zhou, J, Ding, J.
登録日2010-09-02
公開日2010-12-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the catalytic core of Saccharomyces cerevesiae histone demethylase Rph1: insights into the substrate specificity and catalytic mechanism
Biochem.J., 433, 2011
6M1K
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BU of 6m1k by Molmil
USP7 in complex with a novel inhibitor
分子名称: Ubiquitin carboxyl-terminal hydrolase 7, methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate
著者Liu, S.J, Zhou, X.Y, Li, M.L, Sun, H.B, Wen, X.A.
登録日2020-02-26
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.255 Å)
主引用文献N-benzylpiperidinol derivatives as novel USP7 inhibitors: Structure-activity relationships and X-ray crystallographic studies.
Eur.J.Med.Chem., 199, 2020

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