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9BKN
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BU of 9bkn by Molmil
DHODH in complex with Ligand 16
分子名称: (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ...
著者Shaffer, P.L.
登録日2024-04-29
公開日2024-07-03
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 67, 2024
9BKO
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BU of 9bko by Molmil
DHODH in complex with Ligand 26
分子名称: (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ...
著者Shaffer, P.L.
登録日2024-04-29
公開日2024-07-03
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 67, 2024
7S0V
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BU of 7s0v by Molmil
The role of an Asp-Asp pair in the structure, function and inhibition of CTX-M Class A Beta-lactamase
分子名称: 3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase
著者Kemp, M.T, Chen, Y.
登録日2021-08-31
公開日2021-11-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mutation of the conserved Asp-Asp pair impairs the structure, function, and inhibition of CTX-M Class A beta-lactamase.
Febs Lett., 595, 2021
6L4X
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BU of 6l4x by Molmil
Turning an asparaginyl endopeptidase into a peptide ligase
分子名称: Asparaginyl endopeptidase
著者El Sahili, A, Lescar, J.
登録日2019-10-21
公開日2020-10-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.644 Å)
主引用文献Turning an Asparaginyl Endopeptidase into a Peptide Ligase
Acs Catalysis, 10, 2020
2QRV
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BU of 2qrv by Molmil
Structure of Dnmt3a-Dnmt3L C-terminal domain complex
分子名称: DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE
著者Jia, D, Cheng, X.
登録日2007-07-29
公開日2007-12-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure of Dnmt3a bound to Dnmt3L suggests a model for de novo DNA methylation.
Nature, 449, 2007
3NER
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BU of 3ner by Molmil
Structure of Human Type B Cytochrome b5
分子名称: Cytochrome b5 type B, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Terzyan, S, Zhang, C, Rivera, M, Benson, D.B.
登録日2010-06-09
公開日2011-05-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Accommodating a Non-Conservative Internal Mutation by Water-Mediated Hydrogen-Bonding Between beta-Sheet Strands: A Comparison of Human and Rat Type B (Mitochondrial) Cytochrome b5
Biochemistry, 50, 2011
3K1Q
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BU of 3k1q by Molmil
Backbone model of an aquareovirus virion by cryo-electron microscopy and bioinformatics
分子名称: Core protein VP6, Outer capsid VP5, Outer capsid VP7, ...
著者Cheng, L.P, Zhu, J, Hiu, W.H, Zhang, X.K, Honig, B, Fang, Q, Zhou, Z.H.
登録日2009-09-28
公開日2010-03-23
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Backbone Model of an Aquareovirus Virion by Cryo-Electron Microscopy and Bioinformatics
J.Mol.Biol., 397, 2010
5GZO
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BU of 5gzo by Molmil
Structure of neutralizing antibody bound to Zika envelope protein
分子名称: Antibody heavy chain, Antibody light chain, Genome polyprotein
著者Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F.
登録日2016-09-29
公開日2017-01-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.755 Å)
主引用文献Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
5GWE
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BU of 5gwe by Molmil
cytochrome P450 CREJ
分子名称: (4-methylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Dong, S, liu, X, Wang, X, Feng, Y.
登録日2016-09-11
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5GZN
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BU of 5gzn by Molmil
Structure of neutralizing antibody bound to Zika envelope protein
分子名称: Antibody Heavy chain, Antibody light chain, Genome polyprotein
著者Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F.
登録日2016-09-29
公開日2016-12-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
6W38
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BU of 6w38 by Molmil
Crystal structure of the FAM46C/Plk4 complex
分子名称: Serine/threonine-protein kinase PLK4, Terminal nucleotidyltransferase 5C
著者Chen, H, Lu, D.F, Shang, G.J, Zhang, X.W.
登録日2020-03-09
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.48 Å)
主引用文献Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020
6W3J
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BU of 6w3j by Molmil
Crystal structure of the FAM46C/Plk4/Cep192 complex
分子名称: Centrosomal protein of 192 kDa, Serine/threonine-protein kinase PLK4, Terminal nucleotidyltransferase 5C
著者Chen, H, Lu, D.F, Shang, G.J, Zhang, X.W.
登録日2020-03-09
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.385 Å)
主引用文献Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020
6W36
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BU of 6w36 by Molmil
Crystal structure of FAM46C
分子名称: SULFATE ION, Terminal nucleotidyltransferase 5C
著者Shang, G.J, Zhang, X.W, Chen, H, Lu, D.F.
登録日2020-03-09
公開日2020-05-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.854 Å)
主引用文献Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020
6W3I
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BU of 6w3i by Molmil
Crystal structure of a FAM46C mutant in complex with Plk4
分子名称: Serine/threonine-protein kinase PLK4, Terminal nucleotidyltransferase 5C
著者Chen, H, Shang, G.J, Lu, D.F, Zhang, X.W.
登録日2020-03-09
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.802 Å)
主引用文献Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020
4R28
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BU of 4r28 by Molmil
MspJI Restriction Endonuclease in Complex with 27-mer Oligonucleotide
分子名称: DNA (25-MER), DNA (26-MER), Restriction endonuclease
著者Horton, J.R, Cheng, X.
登録日2014-08-10
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.055 Å)
主引用文献Modification-dependent restriction endonuclease, MspJI, flips 5-methylcytosine out of the DNA helix.
Nucleic Acids Res., 42, 2014
4Q9V
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BU of 4q9v by Molmil
Crystal structure of TIPE3
分子名称: CHLORIDE ION, SULFATE ION, Tumor necrosis factor alpha-induced protein 8-like protein 3
著者Wu, J, Zhang, X, Chen, Y.H, Shi, Y.
登録日2014-05-02
公開日2014-10-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献TIPE3 Is the Transfer Protein of Lipid Second Messengers that Promote Cancer.
Cancer Cell, 26, 2014
5GZR
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BU of 5gzr by Molmil
Zika virus E protein complexed with a neutralizing antibody Z23-Fab
分子名称: Z23 Fab heavy chain, Z23 Fab light chain, structural protein E, ...
著者Gao, G.G, Shi, Y, Peng, R, Liu, S.
登録日2016-10-01
公開日2016-11-30
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (9.4 Å)
主引用文献Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
3MO2
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BU of 3mo2 by Molmil
human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E67
分子名称: 7-[(5-aminopentyl)oxy]-N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
著者Chang, Y, Horton, J.R, Cheng, X.
登録日2010-04-22
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
4JNK
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BU of 4jnk by Molmil
Lactate Dehydrogenase A in complex with inhibitor compound 22
分子名称: (2R)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2013-03-15
公開日2013-05-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Identification of substituted 2-thio-6-oxo-1,6-dihydropyrimidines as inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 23, 2013
3MO5
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BU of 3mo5 by Molmil
Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E72
分子名称: 7-[(5-aminopentyl)oxy]-N~4~-[1-(5-aminopentyl)piperidin-4-yl]-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
著者Chang, Y, Horton, J.R, Cheng, X.
登録日2010-04-22
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
7QXI
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BU of 7qxi by Molmil
Cryo-EM structure of RNA polymerase-sigma54 holo enzyme with promoter DNA closed complex
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Ye, F.Z, Zhang, X.D.
登録日2022-01-26
公開日2022-11-09
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Mechanisms of DNA opening revealed in AAA+ transcription complex structures.
Sci Adv, 8, 2022
7QWP
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BU of 7qwp by Molmil
CryoEM structure of bacterial transcription close complex (RPc)
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Ye, F.Z, Zhang, X.D.
登録日2022-01-25
公開日2022-11-09
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Mechanisms of DNA opening revealed in AAA+ transcription complex structures.
Sci Adv, 8, 2022
7QV9
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BU of 7qv9 by Molmil
CryoEM structure of bacterial transcription intermediate complex mediated by activator PspF
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, DNA-directed RNA polymerase subunit alpha, ...
著者Ye, F.Z, Zhang, X.D.
登録日2022-01-20
公開日2022-11-09
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mechanisms of DNA opening revealed in AAA+ transcription complex structures.
Sci Adv, 8, 2022
3RKD
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BU of 3rkd by Molmil
Hepatitis E Virus E2s domain (Genotype I) in complex with a neutralizing antibody
分子名称: Capsid protein, Monoclonal Antibody, Heavy Chain, ...
著者Tang, X.H, Sivaraman, J.
登録日2011-04-18
公開日2011-06-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the neutralization and genotype specificity of hepatitis E virus
Proc.Natl.Acad.Sci.USA, 108, 2011
3RKC
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BU of 3rkc by Molmil
Hepatitis E Virus Capsid Protein E2s Domain (genotype IV)
分子名称: Capsid protein
著者Tang, X.H, Sivaraman, J.
登録日2011-04-18
公開日2011-06-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural basis for the neutralization and genotype specificity of hepatitis E virus
Proc.Natl.Acad.Sci.USA, 108, 2011

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