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3PCU
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BU of 3pcu by Molmil
Crystal structure of human retinoic X receptor alpha ligand-binding domain complexed with LX0278 and SRC1 peptide
分子名称: 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Zhang, H, Zhang, Y, Shen, H, Chen, J, Li, C, Chen, L, Hu, L, Jiang, H, Shen, X.
登録日2010-10-22
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献(+)-Rutamarin as a Dual Inducer of Both GLUT4 Translocation and Expression Efficiently Ameliorates Glucose Homeostasis in Insulin-Resistant Mice.
Plos One, 7, 2012
2W9C
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BU of 2w9c by Molmil
Ternary complex of Dpo4 bound to N2,N2-dimethyl-deoxyguanosine modified DNA with incoming dTTP
分子名称: 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*DOCP)-3', 5'-D(*TP*CP*AP*CP*O2GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', DNA POLYMERASE IV, ...
著者Eoff, R.L, Zhang, H, Kosekov, I.D, Rizzo, C.J, Egli, M, Guengerich, F.P.
登録日2009-01-22
公開日2009-05-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-Function Relationships in Miscoding by Sulfolobus Solfataricus DNA Polymerase Dpo4: Guanine N2,N2-Dimethyl Substitution Produces Inactive and Miscoding Polymerase Complexes.
J.Biol.Chem., 284, 2009
2W9B
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BU of 2w9b by Molmil
Binary complex of Dpo4 bound to N2,N2-dimethyl-deoxyguanosine modified DNA
分子名称: 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOCP)-3', 5'-D(*TP*CP*AP*TP*M2GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', DNA POLYMERASE IV, ...
著者Eoff, R.L, Zhang, H, Kosekov, I.D, Rizzo, C.J, Egli, M, Guengerich, F.P.
登録日2009-01-22
公開日2009-05-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure-Function Relationships in Miscoding by Sulfolobus Solfataricus DNA Polymerase Dpo4: Guanine N2,N2-Dimethyl Substitution Produces Inactive and Miscoding Polymerase Complexes.
J.Biol.Chem., 284, 2009
2W9A
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BU of 2w9a by Molmil
Ternary complex of Dpo4 bound to N2,N2-dimethyl-deoxyguanosine modified DNA with incoming dGTP
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOC)-3', 5'-D(*TP*CP*AP*CP*O2GP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ...
著者Eoff, R.L, Zhang, H, Kosekov, I.D, Rizzo, C.J, Egli, M, Guengerich, F.P.
登録日2009-01-22
公開日2009-05-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Function Relationships in Miscoding by Sulfolobus Solfataricus DNA Polymerase Dpo4: Guanine N2,N2-Dimethyl Substitution Produces Inactive and Miscoding Polymerase Complexes.
J.Biol.Chem., 284, 2009
2W8L
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BU of 2w8l by Molmil
Y-family DNA polymerase Dpo4 bypassing N2-naphthyl-guanine adduct in anti orientation
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOC)-3', 5'-D(*TP*CP*AP*CP*N2GP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ...
著者Eoff, R.L, Zhang, H, Egli, M, Guengerich, F.P.
登録日2009-01-16
公開日2009-01-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Versatility of Y-Family Sulfolobus Solfataricus DNA Polymerase Dpo4 in Translesion Synthesis Past Bulky N2-Alkylguanine Adducts.
J.Biol.Chem., 284, 2009
2W8K
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BU of 2w8k by Molmil
Y-family DNA polymerase Dpo4 bypassing N2-naphthyl-guanine adduct in syn orientation
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOC)-3', 5'-D(*TP*CP*AP*CP*N2GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ...
著者Eoff, R.L, Zhang, H, Egli, M, Guengerich, F.P.
登録日2009-01-16
公開日2009-01-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Versatility of Y-Family Sulfolobus Solfataricus DNA Polymerase Dpo4 in Translesion Synthesis Past Bulky N2-Alkylguanine Adducts.
J.Biol.Chem., 284, 2009
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
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
5IC1
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BU of 5ic1 by Molmil
Structural analysis of a talin triple domain module, E1794Y, E1797Y, Q1801Y mutant
分子名称: 1,2-ETHANEDIOL, Talin-1
著者Wu, J, Chang, Y.-C.E, Zhang, H, Huang, Q.-Q.
登録日2016-02-22
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Functional Analysis of a Talin Triple-Domain Module Suggests an Alternative Talin Autoinhibitory Configuration.
Structure, 24, 2016
4XQO
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BU of 4xqo by Molmil
Crystal structure of hemagglutinin from Jiangxi-Donghu (2013) H10N8 influenza virus in complex with 6'-SLN
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, Hemagglutinin HA1 chain, ...
著者Tzarum, N, Zhang, H, Zhu, X, Wilson, I.A.
登録日2015-01-19
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A Human-Infecting H10N8 Influenza Virus Retains a Strong Preference for Avian-type Receptors.
Cell Host Microbe, 17, 2015
4XQ5
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BU of 4xq5 by Molmil
Human-infecting H10N8 influenza virus retains strong preference for avian-type receptors
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, Hemagglutinin HA1 chain, ...
著者Tzarum, N, Zhang, H, Zhu, X, Wilson, I.A.
登録日2015-01-19
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.592 Å)
主引用文献A Human-Infecting H10N8 Influenza Virus Retains a Strong Preference for Avian-type Receptors.
Cell Host Microbe, 17, 2015
4XQU
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BU of 4xqu by Molmil
Crystal structure of hemagglutinin from Jiangxi-Donghu (2013) H10N8 influenza virus in complex with 3'-SLN
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, Hemagglutinin HA1, ...
著者Tzarum, N, Zhang, H, Zhu, X, Wilson, I.A.
登録日2015-01-20
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献A Human-Infecting H10N8 Influenza Virus Retains a Strong Preference for Avian-type Receptors.
Cell Host Microbe, 17, 2015
5WUU
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BU of 5wuu by Molmil
Complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring
分子名称: Bromodomain-containing protein 4, ~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide
著者Zhang, H, Sun, Z.Y.
登録日2016-12-21
公開日2017-04-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.724 Å)
主引用文献Discovery of novel BRD4 inhibitors by high-throughput screening, crystallography, and cell-based assays.
Bioorg. Med. Chem. Lett., 27, 2017
5Z5T
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BU of 5z5t by Molmil
The first bromodomain of BRD4 with compound BDF-2141
分子名称: 2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol, Bromodomain-containing protein 4
著者Zhang, H, Luo, C.
登録日2018-01-20
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5Z5V
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BU of 5z5v by Molmil
The first bromodomain of BRD4 with compound BDF-1253
分子名称: Bromodomain-containing protein 4, N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide
著者Zhang, H, Luo, C.
登録日2018-01-20
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5Z5U
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BU of 5z5u by Molmil
The first bromodomain of BRD4 with compound BDF-2254
分子名称: 2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol, Bromodomain-containing protein 4
著者Zhang, H, Luo, C.
登録日2018-01-20
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
3NSN
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BU of 3nsn by Molmil
Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with TMG-chitotriomycin
分子名称: 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetylglucosaminidase
著者Zhang, H, Liu, T, Liu, F, Yang, Q, Shen, X.
登録日2010-07-02
公開日2010-11-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Determinants of an Insect {beta}-N-Acetyl-D-hexosaminidase Specialized as a Chitinolytic Enzyme
J.Biol.Chem., 286, 2011
3NSM
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BU of 3nsm by Molmil
Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 from Ostrinia furnacalis
分子名称: N-acetylglucosaminidase
著者Zhang, H, Liu, T, Liu, F, Yang, Q, Shen, X.
登録日2010-07-02
公開日2010-11-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Determinants of an Insect {beta}-N-Acetyl-D-hexosaminidase Specialized as a Chitinolytic Enzyme
J.Biol.Chem., 286, 2011
3OZP
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BU of 3ozp by Molmil
Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with PUGNAc
分子名称: N-acetylglucosaminidase, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE
著者Zhang, H, Liu, T, Liu, F, Shen, X, Yang, Q.
登録日2010-09-27
公開日2011-08-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Active-pocket size differentiating insectile from bacterial chitinolytic beta-N-acetyl-D-hexosaminidases
Biochem.J., 438, 2011
3Q6B
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BU of 3q6b by Molmil
The high-resolution and new form crystal structure of BamA POTRA4-5 from E.coli
分子名称: Outer membrane protein assembly complex, YaeT protein
著者Gao, Z.Q, Zhang, H, Dong, Y.H.
登録日2010-12-31
公開日2011-08-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High-resolution structure of a new crystal form of BamA POTRA4-5 from Escherichia coli.
Acta Crystallogr.,Sect.F, 67, 2011
7PJ1
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BU of 7pj1 by Molmil
Solution structure of isolated Drosophila histone H2A-H2B heterodimer
分子名称: Histone H2A, Histone H2B
著者van Ingen, H, Zhang, H.
登録日2021-08-23
公開日2021-12-08
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Mapping the electrostatic potential of the nucleosome acidic patch.
Sci Rep, 11, 2021
6LJ1
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BU of 6lj1 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss02127 monomer
分子名称: (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.151 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ2
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BU of 6lj2 by Molmil
Crystal structure of NDM-1 in complex with heterodimer of D-captopril derivative wss02127 stereoisomer
分子名称: (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, (1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, HYDROXIDE ION, ...
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ5
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Crystal structure of NDM-1 in complex with D-captopril derivative wss04145
分子名称: 1,2-ETHANEDIOL, 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ0
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BU of 6lj0 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss02122
分子名称: (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020

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