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5T08
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Crystal structure of H6 hemagglutinin G225D mutant from Taiwan (2013) H6N1 influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2 chain
著者Wilson, I.A, Tzarum, N, Zhu, X.
登録日2016-08-15
公開日2017-06-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1895 Å)
主引用文献A single mutation in Taiwanese H6N1 influenza hemagglutinin switches binding to human-type receptors.
EMBO Mol Med, 9, 2017
5V2N
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Crystal Structure of APO Human SETD8
分子名称: 1,2-ETHANEDIOL, N-lysine methyltransferase KMT5A
著者Skene, R.J.
登録日2017-03-05
公開日2018-03-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
5V7U
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Cyrstal structure of anti-Tau antibody CBTAU-22.1 Fab
分子名称: CBTAU-22.1 Fab heavy chain, CBTAU-22.1 Fab light chain, SULFATE ION
著者Zhu, X, Zhang, H, Wilson, I.A.
登録日2017-03-20
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Immunological memory to hyperphosphorylated tau in asymptomatic individuals.
Acta Neuropathol., 133, 2017
5TH0
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BU of 5th0 by Molmil
Crystal structure of H10 hemagglutinin mutant (K158aA-Q226L-G228S) from Jiangxi-Donghu (2013) H10N8 influenza virus
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, Wilson, I.A.
登録日2016-09-28
公開日2017-04-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The 150-Loop Restricts the Host Specificity of Human H10N8 Influenza Virus.
Cell Rep, 19, 2017
5THC
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Crystal structure of H10 hemagglutinin mutant (T193D-Q226L-G228S) from Jiangxi-Donghu (2013) H10N8 influenza virus in complex with 6'-SLNLN
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, Wilson, I.A.
登録日2016-09-29
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.792 Å)
主引用文献The 150-Loop Restricts the Host Specificity of Human H10N8 Influenza Virus.
Cell Rep, 19, 2017
5VJK
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BU of 5vjk by Molmil
Crystal structure of H7 hemagglutinin mutant (V186K, K193T, G228S) from the influenza virus A/Shanghai/2/2013 (H7N9)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
著者Zhu, X, Wilson, I.A.
登録日2017-04-19
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.593 Å)
主引用文献Three mutations switch H7N9 influenza to human-type receptor specificity.
PLoS Pathog., 13, 2017
5VJM
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Crystal structure of H7 hemagglutinin mutant (V186K, K193T, G228S) from the influenza virus A/Shanghai/2/2013 (H7N9) with LSTa
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
著者Zhu, X, Wilson, I.A.
登録日2017-04-19
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.909 Å)
主引用文献Three mutations switch H7N9 influenza to human-type receptor specificity.
PLoS Pathog., 13, 2017
8IW5
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Crystal structure of liprin-beta H2H3 dimer
分子名称: CALCIUM ION, Liprin-beta-1
著者Zhang, J, Chen, S, Wei, Z.
登録日2023-03-29
公開日2023-11-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023
8IVZ
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Crystal structure of talin R7 in complex with KANK1 KN motif
分子名称: KN motif and ankyrin repeat domains 1, Talin-1
著者Xu, Y, Li, K, Wei, Z, Cong, Y.
登録日2023-03-29
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023
8H03
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BU of 8h03 by Molmil
Major polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a preclinical Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-09-28
公開日2022-11-30
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
8H05
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Minor polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a postmortal Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-09-28
公開日2022-11-30
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
8H04
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BU of 8h04 by Molmil
Major polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a postmortal Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-09-28
公開日2022-11-30
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
4FMU
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BU of 4fmu by Molmil
Crystal structure of Methyltransferase domain of human SET domain-containing protein 2 Compound: Pr-SNF
分子名称: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid, Histone-lysine N-methyltransferase SETD2, UNKNOWN ATOM OR ION, ...
著者Dong, A, Zeng, H, Ibanez, G, Zheng, W, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-06-18
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012
6BOZ
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Structure of human SETD8 in complex with covalent inhibitor MS4138
分子名称: 1,2-ETHANEDIOL, N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide, N-lysine methyltransferase KMT5A
著者Babault, N, Anqi, M, Jin, J.
登録日2017-11-21
公開日2019-05-01
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
6C3L
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BU of 6c3l by Molmil
Crystal structure of BCL6 BTB domain with compound 15f
分子名称: B-cell lymphoma 6 protein, N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea
著者Linhares, B, Cheng, H, Cierpicki, T, Xue, F.
登録日2018-01-10
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.46092153 Å)
主引用文献Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
6C3N
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Crystal structure of BCL6 BTB domain in complex with compound 7CC5
分子名称: B-cell lymphoma 6 protein, N-(2-phenylethyl)-N'-pyridin-3-ylthiourea
著者Linhares, B, Cheng, H, Xue, F, Cierpicki, T.
登録日2018-01-10
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.53170586 Å)
主引用文献Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
6CQ1
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BCL6 BTB domain in complex with 15a
分子名称: 2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide, B-cell lymphoma 6 protein
著者Linhares, B.M, Cheng, H, Xue, F, Cierpicki, T.
登録日2018-03-14
公開日2019-03-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69921041 Å)
主引用文献Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
1W6U
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Structure of human DECR ternary complex
分子名称: 2,4-DIENOYL-COA REDUCTASE, MITOCHONDRIAL PRECURSOR, HEXANOYL-COENZYME A, ...
著者Alphey, M.S, Byres, E, Li, D, Hunter, W.N.
登録日2004-08-24
公開日2004-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site
J.Biol.Chem., 280, 2005
1W8D
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Binary structure of human DECR.
分子名称: 2,4-DIENOYL-COA REDUCTASE, MITOCHONDRIAL PRECURSOR, GLYCEROL, ...
著者Alphey, M.S, Byres, E, Hunter, W.N.
登録日2004-09-20
公開日2004-10-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site
J.Biol.Chem., 280, 2005
1W73
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Binary structure of human DECR solved by SeMet SAD.
分子名称: 2,4-DIENOYL-COA REDUCTASE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Alphey, M.S, Byres, E, Hunter, W.N.
登録日2004-08-27
公開日2004-10-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site
J.Biol.Chem., 280, 2005
6GK8
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Crystal structure of anti-tau antibody dmCBTAU-28.1, double mutant (S32R, E35K) of CBTAU-28.1, in complex with Tau peptide A7731 (residues 52-71)
分子名称: CHLORIDE ION, HUMAN FAB ANTIBODY FRAGMENT OF CBTAU-28.1(S32R;E35K), TAU PEPTIDE A7731 (RESIDUES 52-71)
著者Steinbacher, S, Mrosek, M, Juraszek, J.
登録日2018-05-18
公開日2018-06-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
6GK7
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Crystal structure of anti-tau antibody dmCBTAU-27.1, double mutant (S31Y, T100I) of CBTAU-27.1, in complex with Tau peptide A8119B (residues 299-318)
分子名称: CHLORIDE ION, HUMAN FAB ANTIBODY FRAGMENT OF CBTAU-27.1(S31Y,T100I), HUMAN TAU PEPTIDE A8119 RESIDUES 299-318
著者Steinbacher, S, Mrosek, M, Juraszek, J.
登録日2018-05-18
公開日2018-06-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
7XOZ
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Crystal structure of RPPT-TIR
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase
著者Song, W, Jia, A, Huang, S, Chai, J.
登録日2022-05-02
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献TIR-catalyzed ADP-ribosylation reactions produce signaling molecules for plant immunity.
Science, 377, 2022
7KBH
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Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 16)
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
著者Klein, D.J, Liu, J.
登録日2020-10-02
公開日2020-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.
Acs Med.Chem.Lett., 11, 2020
7KBG
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Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 20)
分子名称: 2,5-dichloro-1H-benzimidazole, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Klein, D.J, Liu, J.
登録日2020-10-02
公開日2020-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.
Acs Med.Chem.Lett., 11, 2020

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