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6MQE
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Vaccine-elicited NHP FP-targeting HIV neutralizing antibody DFPH-a.15 in complex with HIV fusion peptide (residue 512-519)
分子名称: DFPHa.15 antibody Fab heavy chain, DFPHa.15 antibody Fab light chain, HIV fusion peptide
著者Xu, K, Wang, Y, Kwong, P.D.
登録日2018-10-09
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.459 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6MQS
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BU of 6mqs by Molmil
Vaccine-elicited NHP FP-targeting HIV neutralizing antibody A12V163-a.01 in complex with HIV fusion peptide (residue 512-519)
分子名称: HIV fusion peptide residue 512-519, antibody A12V163-a.01 heavy chain, antibody A12V163-a.01 light chain
著者Xu, K, Wang, Y, Kwong, P.D.
登録日2018-10-10
公開日2019-07-31
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (2.997 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
1JNK
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THE C-JUN N-TERMINAL KINASE (JNK3S) COMPLEXED WITH MGAMP-PNP
分子名称: C-JUN N-TERMINAL KINASE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Xie, X, Su, M.S.-S.
登録日1998-06-03
公開日1999-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of JNK3: a kinase implicated in neuronal apoptosis.
Structure, 6, 1998
6MPH
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BU of 6mph by Molmil
Cryo-EM structure at 3.8 A resolution of HIV-1 fusion peptide-directed antibody, DF1W-a.01, elicited by vaccination of Rhesus macaques, in complex with stabilized HIV-1 Env BG505 DS-SOSIP, which was also bound to antibodies VRC03 and PGT122
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, DF1W-a.01 Light chain, ...
著者Acharya, P, Xu, K, Kwong, P.D.
登録日2018-10-06
公開日2019-07-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6N1W
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Cryo-EM structure at 4.2 A resolution of vaccine-elicited antibody DFPH-a.15 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
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, DFPH-a.15 Light chain, ...
著者Acharya, P, Kwong, P.D.
登録日2018-11-12
公開日2019-07-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
3IEJ
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BU of 3iej by Molmil
Pyrazole-based Cathepsin S Inhibitors with Arylalkynes as P1 Binding Elements
分子名称: 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol, Cathepsin S
著者Bembenek, S.
登録日2009-07-22
公開日2009-10-06
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Pyrazole-based cathepsin S inhibitors with arylalkynes as P1 binding elements.
Bioorg.Med.Chem.Lett., 19, 2009
6NF2
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BU of 6nf2 by Molmil
Cryo-EM structure of vaccine-elicited antibody 0PV-c.01 in complex with HIV-1 Env BG505 DS-SOSIP and antibodies VRC03 and PGT122
分子名称: 0PV-c.01 Heavy Chain, 0PV-c.01 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gorman, J, Kwong, P.D.
登録日2018-12-18
公開日2019-07-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
3JY9
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Janus Kinase 2 Inhibitors
分子名称: (3S)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one, SODIUM ION, Tyrosine-protein kinase JAK2
著者Zuccola, H.J, Ledeboer, M.W, Pierce, A.C.
登録日2009-09-21
公開日2009-12-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Janus kinase 2 inhibitors. Synthesis and characterization of a novel polycyclic azaindole.
J.Med.Chem., 52, 2009
6N1V
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Cryo-EM structure at 4.0 A resolution of vaccine-elicited antibody A12V163-a.01 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
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, A12V163-a.01 Heavy chain, ...
著者Acharya, P, Kwong, P.D.
登録日2018-11-12
公開日2019-07-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6MPG
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BU of 6mpg by Molmil
Cryo-EM structure at 3.2 A resolution of HIV-1 fusion peptide-directed antibody, A12V163-b.01, elicited by vaccination of Rhesus macaques, in complex with stabilized HIV-1 Env BG505 DS-SOSIP, which was also bound to antibodies VRC03 and PGT122
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, A12V163-b.01 Heavy Chain, ...
著者Acharya, P, Kwong, P.D.
登録日2018-10-06
公開日2019-07-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6A83
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BU of 6a83 by Molmil
Crystal structure of the C-terminal periplasmic domain of EcEptC from Escherichia coli complex with Zn
分子名称: Phosphoethanolamine transferase EptC, SODIUM ION, ZINC ION
著者Zhao, Y.Q, Gu, Y.J, Cheng, W.
登録日2018-07-06
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Structural and mechanistic insights into polymyxin resistance mediated by EptC originating from Escherichia coli.
FEBS J., 286, 2019
7PUP
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BU of 7pup by Molmil
INOSITOL 1,3,4-TRISPHOSPHATE 5/6-KINASE 4 from Arabidopsis thaliana (AtITPK4) in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Inositol 1,3,4-trisphosphate 5/6-kinase 4
著者Whitfield, H, He, S, Brearley, C.A, Hemmings, A.M.
登録日2021-09-30
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Diversification in the inositol tris/tetrakisphosphate kinase (ITPK) family: crystal structure and enzymology of the outlier AtITPK4.
Biochem.J., 480, 2023
8IV4
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BU of 8iv4 by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 3E2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IV8
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BU of 8iv8 by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 3E2 and 1C4 (local refinement)
分子名称: Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.92 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IVA
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BU of 8iva by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs XMA01 and 3E2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IV5
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BU of 8iv5 by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 1C4 (local refinement)
分子名称: Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IX3
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BU of 8ix3 by Molmil
Cryo-EM structure of SARS-CoV-2 BA.4/5 spike protein in complex with 1G11 (local refinement)
分子名称: BA.4/5 variant spike protein, heavy chain of 1G11, light chain of 1G11
著者Sun, H, Jiang, Y, Zheng, Z, Zheng, Q, Li, S.
登録日2023-03-31
公開日2023-11-15
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.98 Å)
主引用文献Structural basis for broad neutralization of human antibody against Omicron sublineages and evasion by XBB variant.
J.Virol., 97, 2023
4R3Q
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BU of 4r3q by Molmil
Crystal structure of SYCE3
分子名称: Synaptonemal complex central element protein 3
著者Lu, J, Feng, J, Zhou, W, Yang, X, Shen, Y.
登録日2014-08-17
公開日2014-11-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Structural insight into the central element assembly of the synaptonemal complex
Sci Rep, 4, 2014
4N4R
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BU of 4n4r by Molmil
Structure basis of lipopolysaccharide biogenesis
分子名称: CACODYLATE ION, LPS-assembly lipoprotein LptE, LPS-assembly protein LptD, ...
著者Dong, H, Xiang, Q, Wang, Z, Paterson, N.G, He, C, Zhang, Y, Wang, W, Dong, C.
登録日2013-10-08
公開日2014-06-25
最終更新日2014-07-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for outer membrane lipopolysaccharide insertion.
Nature, 511, 2014
3BYM
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BU of 3bym by Molmil
X-ray co-crystal structure aminobenzimidazole triazine 1 bound to Lck
分子名称: N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
著者Huang, X.
登録日2008-01-16
公開日2008-09-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity.
J.Med.Chem., 51, 2008
3BYO
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BU of 3byo by Molmil
X-Ray co-crystal structure of 2-amino-6-phenylpyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one 25 bound to Lck
分子名称: 6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
著者Huang, X.
登録日2008-01-16
公開日2008-12-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity.
J.Med.Chem., 51, 2008
3DTW
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BU of 3dtw by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a benzisoxazole inhibitor
分子名称: 6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2008-07-16
公開日2008-09-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of amido-benzisoxazoles as potent c-Kit inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3CP9
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Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor
分子名称: 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2008-03-31
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit.
J.Med.Chem., 51, 2008
3CPB
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BU of 3cpb by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a bisamide inhibitor
分子名称: N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2008-03-31
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit.
J.Med.Chem., 51, 2008
3CPC
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Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor
分子名称: 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2008-03-31
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit.
J.Med.Chem., 51, 2008

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