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8T6G
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BU of 8t6g by Molmil
Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors
分子名称: (1S)-1-{6-[(1S)-1-amino-1,3-dihydrospiro[indene-2,4'-piperidin]-1'-yl]-3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl}ethan-1-ol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Tang, Y, Nugyen, V, Wilbur, J.D.
登録日2023-06-15
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
8CC4
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BU of 8cc4 by Molmil
LasB bound to phosphonic acid based inhibitor
分子名称: CALCIUM ION, Elastase, ZINC ION, ...
著者Mueller, R, Sikandar, A.
登録日2023-01-26
公開日2023-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Inhibitors of the Elastase LasB for the Treatment of Pseudomonas aeruginosa Lung Infections.
Acs Cent.Sci., 9, 2023
6MTO
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BU of 6mto by Molmil
Crystal structure of VRC42.01 Fab in complex with T117-F MPER scaffold
分子名称: Antibody VRC42.01 Fab heavy chain, Antibody VRC42.01 Fab light chain, VRC42 epitope T117-F scaffold
著者Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D.
登録日2018-10-21
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.634 Å)
主引用文献Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
6MTR
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BU of 6mtr by Molmil
Crystal structure of VRC43.01 Fab
分子名称: Antibody VRC43.01 Fab heavy chain, Antibody VRC43.01 Fab light chain
著者Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D.
登録日2018-10-21
公開日2019-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
6MTS
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BU of 6mts by Molmil
Crystal structure of VRC43.03 Fab
分子名称: Antibody VRC43.03 Fab heavy chain, Antibody VRC43.03 Fab light chain
著者Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Doria-Rose, N.A, Kwong, P.D.
登録日2018-10-21
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.437 Å)
主引用文献Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
6MTP
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BU of 6mtp by Molmil
Crystal structure of VRC42.04 Fab in complex with gp41 peptide
分子名称: Antibody VRC42.04 Fab heavy chain, Antibody VRC42.04 Fab light chain, RV217 founder virus gp41 peptide
著者Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D.
登録日2018-10-21
公開日2019-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.036 Å)
主引用文献Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
6MTT
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BU of 6mtt by Molmil
Crystal structure of VRC46.01 Fab in complex with gp41 peptide
分子名称: Antibody VRC46.01 Fab heavy chain, Antibody VRC46.01 Fb light chain, RV217 founder virus gp41 peptide
著者Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Veradi, R, Doria-Rose, N.A, Kwong, P.D.
登録日2018-10-21
公開日2019-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
6MTQ
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BU of 6mtq by Molmil
Crystal structure of VRC42.N1 Fab in complex with T117-F MPER scaffold
分子名称: Antibody VRC42.N1 Fab heavy chain, Antibody VRC42.N1 Fab light chain, VRC42 epitope T117-F scaffold
著者Kwon, Y.D, Law, W.H, Veradi, R, Doria-Rose, N.A, Kwong, P.D.
登録日2018-10-21
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
4DFN
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BU of 4dfn by Molmil
Crystal structure of spleen tyrosine kinase complexed with an adamantylpyrazine inhibitor
分子名称: 3-amino-6-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-[(1R,2r,3S,5s,7s)-5-hydroxyadamantan-2-yl]pyrazine-2-carboxamide, Tyrosine-protein kinase SYK
著者Lopez, M, Segarra, V, Vidal, B, Wenzkowski, C, Jestel, A, Krapp, S, Blaesse, M, Nagel, S, Schreiner, P.
登録日2012-01-24
公開日2012-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Pyrazine-based Syk kinase inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4DFL
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BU of 4dfl by Molmil
Crystal structure of spleen tyrosine kinase complexed with a sulfonamidopyrazine piperidine inhibitor
分子名称: 1,2-ETHANEDIOL, 3-amino-6-{3-[(methylsulfonyl)amino]phenyl}-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide, SULFATE ION, ...
著者Lopez, M, Segarra, V, Vidal, B, Wenzkowski, C, Jestel, A, Krapp, S, Blaesse, M, Nagel, S, Schreiner, P.
登録日2012-01-24
公開日2012-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Pyrazine-based Syk kinase inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4F4P
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BU of 4f4p by Molmil
SYK in COMPLEX WITH LIGAND LASW836
分子名称: N-{6-[3-(piperazin-1-yl)phenyl]pyridin-2-yl}-4-(trifluoromethyl)pyridin-2-amine, SULFATE ION, Tyrosine-protein kinase SYK
著者Lopez, M, Segarra, V, Vidal, B, Wenzkowski, C, Jestel, A, Krapp, S, Blaesse, M, Nagel, S, Schreiner, P.
登録日2012-05-11
公開日2012-12-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Highly potent aminopyridines as Syk kinase inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
5LFN
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BU of 5lfn by Molmil
Crystal structure of human chondroadherin
分子名称: CHLORIDE ION, Chondroadherin
著者Ramisch, S, Pramhed, A, Logan, D.T.
登録日2016-07-03
公開日2016-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human chondroadherin: solving a difficult molecular-replacement problem using de novo models.
Acta Crystallogr D Struct Biol, 73, 2017
3U2O
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BU of 3u2o by Molmil
Dihydroorotate Dehydrogenase (DHODH) crystal structure in complex with small molecule inhibitor
分子名称: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Lozoya, E, Segarra, V, Erra, M, Wenzkowski, C, Jestel, A, Krapp, S, Blaesse, M.
登録日2011-10-04
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Biaryl analogues of teriflunomide as potent DHODH inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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