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PDB: 1075 件

4N9D
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Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide, Nicotinamide phosphoribosyltransferase, ...
著者Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
登録日2013-10-20
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
4N9C
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Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 5-nitro-1H-benzimidazole, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
登録日2013-10-20
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
6E6S
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BU of 6e6s by Molmil
1.45 A resolution structure of the C-terminally truncated [2Fe-2S] ferredoxin (Bfd) R26E/K46Y mutant from Pseudomonas aeruginosa
分子名称: Bacterioferritin-associated ferredoxin, FE2/S2 (INORGANIC) CLUSTER
著者Lovell, S, Wijerathne, H, Battaile, K.P, Yao, H, Wang, Y, Rivera, M.
登録日2018-07-25
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Bfd, a New Class of [2Fe-2S] Protein That Functions in Bacterial Iron Homeostasis, Requires a Structural Anion Binding Site.
Biochemistry, 57, 2018
8W88
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Cryo-EM structure of the SEP363856-bound TAAR1-Gs complex
分子名称: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
登録日2023-09-01
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
5KJU
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BU of 5kju by Molmil
Crystal structure of Arabidopsis thaliana HCT in complex with p-coumaroylshikimate
分子名称: (3~{R},4~{S},5~{R})-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid, Shikimate O-hydroxycinnamoyltransferase
著者Levsh, O, Chiang, Y.C, Tung, C.F, Noel, J.P, Wang, Y, Weng, J.K.
登録日2016-06-20
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase.
Biochemistry, 55, 2016
8W8B
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BU of 8w8b by Molmil
Cryo-EM structure of SEP-363856 bounded serotonin 1A (5-HT1A) receptor-Gi protein complex
分子名称: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Antibody fragment scFv16, CHOLESTEROL, ...
著者Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
登録日2023-09-01
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W87
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Cryo-EM structure of the METH-TAAR1 complex
分子名称: (2S)-N-methyl-1-phenylpropan-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
登録日2023-09-01
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W8A
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Cryo-EM structure of the RO5256390-TAAR1 complex
分子名称: (4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-imine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
登録日2023-09-01
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W89
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Cryo-EM structure of the PEA-bound TAAR1-Gs complex
分子名称: 2-PHENYLETHYLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
登録日2023-09-01
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
6E6Q
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BU of 6e6q by Molmil
1.20 A resolution structure of the C-terminally truncated [2Fe-2S] ferredoxin (Bfd) from Pseudomonas aeruginosa
分子名称: Bacterioferritin-associated ferredoxin, FE2/S2 (INORGANIC) CLUSTER
著者Lovell, S, Wijerathne, H, Battaile, K.P, Yao, H, Wang, Y, Rivera, M.
登録日2018-07-25
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Bfd, a New Class of [2Fe-2S] Protein That Functions in Bacterial Iron Homeostasis, Requires a Structural Anion Binding Site.
Biochemistry, 57, 2018
6E6R
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BU of 6e6r by Molmil
1.50 A resolution structure of the C-terminally truncated [2Fe-2S] ferredoxin (Bfd) R26E mutant from Pseudomonas aeruginosa
分子名称: Bacterioferritin-associated ferredoxin, FE2/S2 (INORGANIC) CLUSTER
著者Lovell, S, Wijerathne, H, Battaile, K.P, Yao, H, Wang, Y, Rivera, M.
登録日2018-07-25
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Bfd, a New Class of [2Fe-2S] Protein That Functions in Bacterial Iron Homeostasis, Requires a Structural Anion Binding Site.
Biochemistry, 57, 2018
4XKL
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BU of 4xkl by Molmil
Crystal structure of NDP52 ZF2 in complex with mono-ubiquitin
分子名称: ACETATE ION, Calcium-binding and coiled-coil domain-containing protein 2, GLYCEROL, ...
著者Xie, X, Li, F, Wang, Y, Lin, Z, Chen, X, Liu, J, Pan, L.
登録日2015-01-12
公開日2015-11-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2
Autophagy, 11, 2015
1MRH
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BU of 1mrh by Molmil
STUDIES ON CRYSTAL STRUCTURES ACTIVE CENTER GEOMETRY AND DEPURINE MECHANISM OF TWO RIBOSOME-INACTIVATING PROTEINS
分子名称: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, ALPHA-MOMORCHARIN
著者Huang, Q, Liu, S, Tang, Y, Jin, S, Wang, Y.
登録日1994-07-01
公開日1995-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Studies on crystal structures, active-centre geometry and depurinating mechanism of two ribosome-inactivating proteins.
Biochem.J., 309, 1995
1MRK
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BU of 1mrk by Molmil
STUDIES ON CRYSTAL STRUCTURES ACTIVE CENTER GEOMETRY AND DEPURINE MECHANISM OF TWO RIBOSOME-INACTIVATING PROTEINS
分子名称: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, ALPHA-TRICHOSANTHIN
著者Huang, Q, Liu, S, Tang, Y, Jin, S, Wang, Y.
登録日1994-07-01
公開日1995-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Studies on crystal structures, active-centre geometry and depurinating mechanism of two ribosome-inactivating proteins.
Biochem.J., 309, 1995
6EG5
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BU of 6eg5 by Molmil
The structure of SB-1-202-tubulin complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
著者Banerjee, A.K, Wang, Y, Chen, H, Miller, D, Li, W.
登録日2018-08-18
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The structure of SB-1-202/SB-2-204-tubulin complex
To Be Published
6MQC
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BU of 6mqc by Molmil
Vaccine-elicited NHP FP-targeting neutralizing antibody 0PV-c.01 in complex with FP (residue 512-519)
分子名称: 0PV-C.01 antibody Fab heavy chain, 0PV-C.01 antibody Fab light chain, HIV fusion peptide residue 512-519
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2019-11-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
2R9M
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BU of 2r9m by Molmil
Cathepsin S complexed with Compound 15
分子名称: Cathepsin S, N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
著者Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M.
登録日2007-09-13
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
To be Published
1MRG
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BU of 1mrg by Molmil
STUDIES ON CRYSTAL STRUCTURES ACTIVE CENTER GEOMETRY AND DEPURINE MECHANISM OF TWO RIBOSOME-INACTIVATING PROTEINS
分子名称: ADENOSINE, ALPHA-MOMORCHARIN
著者Huang, Q, Liu, S, Tang, Y, Jin, S, Wang, Y.
登録日1994-07-01
公開日1995-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Studies on crystal structures, active-centre geometry and depurinating mechanism of two ribosome-inactivating proteins.
Biochem.J., 309, 1995
6MQM
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BU of 6mqm by Molmil
Vaccine-elicited NHP FP-targeting neutralizing antibody DF1W-a.01 in complex with HIV fusion peptide (residue 512-519)
分子名称: HIV Env fusion peptide residue 512-519, antibody Fab heavy chain, antibody Fab 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 (3.484 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6MQR
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BU of 6mqr by Molmil
Vaccine-elicited NHP FP-targeting neutralizing antibody 0PV-a.01 in complex with FP (residue 512-519)
分子名称: CALCIUM ION, HIV fusion peptide residue 512-519, SULFATE ION, ...
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 (2.45 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6N16
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BU of 6n16 by Molmil
Vaccine-elicited NHP FP-targeting neutralizing antibody 0PV-b.01 in complex with HIV fusion peptide (residue 512-519)
分子名称: HIV fusion peptide (512-519), antibody 0PV-b.01 Fab heavy chain, antibody 0PV-b.01 Fab light chain
著者Xu, K, Wang, Y, Kwong, P.D.
登録日2018-11-08
公開日2019-07-31
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6MQE
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BU of 6mqe by Molmil
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
1MRJ
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BU of 1mrj by Molmil
STUDIES ON CRYSTAL STRUCTURES ACTIVE CENTER GEOMETRY AND DEPURINE MECHANISM OF TWO RIBOSOME-INACTIVATING PROTEINS
分子名称: ADENOSINE, ALPHA-TRICHOSANTHIN
著者Huang, Q, Liu, S, Tang, Y, Jin, S, Wang, Y.
登録日1994-07-01
公開日1995-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Studies on crystal structures, active-centre geometry and depurinating mechanism of two ribosome-inactivating proteins.
Biochem.J., 309, 1995
8DOF
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BU of 8dof by Molmil
Pseudomonas aeruginosa MurC with WYH9-2-P - OSA_001044
分子名称: (2R)-2-cyclohexyl-2-[(4-{[5-(propan-2-yl)-1H-pyrazol-3-yl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]ethan-1-ol, 1,2-ETHANEDIOL, SULFATE ION, ...
著者Horanyi, P.S, Wang, Y, Todd, M.H, Abendroth, J, Edwards, T, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-07-13
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Pseudomonas aeruginosa MurC with WYH9-2-P - OSA_001044
To Be Published

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