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3DPC
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BU of 3dpc by Molmil
Structure of E.coli Alkaline Phosphatase Mutant in Complex with a Phosphorylated Peptide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkaline phosphatase, PHOSPHATE ION, ...
著者Wang, W.H, Jiang, T.
登録日2008-07-07
公開日2009-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of a universal phosphorylated peptide-binding protein for simultaneous assay of kinases
Biosens.Bioelectron., 24, 2009
3L95
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BU of 3l95 by Molmil
Crystal structure of the human Notch1 Negative Regulatory Region (NRR) bound to the fab fragment of an antagonist antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neurogenic locus notch homolog protein 1, ...
著者Hymowitz, S.G, de Leon, G.P.
登録日2010-01-04
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Therapeutic antibody targeting of individual Notch receptors.
Nature, 464, 2010
4JO3
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BU of 4jo3 by Molmil
Crystal structure of rabbit mAb R20 Fab in complex with V3 C-terminus of HIV-1 Consensus B gp120
分子名称: SULFATE ION, gp120, monoclonal anti-HIV-1 gp120 V3 antibody R20 heavy chain, ...
著者Pan, R.M, Kong, X.P.
登録日2013-03-16
公開日2013-07-31
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Rabbit Anti-HIV-1 Monoclonal Antibodies Raised by Immunization Can Mimic the Antigen-Binding Modes of Antibodies Derived from HIV-1-Infected Humans.
J.Virol., 87, 2013
4JO4
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BU of 4jo4 by Molmil
Crystal structure of rabbit mAb R20 Fab
分子名称: PENTAETHYLENE GLYCOL, SULFATE ION, monoclonal anti-HIV-1 gp120 V3 antibody R20 heavy chain, ...
著者Pan, R.M, Kong, X.P.
登録日2013-03-16
公開日2013-07-31
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Rabbit Anti-HIV-1 Monoclonal Antibodies Raised by Immunization Can Mimic the Antigen-Binding Modes of Antibodies Derived from HIV-1-Infected Humans.
J.Virol., 87, 2013
2EWO
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BU of 2ewo by Molmil
X-ray structure of putative agmatine deiminase Q8DW17, Northeast Structural Genomics target SmR6.
分子名称: Putative agmatine deiminase
著者Kuzin, A.P, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2005-11-04
公開日2005-12-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray structure of putative agmatine deiminase Q8DW17, Northeast Structural Genomics target SmR6.
TO BE PUBLISHED
3TY0
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BU of 3ty0 by Molmil
Structure of PPARgamma ligand binding domain in complex with (R)-5-(3-((3-(6-methoxybenzo[d]isoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)phenyl)-5-methyloxazolidine-2,4-dione
分子名称: (5R)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
著者Soisson, S.M, Meinke, P.M, McKeever, B, Liu, W.
登録日2011-09-23
公開日2011-11-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Benzimidazolones: a new class of selective peroxisome proliferator-activated receptor gamma (PPAR-gamma) modulators.
J.Med.Chem., 54, 2011
4OYD
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BU of 4oyd by Molmil
Crystal structure of a computationally designed inhibitor of an Epstein-Barr viral Bcl-2 protein
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, Computationally designed Inhibitor
著者Shen, B, Procko, E, Baker, D, Stoddard, B.
登録日2014-02-11
公開日2014-07-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A computationally designed inhibitor of an epstein-barr viral bcl-2 protein induces apoptosis in infected cells.
Cell, 157, 2014
2QYN
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BU of 2qyn by Molmil
Crystal structure of PDE4D2 in complex with inhibitor NPV
分子名称: 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid, MAGNESIUM ION, ZINC ION, ...
著者Ke, H.
登録日2007-08-15
公開日2008-04-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structures of the four subfamilies of phosphodiesterase-4 provide insight into the selectivity of their inhibitors.
Biochem.J., 408, 2007
6LNW
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BU of 6lnw by Molmil
Crystal structure of accessory secretory protein 1,2 and 3 in Streptococcus pneumoniae
分子名称: Accessory secretory protein Asp1, Accessory secretory protein Asp2, Accessory secretory protein Asp3
著者Guo, C, Feng, Z, Zuo, G.
登録日2020-01-02
公開日2020-02-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and functional insights into the Asp1/2/3 complex mediated secretion of pneumococcal serine-rich repeat protein PsrP.
Biochem.Biophys.Res.Commun., 524, 2020
8TAD
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BU of 8tad by Molmil
RTA in complex with inhibitor RUNT-206
分子名称: (9aM)-5,5-dimethyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid, CHLORIDE ION, NONAETHYLENE GLYCOL, ...
著者Rudolph, M.J, Tumer, N.
登録日2023-06-27
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin.
Bioorg.Med.Chem., 100, 2024
8TBQ
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BU of 8tbq by Molmil
The crystal structure of human VISTA extra cellular domain in complex with Fab fragment of pH-selective anti-VISTA antibody
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, SNS-101 Fab heavy chain, ...
著者van der Horst, E.H, Mukherjee, A, Thisted, T.
登録日2023-06-29
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.593 Å)
主引用文献The pH-selective anti-VISTA antibody SNS-101 displays a favorable pharmacokinetic and safety profile and promotes anti-tumoral M1 macrophage polarization in PD-1 refractory settings
To Be Published
8T9V
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BU of 8t9v by Molmil
RTA-RUNT-59 complex structure
分子名称: (9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid, NONAETHYLENE GLYCOL, Ricin
著者Rudolph, M.J, Tumer, N.
登録日2023-06-26
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.945 Å)
主引用文献Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin.
Bioorg.Med.Chem., 100, 2024
8TAB
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BU of 8tab by Molmil
RTA-PD00589
分子名称: 1,2-ETHANEDIOL, 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid, CHLORIDE ION, ...
著者Rudolph, M.J, Tumer, N.
登録日2023-06-27
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin.
Bioorg.Med.Chem., 100, 2024
6LNM
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BU of 6lnm by Molmil
Crystal structure of CASK-CaMK in complex with Mint1-CID
分子名称: Amyloid-beta A4 precursor protein-binding family A member 1, Peripheral plasma membrane protein CASK
著者Cai, Q, Zhang, M.
登録日2019-12-31
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for the High-Affinity Interaction between CASK and Mint1.
Structure, 28, 2020
3D7H
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BU of 3d7h by Molmil
A high resolution crystal structure of human glutamate carboxypeptidase II (GCPII) in a complex with DCIBzL, a urea-based inhibitor
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, CALCIUM ION, ...
著者Lubkowski, J, Barinka, C.
登録日2008-05-21
公開日2008-12-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Interactions between Human Glutamate Carboxypeptidase II and Urea-Based Inhibitors: Structural Characterization
J.Med.Chem., 51, 2008
7DG4
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BU of 7dg4 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 6
分子名称: 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-10
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
8TTW
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BU of 8ttw by Molmil
Cryo-EM structure of BG505 SOSIP.664 HIV-1 Env trimer in complex with temsavir, 8ANC195, and 10-1074
分子名称: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Tolbert, W.D, Pozharski, E, Pazgier, M.
登録日2023-08-15
公開日2023-11-08
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
7DH9
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BU of 7dh9 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 7
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-13
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHC
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BU of 7dhc by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 10
分子名称: 4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-13
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.592 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHH
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BU of 7dhh by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 19
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-14
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.486 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHN
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BU of 7dhn by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 20
分子名称: 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-16
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHK
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BU of 7dhk by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 13
分子名称: 2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-16
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.341 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHV
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BU of 7dhv by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 8
分子名称: 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-17
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.679 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHO
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BU of 7dho by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 14
分子名称: 2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-16
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DJO
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BU of 7djo by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 17
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-20
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022

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