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PDB: 889 results

3VBQ
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BU of 3vbq by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: (5~{Z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBY
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BU of 3vby by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: IMIDAZOLE, Serine/threonine-protein kinase pim-1, furan-2-yl(1H-indol-3-yl)methanone
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
6PW1
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BU of 6pw1 by Molmil
Cytochrome c Oxidase delta 16
Descriptor: (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ...
Authors:Liu, J, Ferguson-Miller, S.
Deposit date:2019-07-21
Release date:2019-11-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural changes at the surface of cytochrome c oxidase alter the proton-pumping stoichiometry.
Biochim Biophys Acta Bioenerg, 1861, 2019
3VBW
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BU of 3vbw by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: 1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
6PW0
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BU of 6pw0 by Molmil
Cytochrome C oxidase delta 6 mutant
Descriptor: (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ...
Authors:Liu, J, Ferguson-Miller, S.
Deposit date:2019-07-21
Release date:2019-11-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural changes at the surface of cytochrome c oxidase alter the proton-pumping stoichiometry.
Biochim Biophys Acta Bioenerg, 1861, 2019
8GW3
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BU of 8gw3 by Molmil
Crystal structure of human TAK1 kinase domain fused with TAB1
Descriptor: Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
Authors:Liu, J, Sun, W, Gao, J.
Deposit date:2022-09-16
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of human TAK1 kinase domain fused with TAB1
To Be Published
3VC4
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BU of 3vc4 by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: (5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione, IMIDAZOLE, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-03
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBX
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BU of 3vbx by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: 6-bromo-4-hydroxy-2H-chromen-2-one, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBT
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BU of 3vbt by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: 4-chloro-2-(1H-pyrazol-3-yl)phenol, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3UIA
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BU of 3uia by Molmil
Structural Determinants of Trimerization Specificity in HIV-1 gp41 Protein
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Glycoprotein 41
Authors:Liu, J, Lu, M.
Deposit date:2011-11-04
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Determinants of Trimerization Specificity in HIV-1 gp41 Protein
To be Published
6WXJ
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BU of 6wxj by Molmil
CSF1R signaling is a regulator of pathogenesis in progressive MS
Descriptor: 4-(3-{[(2S)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine, Macrophage colony-stimulating factor 1 receptor
Authors:Liu, J.
Deposit date:2020-05-10
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:CSF1R signaling is a regulator of pathogenesis in progressive MS.
Cell Death Dis, 11, 2020
7SO7
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BU of 7so7 by Molmil
Novel structural insights for a pair of monoclonal antibodies recognizing non-overlapping epitopes of the glucosyltransferase domain of Clostridium difficile toxin B
Descriptor: FAB B1 LC, Fab B1 HC, Toxin B
Authors:Liu, J.
Deposit date:2021-10-29
Release date:2022-05-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Novel structural insights for a pair of monoclonal antibodies recognizing non-overlapping epitopes of the glucosyltransferase domain of Clostridium difficile toxin B.
Curr Res Struct Biol, 4, 2022
7SO5
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BU of 7so5 by Molmil
Novel structural insights for a pair of monoclonal antibodies recognizing non-overlapping epitopes of the glucosyltransferase domain of Clostridium difficile toxin B
Descriptor: Fab B2 HC, Fab B2 LC, Toxin B
Authors:Liu, J.
Deposit date:2021-10-29
Release date:2022-05-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:Novel structural insights for a pair of monoclonal antibodies recognizing non-overlapping epitopes of the glucosyltransferase domain of Clostridium difficile toxin B.
Curr Res Struct Biol, 4, 2022
8IB0
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BU of 8ib0 by Molmil
The amyloid structure of mouse RIPK1 RHIM-containing domain by solid-state NMR
Descriptor: Receptor-interacting serine/threonine-protein kinase 1
Authors:Liu, J, Xialian, W.
Deposit date:2023-02-09
Release date:2023-03-22
Last modified:2024-08-28
Method:SOLID-STATE NMR
Cite:The structure of mouse RIPK1 RHIM-containing domain as a homo-amyloid and in RIPK1/RIPK3 complex.
Nat Commun, 15, 2024
4MJ5
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BU of 4mj5 by Molmil
Crystal Structure of HLA-A*1101 in complex with H1-22, an influenza A(H1N1) virus epitope
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-11 alpha chain, ...
Authors:Liu, J, Tan, S, Zhao, M, Qi, J, Gao, G.F.
Deposit date:2013-09-03
Release date:2014-10-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Cross-immunity Against Avian Influenza A(H7N9) Virus in the Healthy Population Is Affected by Antigenicity-Dependent Substitutions.
J.Infect.Dis., 214, 2016
4MJ6
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BU of 4mj6 by Molmil
Crystal Structure of HLA-A*1101 in complex with H7-22, an influenza A(H7N9) virus epitope
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-11 alpha chain, ...
Authors:Liu, J, Tan, S, Zhao, M, Qi, J, Gao, G.F.
Deposit date:2013-09-03
Release date:2014-10-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Cross-immunity Against Avian Influenza A(H7N9) Virus in the Healthy Population Is Affected by Antigenicity-Dependent Substitutions.
J.Infect.Dis., 214, 2016
5YJ8
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BU of 5yj8 by Molmil
Identification of a small molecule inhibitor for the Tudor domain of TDRD3
Descriptor: 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one, SULFATE ION, Tudor domain-containing protein 3
Authors:Liu, J, Ruan, K.
Deposit date:2017-10-09
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Structural plasticity of the TDRD3 Tudor domain probed by a fragment screening hit.
FEBS J., 285, 2018
1JCC
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BU of 1jcc by Molmil
Crystal Structure of a Novel Alanine-Zipper Trimer at 1.7 A Resolution, V13A,L16A,V20A,L23A,V27A,M30A,V34A mutations
Descriptor: MAJOR OUTER MEMBRANE LIPOPROTEIN, ZINC ION
Authors:Liu, J, Dai, J, Lu, M.
Deposit date:2001-06-08
Release date:2003-06-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Zinc-Mediated Helix Capping in A Triple-Helical Protein
Biochemistry, 42, 2003
4K7A
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BU of 4k7a by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with minoxidil
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, 6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE, Androgen receptor
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2013-04-16
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Crystal structure of the androgen receptor ligand binding domain in complex with minoxidil
To be Published
6U2S
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BU of 6u2s by Molmil
Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus
Descriptor: Bi-component leukocidin LukED subunit D, fos-choline-14
Authors:Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M.
Deposit date:2019-08-20
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
6U33
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BU of 6u33 by Molmil
Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus
Descriptor: Bi-component leukocidin LukED subunit D, NICKEL (II) ION
Authors:Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M.
Deposit date:2019-08-21
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
6U3F
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BU of 6u3f by Molmil
Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus
Descriptor: Panton-Valentine Leucocidin F, SULFATE ION, fos-choline-14
Authors:Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M.
Deposit date:2019-08-21
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
6U3T
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BU of 6u3t by Molmil
Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus
Descriptor: Alpha-hemolysin, SULFATE ION, fos-choline-14
Authors:Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M.
Deposit date:2019-08-22
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
6U4P
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BU of 6u4p by Molmil
Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus
Descriptor: Alpha-hemolysin, SULFATE ION, fos-choline-14
Authors:Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M.
Deposit date:2019-08-26
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
5X56
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BU of 5x56 by Molmil
Crystal structure of PSB27 from Arabidopsis thaliana
Descriptor: Photosystem II repair protein PSB27-H1, chloroplastic
Authors:Liu, J, Cheng, X.
Deposit date:2017-02-15
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Psb27 from Arabidopsis thaliana determined at a resolution of 1.85 angstrom.
Photosyn. Res., 136, 2018

227561

数据于2024-11-20公开中

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