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7F6Z
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BU of 7f6z by Molmil
Complex Structure of antibody BD-503 and RBD-501Y.V2 of COVID-19
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of BD-503, Light Chain of BD-503, ...
Authors:Xu, H, Wang, B, Zhao, T.N, Su, X.D.
Deposit date:2021-06-26
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-based analyses of neutralization antibodies interacting with naturally occurring SARS-CoV-2 RBD variants.
Cell Res., 31, 2021
4S0T
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BU of 4s0t by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND WITH ADNECTIN-1 AND COMPOUND-1
Descriptor: Adnectin-1, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide, Nuclear receptor subfamily 1 group I member 2
Authors:Khan, J.A, Camac, D.M.
Deposit date:2015-01-05
Release date:2015-02-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR.
J.Mol.Biol., 427, 2015
4S0S
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BU of 4s0s by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN with ADNECTIN-1
Descriptor: Adnectin-1, Nuclear receptor subfamily 1 group I member 2
Authors:Khan, J.A.
Deposit date:2015-01-05
Release date:2015-02-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR.
J.Mol.Biol., 427, 2015
7E8C
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BU of 7e8c by Molmil
SARS-CoV-2 S-6P in complex with 9 Fabs
Descriptor: 368-2 H, 368-2 L, 604 H, ...
Authors:Du, S, Xiao, J, Zhang, Z.
Deposit date:2021-03-01
Release date:2021-06-09
Last modified:2021-07-14
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
3FB2
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BU of 3fb2 by Molmil
Crystal structure of the human brain alpha spectrin repeats 15 and 16. Northeast Structural Genomics Consortium target HR5563a.
Descriptor: Spectrin alpha chain, brain spectrin
Authors:Vorobiev, S.M, Su, M, Seetharaman, J, Shastry, R, Foote, E.L, Ciccosanti, C, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-11-18
Release date:2008-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the human brain alpha spectrin repeats 15 and 16.
To be Published
5D1W
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BU of 5d1w by Molmil
Crystal structure of Mycobacterium tuberculosis Rv3249c transcriptional regulator.
Descriptor: PALMITIC ACID, Rv3249c transcriptional regulator
Authors:Chou, T.-H, Delmar, J, Su, C.-C, Yu, E.
Deposit date:2015-08-04
Release date:2015-09-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Structural Basis for the Regulation of the MmpL Transporters of Mycobacterium tuberculosis.
J.Biol.Chem., 290, 2015
4L6E
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BU of 4l6e by Molmil
Crystal Structure of the RanBD1 fourth domain of E3 SUMO-protein ligase RanBP2. Northeast Structural Genomics Consortium (NESG) Target HR9193b
Descriptor: E3 SUMO-protein ligase RanBP2
Authors:Vorobiev, S, Su, M, Seetharaman, J, Mao, L, Xiao, R, Maglaqui, M, Kogan, S, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-06-12
Release date:2013-06-26
Method:X-RAY DIFFRACTION (2.496 Å)
Cite:Crystal Structure of the RanBD1 fourth domain of E3 SUMO-protein ligase RanBP2.
To be Published
5IJB
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BU of 5ijb by Molmil
The ligand-free structure of the mouse TLR4/MD-2 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte antigen 96, ...
Authors:Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B.
Deposit date:2016-03-01
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS.
Proc.Natl.Acad.Sci.USA, 113, 2016
4MO1
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BU of 4mo1 by Molmil
Crystal structure of antitermination protein Q from bacteriophage lambda. Northeast Structural Genomics Consortium target OR18A.
Descriptor: Antitermination protein Q, BROMIDE ION, CHLORIDE ION, ...
Authors:Vorobiev, S, Su, M, Nickels, B, Seetharaman, J, Sahdev, S, Xiao, R, Kogan, S, Maglaqui, M, Wang, D, Everett, J.K, Acton, T.B, Ebright, R.H, Montelione, G.T, Hunt, J, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-09-11
Release date:2013-09-25
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Crystal structure of antitermination protein Q from bacteriophage lambda.
To be Published
3HNP
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BU of 3hnp by Molmil
Crystal Structure of an Oxidoreductase from Bacillus cereus. Northeast Structural Genomics Consortium target id BcR251
Descriptor: Oxidoreductase
Authors:Seetharaman, J, Su, M, Sahdev, S, Janjua, H, Xiao, R, Ciccosanti, C, Foote, E.L, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-05-31
Release date:2009-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of an Oxidoreductase from Bacillus cereus. Northeast Structural Genomics Consortium target id BcR251
TO BE PUBLISHED
7WAT
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BU of 7wat by Molmil
The Crystal Structure of Bifunctional Miltiradiene Synthase from Selaginella moellendorffii
Descriptor: Bifunctional diterpene synthase
Authors:Ma, X, Tong, Y, Jiang, T.
Deposit date:2021-12-15
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and mechanistic insights into the precise product synthesis by a bifunctional miltiradiene synthase.
Plant Biotechnol J, 21, 2023
6IMB
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BU of 6imb by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
Authors:Zhang, X, Su, H, Xu, Y.
Deposit date:2018-10-22
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
3PM7
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BU of 3pm7 by Molmil
Crystal Structure of EF_3132 protein from Enterococcus faecalis at the resolution 2A, Northeast Structural Genomics Consortium Target EfR184
Descriptor: DI(HYDROXYETHYL)ETHER, SULFATE ION, Uncharacterized protein
Authors:Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-11-16
Release date:2010-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Northeast Structural Genomics Consortium Target EfR184
To be Published
5EMP
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BU of 5emp by Molmil
Transcription factor GRDBD and mmGRE complex
Descriptor: DNA (5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*TP*GP*AP*TP*GP*TP*TP*CP*TP*G)-3'), DNA (5'-D(P*CP*CP*AP*GP*AP*AP*CP*AP*TP*(5CM)P*AP*TP*GP*TP*TP*CP*TP*G)-3'), Glucocorticoid receptor, ...
Authors:Lian, T, Jin, J, Su, X.
Deposit date:2015-11-06
Release date:2016-06-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The effects of cytosine methylation on general transcription factors
To Be Published
3SYX
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BU of 3syx by Molmil
Crystal Structure of the WH1 domain from human sprouty-related, EVH1 domain-containing protein. Northeast Structural Genomics Consortium Target HR5538B.
Descriptor: Sprouty-related, EVH1 domain-containing protein 1, YTTRIUM (III) ION
Authors:Vorobiev, S, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-07-18
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.453 Å)
Cite:Crystal Structure of the WH1 domain from human sprouty-related, EVH1 domain-containing protein.
To be Published
6IMI
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BU of 6imi by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
Authors:Zhang, X, Su, H, Xu, Y.
Deposit date:2018-10-23
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMD
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BU of 6imd by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
Authors:Zhang, X, Su, H, Xu, Y.
Deposit date:2018-10-22
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IM6
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BU of 6im6 by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-22
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMT
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BU of 6imt by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-23
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.483 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
8J7O
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BU of 8j7o by Molmil
Human pyruvate carboxylase in BCCP-CTS state without BC
Descriptor: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, Pyruvate carboxylase, mitochondrial
Authors:Liu, D.S, Su, J.Y.
Deposit date:2023-04-27
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.83 Å)
Cite:Human pyruvate carboxylase
To Be Published
6IND
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BU of 6ind by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-24
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.872 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6INM
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BU of 6inm by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-26
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMR
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BU of 6imr by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-23
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMO
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BU of 6imo by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-23
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
3P7J
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BU of 3p7j by Molmil
Drosophila HP1a chromo shadow domain
Descriptor: GLYCEROL, Heterochromatin protein 1
Authors:Kim, D, Chruszcz, M, Minor, W, Khorasanizadeh, S.
Deposit date:2010-10-12
Release date:2011-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The HP1a Disordered C Terminus and Chromo Shadow Domain Cooperate to Select Target Peptide Partners.
Chembiochem, 12, 2011

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