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3UAT
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BU of 3uat by Molmil
Guanylate Kinase Domains of the MAGUK Family Scaffold Proteins as Specific Phospho-Protein Binding Modules
Descriptor: Disks large homolog 1, phosphor-LGN peptide
Authors:Shang, Y, Zhu, J, Wen, W, Zhang, M.
Deposit date:2011-10-22
Release date:2011-12-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Guanylate kinase domains of the MAGUK family scaffold proteins as specific phospho-protein-binding modules
Embo J., 2011
4R0P
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BU of 4r0p by Molmil
Ifqins, an amyloid forming segment from human lysozyme spanning residues 56-61
Descriptor: Lysozyme C
Authors:Sievers, S, Eisenberg, D.S, Sawaya, M.R.
Deposit date:2014-08-01
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure-based design of functional amyloid materials.
J.Am.Chem.Soc., 136, 2014
4QZT
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BU of 4qzt by Molmil
Crystal Structure of wild type Human Cellular Retinol Binding Protein II (hCRBPII) bound to retinol at 7 KeV beam energy
Descriptor: ACETATE ION, RETINOL, Retinol-binding protein 2
Authors:Assar, Z, Geiger, J.H.
Deposit date:2014-07-28
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of holo wild-type human cellular retinol-binding protein II (hCRBPII) bound to retinol and retinal.
Acta Crystallogr.,Sect.D, 70, 2014
4R0W
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BU of 4r0w by Molmil
Vvtgvta, an amyloid forming segment from alpha synuclein, residues 70-76
Descriptor: Alpha-synuclein
Authors:Ivanova, M.I, Eisenberg, D.S, Sawaya, M.R.
Deposit date:2014-08-01
Release date:2014-12-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based design of functional amyloid materials.
J.Am.Chem.Soc., 136, 2014
4GEH
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BU of 4geh by Molmil
Crystal structure of MST4 dimerization domain complex with PDCD10
Descriptor: Programmed cell death protein 10, Serine/threonine-protein kinase MST4
Authors:Zhang, M, Shi, Z.B, Zhou, Z.C.
Deposit date:2012-08-02
Release date:2013-04-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural mechanism of CCM3 heterodimerization with GCKIII kinases
Structure, 21, 2013
7E3L
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BU of 7e3l by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 58G6 heavy chain, 58G6 light chain, ...
Authors:Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
Deposit date:2021-02-09
Release date:2021-09-15
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
7E3K
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BU of 7e3k by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
Descriptor: 13G9 heavy chain, 13G9 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
Deposit date:2021-02-09
Release date:2021-09-15
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
5ZBE
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BU of 5zbe by Molmil
Crystal structure of AerE from Microcystis aeruginosa
Descriptor: Cupin domain protein, FE (II) ION, TRIETHYLENE GLYCOL
Authors:Qiu, X.
Deposit date:2018-02-11
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional insights into the role of a cupin superfamily isomerase in the biosynthesis of Choi moiety of aeruginosin.
J. Struct. Biol., 205, 2019
4LOH
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BU of 4loh by Molmil
Crystal structure of hSTING(H232) in complex with c[G(2',5')pA(3',5')p]
Descriptor: Stimulator of interferon genes protein, cGAMP
Authors:Gao, P, Patel, D.J.
Deposit date:2013-07-12
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013
4LOJ
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BU of 4loj by Molmil
Crystal structure of mSting in complex with c[G(2',5')pA(3',5')p]
Descriptor: Stimulator of interferon genes protein, cGAMP
Authors:Gao, P, Patel, D.J.
Deposit date:2013-07-12
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013
6C9N
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BU of 6c9n by Molmil
Mycobacterium tuberculosis adenosine kinase bound to sangivamycin
Descriptor: Adenosine kinase, GLYCEROL, SANGIVAMYCIN, ...
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-28
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6C9S
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BU of 6c9s by Molmil
Mycobacterium tuberculosis adenosine kinase bound to (2R,3R,4S,5R)-2-(6-([1,1'-biphenyl]-4-ylethynyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Descriptor: 6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purine, Adenosine kinase, SODIUM ION, ...
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-28
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6C9Q
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BU of 6c9q by Molmil
Mycobacterium tuberculosis adenosine kinase bound to 5'-aminoadenosine
Descriptor: 5'-amino-5'-deoxyadenosine, Adenosine kinase
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-28
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6C9R
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BU of 6c9r by Molmil
Mycobacterium tuberculosis adenosine kinase bound to (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(thiophen-3-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
Descriptor: 9-beta-D-ribofuranosyl-6-(thiophen-3-yl)-9H-purine, Adenosine kinase, GLYCEROL, ...
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-28
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
4LOL
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BU of 4lol by Molmil
Crystal structure of mSting in complex with DMXAA
Descriptor: (5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid, Stimulator of interferon genes protein
Authors:Gao, P, Patel, D.J.
Deposit date:2013-07-12
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013
4LOI
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BU of 4loi by Molmil
Crystal structure of hSTING(H232) in complex with c[G(2',5')pA(2',5')p]
Descriptor: 2-amino-9-[(1R,3R,6R,8R,9R,11S,14R,16R,17R,18R)-16-(6-amino-9H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxido-2,4,7,10,12,15-hexaoxa-3,11-diphosphatricyclo[12.2.1.1~6,9~]octadec-8-yl]-1,9-dihydro-6H-purin-6-one, PHOSPHATE ION, Stimulator of interferon genes protein
Authors:Gao, P, Patel, D.J.
Deposit date:2013-07-12
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013
4LOK
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BU of 4lok by Molmil
Crystal structure of mSting in complex with c[G(3',5')pA(3',5')p]
Descriptor: 2-amino-9-[(2R,3R,3aR,5S,7aS,9R,10R,10aR,12R,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon genes protein
Authors:Gao, P, Patel, D.J.
Deposit date:2013-07-12
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013
3KDU
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BU of 3kdu by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-((4-methylphenoxy)carbonyl)glycine
Descriptor: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine, Peroxisome proliferator-activated receptor alpha
Authors:Muckelbauer, J.K.
Deposit date:2009-10-23
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
7LVM
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BU of 7lvm by Molmil
CASP8 isoform B DED domain
Descriptor: Caspase-8
Authors:Weichert, K, Lu, F, Kodandapani, L, Sauder, J.M.
Deposit date:2021-02-25
Release date:2022-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Caspase-8 Variant G Regulates Rheumatoid Arthritis Fibroblast-Like Synoviocyte Aggressive Behavior.
ACR Open Rheumatol, 4, 2022
7LVJ
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BU of 7lvj by Molmil
CASP8 isoform G DED domain
Descriptor: Isoform 9 of Caspase-8
Authors:Weichert, K, Lu, F, Kodandapani, L, Sauder, J.M.
Deposit date:2021-02-25
Release date:2022-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Caspase-8 Variant G Regulates Rheumatoid Arthritis Fibroblast-Like Synoviocyte Aggressive Behavior.
ACR Open Rheumatol, 4, 2022
4C0P
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BU of 4c0p by Molmil
Unliganded Transportin 3
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, TRANSPORTIN-3
Authors:Maertens, G.N, Cook, N.J, Hare, S, Cherepanov, P.
Deposit date:2013-08-06
Release date:2014-01-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural Basis for Nuclear Import of Splicing Factors by Human Transportin 3.
Proc.Natl.Acad.Sci.USA, 111, 2014
3LBL
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BU of 3lbl by Molmil
Structure of human MDM2 protein in complex with Mi-63-analog
Descriptor: (2'R,3R,4'R,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2
Authors:Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A.
Deposit date:2010-01-08
Release date:2010-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery
Cell Cycle, 9, 2010
3LBK
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BU of 3lbk by Molmil
Structure of human MDM2 protein in complex with a small molecule inhibitor
Descriptor: 6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A.
Deposit date:2010-01-08
Release date:2010-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery
Cell Cycle, 9, 2010
7MK1
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BU of 7mk1 by Molmil
Structure of a protein-modified aptamer complex
Descriptor: Antiviral innate immune response receptor RIG-I, DNA (41-MER), MAGNESIUM ION, ...
Authors:Ren, X, Pyle, A.M.
Deposit date:2021-04-21
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Evolving A RIG-I Antagonist: A Modified DNA Aptamer Mimics Viral RNA.
J.Mol.Biol., 433, 2021
6KLR
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BU of 6klr by Molmil
Crystal structure of human WIPI3 in complex with the WIR-peptide from ATG2A
Descriptor: chimera ATG2A and WIPI3
Authors:Ren, J.Q, Liang, R.B, Feng, W.
Deposit date:2019-07-30
Release date:2020-04-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Multi-site-mediated entwining of the linear WIR-motif around WIPI beta-propellers for autophagy.
Nat Commun, 11, 2020

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