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2PP1
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BU of 2pp1 by Molmil
Crystal structure of L-talarate/galactarate dehydratase from Salmonella typhimurium LT2 liganded with Mg and L-lyxarohydroxamate
Descriptor: (2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID, L-talarate/galactarate dehydratase, MAGNESIUM ION
Authors:Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C.
Deposit date:2007-04-27
Release date:2007-08-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Evolution of enzymatic activities in the enolase superfamily: L-talarate/galactarate dehydratase from Salmonella typhimurium LT2.
Biochemistry, 46, 2007
5IEA
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BU of 5iea by Molmil
TRIM5 B-box2 and coiled-coil chimera
Descriptor: Tripartite motif-containing protein 5, Serine--tRNA ligase Chimera, ZINC ION
Authors:Wagner, J.M, Doss, G, Pornillos, O.
Deposit date:2016-02-25
Release date:2016-06-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.258 Å)
Cite:Mechanism of B-box 2 domain-mediated higher-order assembly of the retroviral restriction factor TRIM5 alpha.
Elife, 5, 2016
8QHC
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BU of 8qhc by Molmil
Cryo-EM structure of SidH from Legionella pneumophila in complex with LubX
Descriptor: E3 ubiquitin--protein ligase, Elongation factor Tu, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Sharma, R, Adams, M, Bhogaraju, S.
Deposit date:2023-09-07
Release date:2023-10-11
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for the toxicity of Legionella pneumophila effector SidH.
Nat Commun, 14, 2023
4IAJ
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BU of 4iaj by Molmil
Crystal structure of a conserved domain protein (SP_1775) from Streptococcus pneumoniae TIGR4 at 1.91 A resolution
Descriptor: 1,2-ETHANEDIOL, Conserved domain protein, MAGNESIUM ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-12-06
Release date:2013-02-06
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of a conserved domain protein (SP_1775) from Streptococcus pneumoniae TIGR4 at 1.91 A resolution
To be published
4R7E
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BU of 4r7e by Molmil
Structure of Bre1 RING domain
Descriptor: E3 ubiquitin-protein ligase BRE1, ZINC ION
Authors:Kumar, P, Wolberger, C.
Deposit date:2014-08-27
Release date:2015-05-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Structure of the yeast Bre1 RING domain.
Proteins, 83, 2015
6RHL
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BU of 6rhl by Molmil
Room temperature data of Galectin-3C in complex with a pair of enantiomeric ligands: R enantiomer
Descriptor: (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3
Authors:Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T.
Deposit date:2019-04-22
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.299 Å)
Cite:Are crystallographic B-factors suitable for calculating protein conformational entropy?
Phys Chem Chem Phys, 21, 2019
4Y07
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BU of 4y07 by Molmil
Crystal structure of the HECT domain of human WWP2
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP2
Authors:Gong, W, Li, J, Li, Z, Xu, Y.
Deposit date:2015-02-05
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.507 Å)
Cite:Structure of the HECT domain of human WWP2
Acta Crystallogr.,Sect.F, 71, 2015
4IAB
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BU of 4iab by Molmil
Crystal structure of a putative monosaccharide binding protein (BACUNI_03039) from Bacteroides uniformis ATCC 8492 at 1.70 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, UNKNOWN LIGAND, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-12-06
Release date:2013-02-27
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal structure of a hypothetical protein (BACUNI_03039) from Bacteroides uniformis ATCC 8492 at 1.66 A resolution
To be published
5C8S
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BU of 5c8s by Molmil
Crystal structure of the SARS coronavirus nsp14-nsp10 complex with functional ligands SAH and GpppA
Descriptor: GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, Guanine-N7 methyltransferase, MAGNESIUM ION, ...
Authors:Ma, Y.Y, Wu, L.J, Zhang, R.G, Rao, Z.H.
Deposit date:2015-06-26
Release date:2015-07-15
Last modified:2015-08-12
Method:X-RAY DIFFRACTION (3.326 Å)
Cite:Structural basis and functional analysis of the SARS coronavirus nsp14-nsp10 complex
Proc.Natl.Acad.Sci.USA, 112, 2015
7JUP
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BU of 7jup by Molmil
Structure of human TRPA1 in complex with antagonist compound 21
Descriptor: 1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one, Transient receptor potential cation channel subfamily A member 1
Authors:Rohou, A, Rouge, L.
Deposit date:2020-08-20
Release date:2021-03-31
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Tetrahydrofuran-Based Transient Receptor Potential Ankyrin 1 (TRPA1) Antagonists: Ligand-Based Discovery, Activity in a Rodent Asthma Model, and Mechanism-of-Action via Cryogenic Electron Microscopy.
J.Med.Chem., 64, 2021
6V3X
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BU of 6v3x by Molmil
Crystal structure of EED in complex with PALI1-K1241me3 peptide
Descriptor: PALI1 peptide, Polycomb protein EED
Authors:Zhang, Q, Davidovich, C.
Deposit date:2019-11-26
Release date:2021-05-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:PALI1 facilitates DNA and nucleosome binding by PRC2 and triggers an allosteric activation of catalysis.
Nat Commun, 12, 2021
7K27
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BU of 7k27 by Molmil
Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ATR inhibitor AZ20
Descriptor: 1,2-ETHANEDIOL, 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole, DIMETHYL SULFOXIDE, ...
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2020-09-08
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
6V3Y
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BU of 6v3y by Molmil
Crystal structure of EED in complex with PALI1-K1219me3 peptide
Descriptor: PALI1 peptide, Polycomb protein EED
Authors:Zhang, Q, Davidovich, C.
Deposit date:2019-11-26
Release date:2021-05-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:PALI1 facilitates DNA and nucleosome binding by PRC2 and triggers an allosteric activation of catalysis.
Nat Commun, 12, 2021
7K0D
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BU of 7k0d by Molmil
Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to mTORC1/2 inhibitor AZD3147
Descriptor: N-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-N'-(2-hydroxyethyl)thiourea, Transcription initiation factor TFIID subunit 1
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2020-09-04
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
7K0U
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BU of 7k0u by Molmil
Crystal structure of the second bromodomain (BD2) of human TAF1 bound to PLK1 kinase inhibitor BI2536
Descriptor: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2020-09-06
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
7K6F
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BU of 7k6f by Molmil
Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 in complex with MES (2-(N-morpholino)ethanesulfonic acid)
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Karim, M.R, Bikowitz, M.J, Schonbrunn, E.
Deposit date:2020-09-20
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
6EW6
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BU of 6ew6 by Molmil
Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand
Descriptor: B-cell lymphoma 6 protein, ~{N}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
Authors:Robb, G, Ferguson, A, Hargreaves, D.
Deposit date:2017-11-03
Release date:2018-10-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Development of a Novel B-Cell Lymphoma 6 (BCL6) PROTAC To Provide Insight into Small Molecule Targeting of BCL6.
ACS Chem. Biol., 13, 2018
3A7N
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BU of 3a7n by Molmil
Crystal structure of uracil-DNA glycosylase from Mycobacterium tuberculosis
Descriptor: CITRATE ANION, Uracil-DNA glycosylase
Authors:Kaushal, P.S, Talawar, R.K, Varshney, U, Vijayan, M.
Deposit date:2009-09-29
Release date:2010-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of uracil-DNA glycosylase from Mycobacterium tuberculosis: insights into interactions with ligands
Acta Crystallogr.,Sect.F, 66, 2010
6EW7
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BU of 6ew7 by Molmil
Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand
Descriptor: 2-chloranyl-4-[[5-chloranyl-4-[(4-fluorophenyl)amino]pyrimidin-2-yl]amino]benzoic acid, B-cell lymphoma 6 protein, CHLORIDE ION
Authors:Robb, G, Ferguson, A, Hargreaves, D.
Deposit date:2017-11-03
Release date:2018-10-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of a Novel B-Cell Lymphoma 6 (BCL6) PROTAC To Provide Insight into Small Molecule Targeting of BCL6.
ACS Chem. Biol., 13, 2018
2ZXZ
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BU of 2zxz by Molmil
Crystal structure of the human RXR alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide
Descriptor: 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid, GRIP1 from Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Sato, Y, Antony, P, Rochel, N, Moras, D, Structural Genomics Consortium for Research on Gene Expression (SGCGES)
Deposit date:2009-01-09
Release date:2009-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Silicon analogues of the RXR-selective retinoid agonist SR11237 (BMS649): chemistry and biology
Chemmedchem, 4, 2009
2ZY0
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BU of 2zy0 by Molmil
Crystal structure of the human RXR alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide
Descriptor: 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid, GRIP1 from Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Sato, Y, Antony, P, Rochel, N, Moras, D, Structural Genomics Consortium for Research on Gene Expression (SGCGES)
Deposit date:2009-01-09
Release date:2009-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Silicon analogues of the RXR-selective retinoid agonist SR11237 (BMS649): chemistry and biology
Chemmedchem, 4, 2009
4IYJ
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BU of 4iyj by Molmil
Crystal structure of a putative acylhydrolase (BACUNI_03406) from Bacteroides uniformis ATCC 8492 at 1.37 A resolution
Descriptor: CHLORIDE ION, GDSL-like protein, GLYCEROL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-01-28
Release date:2013-03-06
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Crystal structure of a putative acylhydrolase (BACUNI_03406) from Bacteroides uniformis ATCC 8492 at 1.37 A resolution
To be published
1DEF
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BU of 1def by Molmil
PEPTIDE DEFORMYLASE CATALYTIC CORE (RESIDUES 1-147), NMR, 9 STRUCTURES
Descriptor: PEPTIDE DEFORMYLASE, ZINC ION
Authors:Meinnel, T, Dardel, F.
Deposit date:1996-03-19
Release date:1997-04-21
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A new subclass of the zinc metalloproteases superfamily revealed by the solution structure of peptide deformylase.
J.Mol.Biol., 262, 1996
1HNG
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BU of 1hng by Molmil
CRYSTAL STRUCTURE AT 2.8 ANGSTROMS RESOLUTION OF A SOLUBLE FORM OF THE CELL ADHESION MOLECULE CD2
Descriptor: CD2
Authors:Jones, E.Y, Davis, S.J, Williams, A.F, Harlos, K, Stuart, D.I.
Deposit date:1994-08-10
Release date:1995-02-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure at 2.8 A resolution of a soluble form of the cell adhesion molecule CD2.
Nature, 360, 1992
8HMP
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BU of 8hmp by Molmil
GPR52 with Gs and c17
Descriptor: G-protein coupled receptor 52, 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, ...
Authors:Chen, B, Xu, F.
Deposit date:2022-12-05
Release date:2023-06-21
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Allosteric coupling between G-protein binding and extracellular ligand binding sites in GPR52 revealed by 19 F-NMR and cryo-electron microscopy.
MedComm (2020), 4, 2023

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