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1YOK
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BU of 1yok by Molmil
crystal structure of human LRH-1 bound with TIF-2 peptide and phosphatidylglycerol
Descriptor: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Nuclear receptor coactivator 2, Orphan nuclear receptor NR5A2
Authors:Krylova, I.N, Sablin, E.P, Moore, J, Xu, R.X, Waitt, G.M, MacKay, J.A, Juzumiene, D, Bynum, J.M, Madauss, K, Montana, V, Lebedeva, L, Suzawa, M, Williams, J.D, Williams, S.P, Guy, R.K, Thornton, J.W, Fletterick, R.J, Willson, T.M, Ingraham, H.A.
Deposit date:2005-01-27
Release date:2005-07-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1.
Cell(Cambridge,Mass.), 120, 2005
1YOW
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BU of 1yow by Molmil
human Steroidogenic Factor 1 LBD with bound Co-factor Peptide
Descriptor: PHOSPHATIDYL ETHANOL, Steroidogenic factor 1, TIF2 peptide
Authors:Krylova, I.N, Sablin, E.P, Xu, R.X, Waitt, G.M, Juzumiene, D, Williams, J.D, Ingraham, H.A, Willson, T.M, Williams, S.P, Montana, V, Madauss, K.P, Moore, J, Bynum, J.M, Lebedeva, L, MacKay, J.A, Suzawa, M, Guy, R.K, Thornton, J.W.
Deposit date:2005-01-28
Release date:2005-05-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1
Cell(Cambridge,Mass.), 120, 2005
1XVP
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BU of 1xvp by Molmil
crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid and CITCO
Descriptor: 6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ...
Authors:Xu, R.X, Lambert, M.H, Wisely, B.B, Warren, E.N, Weinert, E.E, Waitt, G.M, Williams, J.D, Moore, L.B, Willson, T.M, Moore, J.T.
Deposit date:2004-10-28
Release date:2004-12-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer.
Mol.Cell, 16, 2004
1XV9
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BU of 1xv9 by Molmil
crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid, and 5b-pregnane-3,20-dione.
Descriptor: (5BETA)-PREGNANE-3,20-DIONE, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ...
Authors:Xu, R.X, Lambert, M.H, Wisely, B.B, Warren, E.N, Weinert, E.E, Waitt, G.M, Williams, J.D, Moore, L.B, Willson, T.M, Moore, J.T.
Deposit date:2004-10-27
Release date:2004-12-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer.
Mol.Cell, 16, 2004
1YMT
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BU of 1ymt by Molmil
Mouse SF-1 LBD
Descriptor: 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL, Nuclear receptor 0B2, Steroidogenic factor 1
Authors:Krylova, I.N, Sablin, E.P, Moore, J, Xu, R.X, Waitt, G.M, Juzumiene, D, Bynum, J.M, Fletterick, R.J, Willson, T.M, Ingraham, H.A.
Deposit date:2005-01-21
Release date:2005-03-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1
Cell(Cambridge,Mass.), 120, 2005
7UMW
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BU of 7umw by Molmil
Crystal structure of E. Coli FabI in complex with NAD and Fabimycin ((S,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide)
Descriptor: (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hajian, B.
Deposit date:2022-04-08
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
3ZNS
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BU of 3zns by Molmil
HDAC7 bound with TFMO inhibitor tmp942
Descriptor: HISTONE DEACETYLASE 7, N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ...
Authors:Lobera, M, Madauss, K.P, Pohlhaus, D.T, Trump, R.P, Nolan, M.A.
Deposit date:2013-02-15
Release date:2013-03-27
Last modified:2013-05-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
3ZNR
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BU of 3znr by Molmil
HDAC7 bound with inhibitor TMP269
Descriptor: HISTONE DEACETYLASE 7, N-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ...
Authors:Lobera, m, madauss, k, pohlhaus, d, trump, r, nolan, m.
Deposit date:2013-02-15
Release date:2013-03-27
Last modified:2013-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
3F7D
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BU of 3f7d by Molmil
SF-1 LBD bound by phosphatidylcholine
Descriptor: (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, nuclear receptor SF-1
Authors:Sablin, E.P, Fletterick, R.J.
Deposit date:2008-11-07
Release date:2008-12-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of SF-1 bound by different phospholipids: evidence for regulatory ligands.
Mol.Endocrinol., 23, 2009
2R4B
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BU of 2r4b by Molmil
ErbB4 kinase domain complexed with a thienopyrimidine inhibitor
Descriptor: N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine, Receptor tyrosine-protein kinase erbB-4
Authors:Shewchuk, L.M, Uehling, D.E.
Deposit date:2007-08-31
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:6-Ethynylthieno[3,2-d]- and 6-ethynylthieno[2,3-d]pyrimidin-4-anilines as tunable covalent modifiers of ErbB kinases.
Proc.Natl.Acad.Sci.Usa, 105, 2008
7UM8
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BU of 7um8 by Molmil
Crystal structure of E. Coli FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide
Descriptor: (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hajian, B.
Deposit date:2022-04-06
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
7UMY
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BU of 7umy by Molmil
Crystal structure of Acinetobacter baumannii FabI in complex with NAD and Fabimycin ((S,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide)
Descriptor: (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hajian, B.
Deposit date:2022-04-08
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
7UMX
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BU of 7umx by Molmil
Crystal structure of Acinetobacter baumannii FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide
Descriptor: (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hajian, B.
Deposit date:2022-04-08
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
4P90
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BU of 4p90 by Molmil
Crystal structure of the kinase domain of human PAK1 in complex with compound 15
Descriptor: Serine/threonine-protein kinase PAK 1, [2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl}methanone
Authors:Ferguson, A.D.
Deposit date:2014-04-01
Release date:2014-09-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Identification and optimisation of 7-azaindole PAK1 inhibitors with improved potency and kinase selectivity.
MEDCHEMCOMM, 2014

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