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1YOW
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BU of 1yow by Molmil
human Steroidogenic Factor 1 LBD with bound Co-factor Peptide
分子名称: PHOSPHATIDYL ETHANOL, Steroidogenic factor 1, TIF2 peptide
著者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.
登録日2005-01-28
公開日2005-05-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1
Cell(Cambridge,Mass.), 120, 2005
1YOK
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BU of 1yok by Molmil
crystal structure of human LRH-1 bound with TIF-2 peptide and phosphatidylglycerol
分子名称: (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
著者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.
登録日2005-01-27
公開日2005-07-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: 6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ...
著者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.
登録日2004-10-28
公開日2004-12-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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.
分子名称: (5BETA)-PREGNANE-3,20-DIONE, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ...
著者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.
登録日2004-10-27
公開日2004-12-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
分子名称: 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL, Nuclear receptor 0B2, Steroidogenic factor 1
著者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.
登録日2005-01-21
公開日2005-03-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1
Cell(Cambridge,Mass.), 120, 2005
3ZNS
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BU of 3zns by Molmil
HDAC7 bound with TFMO inhibitor tmp942
分子名称: 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, ...
著者Lobera, M, Madauss, K.P, Pohlhaus, D.T, Trump, R.P, Nolan, M.A.
登録日2013-02-15
公開日2013-03-27
最終更新日2013-05-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献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
分子名称: 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, ...
著者Lobera, m, madauss, k, pohlhaus, d, trump, r, nolan, m.
登録日2013-02-15
公開日2013-03-27
最終更新日2013-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
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)
分子名称: (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
著者Hajian, B.
登録日2022-04-08
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献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
3F7D
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BU of 3f7d by Molmil
SF-1 LBD bound by phosphatidylcholine
分子名称: (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
著者Sablin, E.P, Fletterick, R.J.
登録日2008-11-07
公開日2008-12-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine, Receptor tyrosine-protein kinase erbB-4
著者Shewchuk, L.M, Uehling, D.E.
登録日2007-08-31
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
4P90
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BU of 4p90 by Molmil
Crystal structure of the kinase domain of human PAK1 in complex with compound 15
分子名称: 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
著者Ferguson, A.D.
登録日2014-04-01
公開日2014-09-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Identification and optimisation of 7-azaindole PAK1 inhibitors with improved potency and kinase selectivity.
MEDCHEMCOMM, 2014
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
分子名称: (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
著者Hajian, B.
登録日2022-04-06
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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)
分子名称: (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
著者Hajian, B.
登録日2022-04-08
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献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
分子名称: (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
著者Hajian, B.
登録日2022-04-08
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献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

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件を2024-04-24に公開中

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