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6CFN
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BU of 6cfn by Molmil
Crystal Structure of the DNA-free Glucocorticoid Receptor DNA Binding Domain
Descriptor: Glucocorticoid receptor, ZINC ION
Authors:Frank, F, Okafor, C.D, Ortlund, E.A.
Deposit date:2018-02-15
Release date:2018-09-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The first crystal structure of a DNA-free nuclear receptor DNA binding domain sheds light on DNA-driven allostery in the glucocorticoid receptor.
Sci Rep, 8, 2018
5W75
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BU of 5w75 by Molmil
Crystal Structure of Reconstructed Bacterial Elongation Factor Node 168
Descriptor: Elongation factor Tu, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ortlund, E.A.
Deposit date:2017-06-19
Release date:2018-04-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Structural and Dynamics Comparison of Thermostability in Ancient, Modern, and Consensus Elongation Factor Tus.
Structure, 26, 2018
5W7Q
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BU of 5w7q by Molmil
Crystal Structure of Reconstructed Bacterial Elongation Factor Node 168
Descriptor: Consensus Elongation Factor, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Ortlund, E.A.
Deposit date:2017-06-20
Release date:2018-04-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Dynamics Comparison of Thermostability in Ancient, Modern, and Consensus Elongation Factor Tus.
Structure, 26, 2018
5W76
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BU of 5w76 by Molmil
Crystal Structure of Reconstructed Bacterial Elongation Factor Node 168
Descriptor: Ancestral Elogation Factor N153, DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Ortlund, E.A.
Deposit date:2017-06-19
Release date:2018-04-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:Structural and Dynamics Comparison of Thermostability in Ancient, Modern, and Consensus Elongation Factor Tus.
Structure, 26, 2018
6OQY
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BU of 6oqy by Molmil
Human LRH-1 bound to the agonist 6N and a fragment of the Tif2 coregulator
Descriptor: N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Mays, S.G, Ortlund, E.A.
Deposit date:2019-04-29
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
5L11
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BU of 5l11 by Molmil
Human Liver Receptor Homologue-1 (LRH-1) Bound to RJW100 and a Fragment of TIF-2
Descriptor: (1R,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol, Nuclear receptor subfamily 5 group A member 2, Tif2
Authors:Mays, S.G, Ortlund, E.A.
Deposit date:2016-07-28
Release date:2016-10-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Crystal Structures of the Nuclear Receptor, Liver Receptor Homolog 1, Bound to Synthetic Agonists.
J. Biol. Chem., 291, 2016
7RON
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BU of 7ron by Molmil
Crystal structure of the Friedel-Crafts alkylating enzyme CylK from Cylindospermum licheniforme
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Ruskoski, T.B, Boal, A.K.
Deposit date:2021-07-31
Release date:2022-03-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural basis for an unprecedented enzymatic alkylation in cylindrocyclophane biosynthesis.
Elife, 11, 2022
7ROO
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BU of 7roo by Molmil
Crystal structure of Friedel-Crafts alkylating enzyme CylK from Cylindospermum licheniforme with bromide
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ...
Authors:Ruskoski, T.B, Boal, A.K.
Deposit date:2021-07-31
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural basis for an unprecedented enzymatic alkylation in cylindrocyclophane biosynthesis.
Elife, 11, 2022
6OQX
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BU of 6oqx by Molmil
Human Liver Receptor Homolog-1 bound to the agonist 5N and a fragment of the Tif2 coregulator
Descriptor: (8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Mays, S.G, Ortlund, E.A.
Deposit date:2019-04-29
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
6OR1
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BU of 6or1 by Molmil
Human LRH-1 bound to the agonist 2N and a fragment of the Tif2 coregulator
Descriptor: N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Mays, S.G, Ortlund, E.A.
Deposit date:2019-04-29
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.174 Å)
Cite:Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
7JYD
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BU of 7jyd by Molmil
Human Liver Receptor Homolog-1 in Complex with 10CA and a Fragment of Tif2
Descriptor: 10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:D'Agostino, E.H, Mays, S.G, Ortlund, E.A.
Deposit date:2020-08-30
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
7JYE
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BU of 7jye by Molmil
Human Liver Receptor Homolog-1 in Complex with 9ChoP and a Fragment of Tif2
Descriptor: 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:D'Agostino, E.H, Mays, S.G, Ortlund, E.A.
Deposit date:2020-08-30
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
7TT8
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BU of 7tt8 by Molmil
Human LRH-1 LBD bound to agonist 6N-10CA and fragment of Tif2 coactivator
Descriptor: 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Cato, M.L, Ortlund, E.A.
Deposit date:2022-01-31
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Differential Modulation of Nuclear Receptor LRH-1 through Targeting Buried and Surface Regions of the Binding Pocket.
J.Med.Chem., 65, 2022
5SYZ
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BU of 5syz by Molmil
Human Liver Receptor Homologue-1 (LRH-1) Bound to a RJW100 stereoisomer and a Fragment of TIF-2
Descriptor: (1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Ortlund, E.A, Mays, S.G.
Deposit date:2016-08-12
Release date:2016-10-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9261 Å)
Cite:Crystal Structures of the Nuclear Receptor, Liver Receptor Homolog 1, Bound to Synthetic Agonists.
J. Biol. Chem., 291, 2016
5UNJ
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BU of 5unj by Molmil
Structure of Human Liver Receptor Homolog 1 in complex with PGC1a and RJW100
Descriptor: (1R,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol, Nuclear receptor subfamily 5 group A member 2, Peroxisome proliferator-activated gamma coactivator 1-alpha
Authors:Mays, S.G, Ortlund, E.A.
Deposit date:2017-01-31
Release date:2017-04-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.959 Å)
Cite:Structure and Dynamics of the Liver Receptor Homolog 1-PGC1 alpha Complex.
Mol. Pharmacol., 92, 2017
5UFS
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BU of 5ufs by Molmil
X-Ray Crystal Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with triamcinolone acetonide and SHP coregulator fragment
Descriptor: Ancestral Glucocorticoid Receptor2, SHP NR Box 1 Peptide, Triamcinolone acetonide
Authors:Weikum, E.R, Ortlund, E.A.
Deposit date:2017-01-05
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.118 Å)
Cite:Structural Analysis of the Glucocorticoid Receptor Ligand-Binding Domain in Complex with Triamcinolone Acetonide and a Fragment of the Atypical Coregulator, Small Heterodimer Partner.
Mol. Pharmacol., 92, 2017
6VVQ
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BU of 6vvq by Molmil
Human START domain of Acyl-coenzyme A thioesterase 11 (ACOT11) bound to Myristic Acid
Descriptor: Acyl-coenzyme A thioesterase 11, MYRISTIC ACID
Authors:Tillman, M.C, Ortlund, E.A.
Deposit date:2020-02-18
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Allosteric regulation of thioesterase superfamily member 1 by lipid sensor domain binding fatty acids and lysophosphatidylcholine.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VZY
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BU of 6vzy by Molmil
Crystal structure of SznF from Streptomyces achromogenes var. streptozoticus NRRL 2697 with a diiron(II) central domain cofactor
Descriptor: Cupin domain-containing diiron protein, FE (II) ION
Authors:McBride, M.J, Boal, A.K.
Deposit date:2020-02-28
Release date:2021-01-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structure and assembly of the diiron cofactor in the heme-oxygenase-like domain of the N -nitrosourea-producing enzyme SznF.
Proc.Natl.Acad.Sci.USA, 118, 2021
6XCV
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BU of 6xcv by Molmil
Crystal structure of apo SznF from Streptomyces achromogenes var. streptozoticus NRRL 2697
Descriptor: Cupin domain-containing diiron protein
Authors:McBride, M.J, Boal, A.K.
Deposit date:2020-06-09
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure and assembly of the diiron cofactor in the heme-oxygenase-like domain of the N -nitrosourea-producing enzyme SznF.
Proc.Natl.Acad.Sci.USA, 118, 2021

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數據於2024-07-17公開中

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