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1YUC
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BU of 1yuc by Molmil
Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to Phospholipid and a Fragment of Human SHP
Descriptor: GLYCEROL, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor 0B2, ...
Authors:Ortlund, E.A, Yoonkwang, L, Solomon, I.H, Hager, J.M, Safi, R, Choi, Y, Guan, Z, Tripathy, A, Raetz, C.R.H, McDonnell, D.P, Moore, D.D, Redinbo, M.R.
Deposit date:2005-02-13
Release date:2005-03-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Modulation of human nuclear receptor LRH-1 activity by phospholipids and SHP
Nat.Struct.Mol.Biol., 12, 2005
1YII
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BU of 1yii by Molmil
Crystal Structures of Chicken Annexin V in Complex with Ca2+
Descriptor: Annexin A5, CALCIUM ION, SULFATE ION
Authors:Ortlund, E.A, Chai, G, Genge, B, Wu, L.N.Y, Wuthier, R.E, Lebioda, L.
Deposit date:2005-01-11
Release date:2005-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal Structures of Chicken Annexin A5 in Complex with Functional Modifiers Ca2+ and Zn2+ Reveal Zn2+ Induced Formation of Non-Planar Assemblies
Annexins, 1, 2005
1YJ0
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BU of 1yj0 by Molmil
Crystal Structures of Chicken Annexin V in Complex with Zn2+
Descriptor: Annexin A5, SULFATE ION, ZINC ION
Authors:Ortlund, E.A, Chai, G, Genge, B, Wu, L.N.Y, Wuthier, R.E, Lebioda, L.
Deposit date:2005-01-11
Release date:2005-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal Structures of Chicken Annexin A5 in Complex with Functional Modifiers Ca2+ and Zn2+ Reveal Zn2+ Induced Formation of Non-Planar Assemblies
Annexins, 1, 2005
7RAE
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BU of 7rae by Molmil
AncAR1 - progesterone - Tif2
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Ancestral androgen receptor, GLYCEROL, ...
Authors:Ortlund, E.A.
Deposit date:2021-07-01
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:AncAR1 - DHT - Tif2
To Be Published
2Q1H
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BU of 2q1h by Molmil
Ancestral Corticoid Receptor in Complex with Aldosterone
Descriptor: ALDOSTERONE, AncCR, GLYCEROL, ...
Authors:Ortlund, E.A, Bridgham, J.T, Redinbo, M.R, Thornton, J.W.
Deposit date:2007-05-24
Release date:2007-09-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of an ancient protein: evolution by conformational epistasis.
Science, 317, 2007
2Q1V
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BU of 2q1v by Molmil
Ancestral corticoid receptor in complex with cortisol
Descriptor: 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, AncCR, GLYCEROL
Authors:Ortlund, E.A, Redinbo, M.R.
Deposit date:2007-05-25
Release date:2007-09-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of an ancient protein: evolution by conformational epistasis.
Science, 317, 2007
2Q3Y
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BU of 2q3y by Molmil
Ancestral Corticiod Receptor in Complex with DOC
Descriptor: Ancestral Corticiod Receptor, DESOXYCORTICOSTERONE, GLYCEROL, ...
Authors:Ortlund, E.A, Bridgham, J.T, Redinbo, M.R, Thornton, J.W.
Deposit date:2007-05-30
Release date:2007-09-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of an ancient protein: evolution by conformational epistasis
Science, 317, 2007
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
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
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
3GN8
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BU of 3gn8 by Molmil
X-ray Crystal Structure of AncGR2 in Complex with Dexamethasone
Descriptor: DEXAMETHASONE, Glucocorticoid receptor 2, Nuclear receptor coactivator 2
Authors:Ortlund, E.A.
Deposit date:2009-03-16
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An epistatic ratchet constrains the direction of glucocorticoid receptor evolution
Nature, 461, 2009
3Q8G
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BU of 3q8g by Molmil
Resurrection of a functional phosphatidylinositol transfer protein from a pseudo-Sec14 scaffold by directed evolution
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CRAL-TRIO domain-containing protein YKL091C, GLYCEROL
Authors:Ortlund, E.A, Schaaf, G, Bankaitis, V.A.
Deposit date:2011-01-06
Release date:2011-02-23
Last modified:2023-05-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Resurrection of a functional phosphatidylinositol transfer protein from a pseudo-Sec14 scaffold by directed evolution.
Mol.Biol.Cell, 22, 2011
3RY9
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BU of 3ry9 by Molmil
Crystal Structure of the Resurrected Ancestral Glucocorticoid Receptor 1 in complex with DOC
Descriptor: Ancestral Glucocorticoid Receptor 1, DESOXYCORTICOSTERONE, GLYCEROL, ...
Authors:Ortlund, E.A.
Deposit date:2011-05-11
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanisms for the evolution of a derived function in the ancestral glucocorticoid receptor.
PLoS Genet, 7, 2011
3B7Q
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BU of 3b7q by Molmil
Crystal Structure of Yeast Sec14 Homolog Sfh1 in Complex with Phosphatidylcholine
Descriptor: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, GLYCEROL, PHOSPHATE ION, ...
Authors:Ortlund, E.A, Schaaf, G, Redinbo, M.R, Bankaitis, V.
Deposit date:2007-10-31
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Functional anatomy of phospholipid binding and regulation of phosphoinositide homeostasis by proteins of the sec14 superfamily
Mol.Cell, 29, 2008
3B74
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BU of 3b74 by Molmil
Crystal Structure of Yeast Sec14 Homolog Sfh1 in Complex with Phosphatidylethanolamine
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Uncharacterized protein YKL091C
Authors:Ortlund, E.A, Schaaf, G, Redinbo, M.R, Bankaitis, V.
Deposit date:2007-10-30
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Functional anatomy of phospholipid binding and regulation of phosphoinositide homeostasis by proteins of the sec14 superfamily
Mol.Cell, 29, 2008
3B7N
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BU of 3b7n by Molmil
Crystal Structure of Yeast Sec14 Homolog Sfh1 in Complex with Phosphatidylinositol
Descriptor: (1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ACETATE ION, PHOSPHATE ION, ...
Authors:Ortlund, E.A, Schaaf, G, Redinbo, M.R, Bankaitis, V.
Deposit date:2007-10-31
Release date:2008-02-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Functional anatomy of phospholipid binding and regulation of phosphoinositide homeostasis by proteins of the sec14 superfamily
Mol.Cell, 29, 2008
3B7Z
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BU of 3b7z by Molmil
Crystal Structure of Yeast Sec14 Homolog Sfh1 in Complex with Phosphatidylcholine or Phosphatidylinositol
Descriptor: (1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, Uncharacterized protein YKL091C
Authors:Ortlund, E.A, Schaaf, G, Redinbo, M.R, Bankaitis, V.
Deposit date:2007-10-31
Release date:2008-02-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Functional anatomy of phospholipid binding and regulation of phosphoinositide homeostasis by proteins of the sec14 superfamily
Mol.Cell, 29, 2008
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
4FNE
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BU of 4fne by Molmil
X-ray Crystal structure of the Ancestral 3-keto steroid receptor - DOC complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DESOXYCORTICOSTERONE, ...
Authors:Ortlund, E.A, Colucci, J.K, Thornton, J, Eick, G, Harms, M.
Deposit date:2012-06-19
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Evolution of minimal specificity and promiscuity in steroid hormone receptors.
PLoS Genet, 8, 2012
4LTW
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BU of 4ltw by Molmil
Ancestral Ketosteroid Receptor-Progesterone-Mifepristone Complex
Descriptor: 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, Ancestral Steroid Receptor 2, GLYCEROL, ...
Authors:Ortlund, E.A, Colucci, J.K.
Deposit date:2013-07-24
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.045 Å)
Cite:X-ray crystal structure of the ancestral 3-ketosteroid receptor-progesterone-mifepristone complex shows mifepristone bound at the coactivator binding interface.
Plos One, 8, 2013
4OV7
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BU of 4ov7 by Molmil
Ancestral Steroid Receptor 2 DBD helix mutant - SRE DNA complex
Descriptor: 5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*GP*AP*GP*TP*GP*TP*TP*CP*TP*G)-3', 5'-D(*TP*CP*AP*GP*AP*AP*CP*AP*CP*TP*CP*TP*GP*TP*TP*CP*TP*G)-3', Ancestral Steroid Receptor 2 DBD helix mutant, ...
Authors:Ortlund, E.A.
Deposit date:2014-02-20
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Evolution of DNA specificity in a transcription factor family produced a new gene regulatory module.
Cell(Cambridge,Mass.), 159, 2014
4PLE
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BU of 4ple by Molmil
Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to an E. Coli Phospholipid and a Fragment of TIF-2
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ...
Authors:Ortlund, E.A, Musille, P.M.
Deposit date:2014-05-16
Release date:2015-12-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Unexpected Allosteric Network Contributes to LRH-1 Co-regulator Selectivity.
J.Biol.Chem., 291, 2016
4TNT
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BU of 4tnt by Molmil
Structure of the human mineralocorticoid receptor in complex with DNA
Descriptor: DNA (5'-D(*CP*AP*GP*AP*AP*CP*AP*CP*TP*CP*TP*GP*TP*TP*CP*TP*G)-3'), DNA (5'-D(*CP*AP*GP*AP*AP*CP*AP*GP*AP*GP*TP*GP*TP*TP*CP*TP*G)-3'), Mineralocorticoid receptor, ...
Authors:Hudson, W.H, Ortlund, E.A.
Deposit date:2014-06-04
Release date:2014-09-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3938 Å)
Cite:Crystal structure of the mineralocorticoid receptor DNA binding domain in complex with DNA.
Plos One, 9, 2014
8DAF
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BU of 8daf by Molmil
Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid
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), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ...
Authors:D'Agostino, E.H, Cato, M.L, Ortlund, E.A.
Deposit date:2022-06-13
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators.
J.Biol.Chem., 299, 2023
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

 

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