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2F33
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BU of 2f33 by Molmil
NMR solution structure of Ca2+-loaded calbindin D28K
Descriptor: Calbindin
Authors:Kojetin, D.J, Venters, R.A, Kordys, D.R, Thompson, R.J, Kumar, R, Cavanagh, J.
Deposit date:2005-11-18
Release date:2006-07-04
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure, binding interface and hydrophobic transitions of Ca(2+)-loaded calbindin-D(28K).
Nat.Struct.Mol.Biol., 13, 2006
2G9B
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BU of 2g9b by Molmil
NMR solution structure of CA2+-loaded calbindin D28K
Descriptor: Calbindin
Authors:Kojetin, D.J, Venters, R.A, Kordys, D.R, Thompson, R.J, Kumar, R, Cavanagh, J.
Deposit date:2006-03-06
Release date:2006-07-04
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure, binding interface and hydrophobic transitions of Ca(2+)-loaded calbindin-D(28K).
Nat.Struct.Mol.Biol., 13, 2006
2K77
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BU of 2k77 by Molmil
NMR solution structure of the Bacillus subtilis ClpC N-domain
Descriptor: Negative regulator of genetic competence clpC/mecB
Authors:Kojetin, D.J, McLaughlin, P.D, Thompson, R.J, Rance, M, Cavanagh, J.
Deposit date:2008-08-04
Release date:2009-04-28
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structural and motional contributions of the Bacillus subtilis ClpC N-domain to adaptor protein interactions.
J.Mol.Biol., 387, 2009
4ZO1
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BU of 4zo1 by Molmil
Crystal Structure of the T3-bound TR-beta Ligand-binding Domain in complex with RXR-alpha
Descriptor: 3,5,3'TRIIODOTHYRONINE, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha, ...
Authors:Bruning, J.B, Kojetin, D.J, Matta-Camacho, E, Hughes, T.S, Srinivasan, S, Nwachukwu, J.C, Cavett, V, Nowak, J, Chalmers, M.J, Marciano, D.P, Kamenecka, T.M, Rance, M, Shulman, A.I, Mangelsdorf, D.J, Griffin, P.R, Nettles, K.W.
Deposit date:2015-05-05
Release date:2015-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.221 Å)
Cite:Structural mechanism for signal transduction in RXR nuclear receptor heterodimers.
Nat Commun, 6, 2015
6O67
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BU of 6o67 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Mitoglitazone
Descriptor: Mitoglitazone, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-03-05
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6O68
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BU of 6o68 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Ciglitazone
Descriptor: Ciglitazone, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-03-05
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
4IWC
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BU of 4iwc by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with a Dynamic Thiophene-derivative
Descriptor: 4,4'-thiene-2,5-diylbis(3-methylphenol), Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-23
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
6AVI
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BU of 6avi by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Nonanoic acid
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Kojetin, D.J.
Deposit date:2017-09-02
Release date:2018-09-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6AUG
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BU of 6aug by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with SR16832
Descriptor: 2-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Kojetin, D.J.
Deposit date:2017-08-31
Release date:2018-09-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
2RO4
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BU of 2ro4 by Molmil
RDC-refined Solution Structure of the N-terminal DNA Recognition Domain of the Bacillus subtilis Transition-state Regulator AbrB
Descriptor: Transition state regulatory protein abrB
Authors:Sullivan, D.M, Bobay, B.G, Kojetin, D.J, Thompson, R.J, Rance, M, Strauch, M.A, Cavanagh, J.
Deposit date:2008-03-08
Release date:2008-11-11
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Insights into the nature of DNA binding of AbrB-like transcription factors
Structure, 16, 2008
2RO5
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BU of 2ro5 by Molmil
RDC-refined solution structure of the N-terminal DNA recognition domain of the Bacillus subtilis transition-state regulator SpoVT
Descriptor: Stage V sporulation protein T
Authors:Sullivan, D.M, Bobay, B.G, Kojetin, D.J, Thompson, R.J, Rance, M, Strauch, M.A, Cavanagh, J.
Deposit date:2008-03-08
Release date:2008-11-11
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Insights into the nature of DNA binding of AbrB-like transcription factors
Structure, 16, 2008
5UGM
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BU of 5ugm by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Edaglitazone
Descriptor: (5R)-5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Kojetin, D.J.
Deposit date:2017-01-09
Release date:2018-01-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
8ZFQ
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BU of 8zfq by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and BVT.13
Descriptor: 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
8ZFN
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BU of 8zfn by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and BVT.13
Descriptor: 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
8ZFS
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BU of 8zfs by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and MRL24
Descriptor: (2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
8ZFO
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BU of 8zfo by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and nTZDpa
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
8ZFR
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BU of 8zfr by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and nTZDpa
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
8ZFP
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BU of 8zfp by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and MRL24
Descriptor: (2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
8ZFT
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BU of 8zft by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and SR1664
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, 4'-[(2,3-dimethyl-5-{[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
4IW6
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BU of 4iw6 by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 7b
Descriptor: 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-23
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IU7
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BU of 4iu7 by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 2b
Descriptor: 4-[2-ethyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-20
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IV4
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BU of 4iv4 by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 5b
Descriptor: 4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-22
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IVW
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BU of 4ivw by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 6b
Descriptor: 4-[2-benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-23
Release date:2013-03-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IWF
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BU of 4iwf by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with a Dynamic Oxime-derivative
Descriptor: 2-chloro-3'-fluoro-3-[(E)-(hydroxyimino)methyl]biphenyl-4,4'-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-23
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.932 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IV2
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BU of 4iv2 by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 5a
Descriptor: 4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-22
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013

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