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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:2022-03-09
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:2022-03-09
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:2022-03-16
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
7JQG
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BU of 7jqg by Molmil
Crystal structure of human PPARgamma ligand binding domain Y473E mutant in complex with GW1929
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-08-10
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
8FHF
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BU of 8fhf by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with ZINC5672437
Descriptor: N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Kojetin, D.J.
Deposit date:2022-12-14
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of PPARgamma ligand-binding domain in complex with ZINC5672437
To Be Published
8FHE
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BU of 8fhe by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and GW9662
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, Nuclear receptor corepressor 1, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2022-12-14
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and GW9662
To Be Published
8FHG
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BU of 8fhg by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and ZINC5672437
Descriptor: N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide, Nuclear receptor corepressor 1, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2022-12-14
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and ZINC5672437
To Be Published
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:2023-10-04
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:2023-10-04
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6ONI
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BU of 6oni by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with N-CoR peptide and inverse agonist T0070907
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, NCOR isoform c, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-04-22
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A molecular switch regulating transcriptional repression and activation of PPAR gamma.
Nat Commun, 11, 2020
6PDZ
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BU of 6pdz by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with SMRT peptide and inverse agonist T0070907
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-06-19
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A molecular switch regulating transcriptional repression and activation of PPAR gamma.
Nat Commun, 11, 2020
6VZO
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BU of 6vzo by Molmil
Crystal structure of human PPARgamma ligand binding domain (Protein delipidated by denature and refold)
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
6VZM
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BU of 6vzm by Molmil
Crystal structure of human PPARgamma ligand binding domain Y473E mutant in complex with Darglitazone
Descriptor: (5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
6VZN
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BU of 6vzn by Molmil
Crystal structure of human PPARgamma ligand binding domain Y473E mutant
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
6VZL
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BU of 6vzl by Molmil
Crystal structure of human PPARgamma ligand binding domain in complex with GW1929
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
6WMS
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BU of 6wms by Molmil
Crystal Structure of Human REV-ERBbeta Ligand Binding Domain Co-Bound to Heme and NCoR ID2 Peptide
Descriptor: NCOR isoform c, Nuclear receptor Rev-ErbA beta variant 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Mosure, S.A, Shang, J, Kojetin, D.J.
Deposit date:2020-04-21
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for heme-dependent NCoR binding to the transcriptional repressor REV-ERB beta.
Sci Adv, 7, 2021
6WMQ
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BU of 6wmq by Molmil
Crystal Structure of Human REV-ERBbeta Ligand Binding Domain Co-Bound to Heme and NCoR ID1 Peptide
Descriptor: Nuclear receptor Rev-ErbA beta variant 1, Nuclear receptor corepressor 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Mosure, S.A, Shang, J, Kojetin, D.J.
Deposit date:2020-04-21
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis for heme-dependent NCoR binding to the transcriptional repressor REV-ERB beta.
Sci Adv, 7, 2021
2L7F
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BU of 2l7f by Molmil
Solution Structure of the Pitx2 Homeodomain
Descriptor: Pituitary homeobox 2
Authors:Doerdelmann, T, Rance, M, Baird-Titus, J.M, Kojetin, D.J.
Deposit date:2010-12-08
Release date:2011-12-14
Method:SOLUTION NMR
Cite:Solution Structure of the Pitx2 Homeodomain
To be Published
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:2012-01-11
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:2012-04-04
Method:SOLUTION NMR
Cite:Insights into the nature of DNA binding of AbrB-like transcription factors
Structure, 16, 2008
6C1I
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BU of 6c1i by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Fuhrmann, J, Brust, R, Kojetin, D.J.
Deposit date:2018-01-04
Release date:2018-12-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:A structural mechanism for directing corepressor-selective inverse agonism of PPAR gamma.
Nat Commun, 9, 2018
6DH9
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BU of 6dh9 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with MSDC-0602
Descriptor: (5S)-5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-05-18
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with MSDC-0602
To Be Published
6DGO
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BU of 6dgo by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Troglitazone
Descriptor: (5S)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-05-17
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6DHA
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BU of 6dha by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Hydroxy Pioglitazone (M-IV)
Descriptor: Hydroxy Pioglitazone (M-IV), Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Mosure, S.A, Kojetin, D.J.
Deposit date:2018-05-18
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural Basis of Altered Potency and Efficacy Displayed by a Major in Vivo Metabolite of the Antidiabetic PPAR gamma Drug Pioglitazone.
J. Med. Chem., 62, 2019

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