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PDB: 115 results
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
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
9O9N
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BU of 9o9n by Molmil
Crystal structure of PPARgamma ligand binding domain (LBD) in complex with NCoR1 corepressor peptide and inverse agonist FX-909
Descriptor: (3P)-3-(5,7-difluoro-4-oxo-1,4-dihydroquinolin-2-yl)-4-(methanesulfonyl)benzonitrile, Nuclear receptor corepressor 1, Peroxisome proliferator-activated receptor gamma
Authors:Laughlin, Z.T, Dong, J, Harp, J.M, Kojetin, D.J.
Deposit date:2025-04-18
Release date:2025-05-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of PPARgamma-mediated transcriptional repression by the covalent inverse agonist FX-909
To Be Published
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:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A molecular switch regulating transcriptional repression and activation of PPAR gamma.
Nat Commun, 11, 2020
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
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
Last modified:2025-04-23
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 13, 2024
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:2025-04-23
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 13, 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
Last modified:2025-04-23
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 13, 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:2025-04-23
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 13, 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:2025-04-23
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 13, 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:2025-04-23
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 13, 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
Last modified:2025-04-23
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 13, 2024
6MD4
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BU of 6md4 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Rosiglitazone and Oleic acid
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), OLEIC ACID, ...
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6MCZ
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BU of 6mcz by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Arachidonic Acid
Descriptor: ARACHIDONIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6MD1
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BU of 6md1 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Oleic acid
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, OLEIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
8FKF
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BU of 8fkf by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR36706
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide, GLYCEROL, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
8FKD
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BU of 8fkd by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33068
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
8FKG
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BU of 8fkg by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33486
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide, GLYCEROL, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
8FKC
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BU of 8fkc by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33544
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
8FKE
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BU of 8fke by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR32904
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
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
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
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
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025

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