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1U76
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BU of 1u76 by Molmil
Crystal structure of hPCNA bound to residues 452-466 of the DNA polymerase-delta-p66 subunit
Descriptor: KANRQVSITGFFQRK peptide from DNA polymerase delta subunit 3, Proliferating cell nuclear antigen
Authors:Bruning, J.B, Shamoo, Y.
Deposit date:2004-08-02
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Thermodynamic Analysis of Human PCNA with Peptides Derived from DNA Polymerase-delta p66 Subunit and Flap Endonuclease-1.
Structure, 12, 2004
1U7B
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BU of 1u7b by Molmil
Crystal structure of hPCNA bound to residues 331-350 of the flap endonuclease-1 (FEN1)
Descriptor: Proliferating cell nuclear antigen, SRQGSTQGRLDDFFKVTGSL peptide of Flap endonuclease-1
Authors:Bruning, J.B, Shamoo, Y.
Deposit date:2004-08-03
Release date:2004-12-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural and Thermodynamic Analysis of Human PCNA with Peptides Derived from DNA Polymerase-delta p66 Subunit and Flap Endonuclease-1.
Structure, 12, 2004
4FN7
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BU of 4fn7 by Molmil
Apo Structure of the Mtb enoyol CoA isomerase (Rv0632c)
Descriptor: CHLORIDE ION, Enoyl-CoA hydratase/isomerase family protein
Authors:Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-06-19
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:"Crystal Structure and Mechanism of the Prokaryotic Enoyl-CoA Isomerase (ECI)"
To be Published
4FN8
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Crystal structure of the Mtb enoyl CoA isomerase (Rv0632c)in complex with acetoacetyl CoA
Descriptor: ACETOACETYL-COENZYME A, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION
Authors:Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-06-19
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.831 Å)
Cite:Crystal structure and mechanism of the prokaryotic enoyl CoA isomerase (ECI)
To be Published
4FNB
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BU of 4fnb by Molmil
Crystal structure of the Mtb enoyl CoA isomerase (Rv0632c) in complex with hydroxybutyrl CoA
Descriptor: 3-HYDROXYBUTANOYL-COENZYME A, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION
Authors:Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-06-19
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure and Mechanism of the Prokaryotic Enoyl CoA Isomerase
To be Published
4FJW
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Crystal Structure of the apo form of the E131Q Mtb crotonase
Descriptor: Probable enoyl-CoA hydratase echA8
Authors:Bruning, J.B, Delgado, E, Ghosh, S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-06-12
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure and Mechanism of the Prokaryotic Crotonase
To be Published
4FND
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BU of 4fnd by Molmil
Crystal structure of the Mtb enoyl CoA isomerase in complex with hydroxyhexanoyl CoA
Descriptor: (S)-3-Hydroxyhexanoyl-CoA, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION
Authors:Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-06-19
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure and mechanism of the prokaryotic enoyl CoA isomerase
To be Published
3LWB
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BU of 3lwb by Molmil
Crystal Structure of apo D-alanine:D-alanine Ligase (Ddl) from Mycobacterium tuberculosis
Descriptor: D-alanine--D-alanine ligase, NITRATE ION
Authors:Bruning, J.B, Murillo, A.C, Chacon, O, Barletta, R.G, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-02-23
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the Mycobacterium tuberculosis D-Alanine:D-Alanine Ligase, a Target of the Antituberculosis Drug D-Cycloserine.
Antimicrob.Agents Chemother., 55, 2011
3Q0J
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BU of 3q0j by Molmil
Crystal Structure of the Mycobacterium tuberculosis Crotonase in complex with the Inhibitor AcetoacetylCoA
Descriptor: ACETOACETYL-COENZYME A, enoyl-CoA hydratase echA8
Authors:Bruning, J.B, Delgado, E, Ghosh, S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-12-15
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure and Mechanism of the Prokaryotic Crotonase
To be Published
3PZK
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BU of 3pzk by Molmil
Crystal Structure of the Mycobacterium tuberculosis crotonase in apo form
Descriptor: SULFATE ION, e enoyl-CoA hydratase echA8
Authors:Bruning, J.B, Delgado, E, Ghosh, S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-12-14
Release date:2011-03-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2303 Å)
Cite:Crystal Structure of the Prokaryotic Crotonase
To be Published
3Q0G
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BU of 3q0g by Molmil
Crystal Structure of the Mycobacterium tuberculosis Crotonase Bound to a Reaction Intermediate Derived from Crotonyl CoA
Descriptor: Butyryl Coenzyme A, COENZYME A, GLYCEROL, ...
Authors:Bruning, J.B, Delgado, E, Ghosh, S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-12-15
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal Structure of the Prokaryotic Crotonase
To be Published
2Q6S
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2.4 angstrom crystal structure of PPAR gamma complexed to BVT.13 without co-activator peptides
Descriptor: 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q5P
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BU of 2q5p by Molmil
Crystal Structure of PPARgamma bound to partial agonist MRL24
Descriptor: (2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q59
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BU of 2q59 by Molmil
Crystal Structure of PPARgamma LBD bound to full agonist MRL20
Descriptor: (2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-05-31
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q6R
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BU of 2q6r by Molmil
Crystal structure of PPAR gamma complexed with partial agonist SF147
Descriptor: 5-CHLORO-1-(3-METHOXYBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q5S
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BU of 2q5s by Molmil
Crystal Structure of PPARgamma bound to partial agonist nTZDpa
Descriptor: 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q61
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BU of 2q61 by Molmil
Crystal Structure of PPARgamma ligand binding domain bound to partial agonist SR145
Descriptor: 1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-06-04
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2QXS
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BU of 2qxs by Molmil
Crystal Structure of Antagonizing Mutant 536S of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Raloxifene
Descriptor: Estrogen receptor, RALOXIFENE
Authors:Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W.
Deposit date:2007-08-12
Release date:2008-09-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
2QZO
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BU of 2qzo by Molmil
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with WAY-169916
Descriptor: 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W.
Deposit date:2007-08-16
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
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
5TUP
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BU of 5tup by Molmil
X-ray Crystal Structure of the Aspergillus fumigatus Sliding Clamp
Descriptor: Proliferating cell nuclear antigen
Authors:Bruning, J.B, Marshall, A.C, Kroker, A.J, Wegener, K.L, Rajapaksha, H.
Deposit date:2016-11-06
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Structure of the sliding clamp from the fungal pathogen Aspergillus fumigatus (AfumPCNA) and interactions with Human p21.
FEBS J., 284, 2017
5U5L
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BU of 5u5l by Molmil
X-ray Crystal Structure of the PPARgamma Ligand Binding Domain in Complex with Rivoglitazone
Descriptor: (5S)-5-({4-[(6-methoxy-1-methyl-1H-benzimidazol-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Bruning, J.B, Rajapaksha, H, Wegener, K, Bhatia, H.
Deposit date:2016-12-06
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:X-ray crystal structure of rivoglitazone bound to PPAR gamma and PPAR subtype selectivity of TZDs.
Biochim. Biophys. Acta, 1861, 2017
5TTO
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BU of 5tto by Molmil
X-ray crystal structure of PPARgamma in complex with SR1643
Descriptor: 4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide, Peroxisome proliferator-activated receptor gamma
Authors:Bruning, J.B, Frkic, R.L, Griffin, P, Kamenecka, T, Abell, A.
Deposit date:2016-11-04
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Structure-Activity Relationship of 2,4-Dichloro-N-(3,5-dichloro-4-(quinolin-3-yloxy)phenyl)benzenesulfonamide (INT131) Analogs for PPAR gamma-Targeted Antidiabetics.
J. Med. Chem., 60, 2017
6C5Q
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BU of 6c5q by Molmil
PPARg LBD bound to SR10171
Descriptor: 2-{3-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Bruning, J.B, Frkic, R.L.
Deposit date:2018-01-16
Release date:2018-08-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.404 Å)
Cite:PPAR gamma in Complex with an Antagonist and Inverse Agonist: a Tumble and Trap Mechanism of the Activation Helix.
iScience, 5, 2018
6C5T
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PPARg LBD bound to SR11023
Descriptor: 2-{4-[(5-{[(1R)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Bruning, J.B, Frkic, R.L, Griffin, P.R.
Deposit date:2018-01-16
Release date:2018-08-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:PPAR gamma in Complex with an Antagonist and Inverse Agonist: a Tumble and Trap Mechanism of the Activation Helix.
iScience, 5, 2018

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