Author results

1U76
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CRYSTAL STRUCTURE OF HPCNA BOUND TO RESIDUES 452-466 OF THE DNA POLYMERASE-DELTA-P66 SUBUNIT
Descriptor:Proliferating cell nuclear antigen, KANRQVSITGFFQRK peptide from DNA polymerase delta subunit 3
Authors:Bruning, J.B., Shamoo, Y.
Deposit date:2004-08-02
Release date:2004-12-14
Last modified:2011-07-13
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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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:2011-07-13
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
2Q59
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CRYSTAL STRUCTURE OF PPARGAMMA LBD BOUND TO FULL AGONIST MRL20
Descriptor:Peroxisome Proliferator-Activated Receptor gamma, (2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
Authors:Bruning, J.B., Nettles, K.W.
Deposit date:2007-05-31
Release date:2007-10-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q5P
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CRYSTAL STRUCTURE OF PPARGAMMA BOUND TO PARTIAL AGONIST MRL24
Descriptor:Peroxisome Proliferator-Activated Receptor gamma, (2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
Authors:Bruning, J.B., Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q5S
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CRYSTAL STRUCTURE OF PPARGAMMA BOUND TO PARTIAL AGONIST NTZDPA
Descriptor:Peroxisome Proliferator-Activated Receptor gamma, 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID
Authors:Bruning, J.B., Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2017-10-18
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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CRYSTAL STRUCTURE OF PPARGAMMA LIGAND BINDING DOMAIN BOUND TO PARTIAL AGONIST SR145
Descriptor:Peroxisome Proliferator-Activated Receptor gamma, 1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID
Authors:Bruning, J.B., Nettles, K.W.
Deposit date:2007-06-04
Release date:2007-10-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q6R
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CRYSTAL STRUCTURE OF PPAR GAMMA COMPLEXED WITH PARTIAL AGONIST SF147
Descriptor:Peroxisome Proliferator-Activated Receptor gamma, 5-CHLORO-1-(3-METHOXYBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID
Authors:Bruning, J.B., Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q6S
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2.4 ANGSTROM CRYSTAL STRUCTURE OF PPAR GAMMA COMPLEXED TO BVT.13 WITHOUT CO-ACTIVATOR PEPTIDES
Descriptor:Peroxisome Proliferator-Activated Receptor gamma, 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID
Authors:Bruning, J.B., Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2QXS
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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:2017-10-25
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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CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN COMPLEXED WITH WAY-169916
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
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:2017-10-25
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
3LWB
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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:2017-11-08
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
3PZK
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CRYSTAL STRUCTURE OF THE MYCOBACTERIUM TUBERCULOSIS CROTONASE IN APO FORM
Descriptor:e enoyl-CoA hydratase echA8, SULFATE ION
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:2017-11-08
Method:X-RAY DIFFRACTION (2.2303 Å)
Cite:Crystal Structure of the Prokaryotic Crotonase
To be Published
3Q0G
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CRYSTAL STRUCTURE OF THE MYCOBACTERIUM TUBERCULOSIS CROTONASE BOUND TO A REACTION INTERMEDIATE DERIVED FROM CROTONYL COA
Descriptor:enoyl-CoA hydratase echA8, MAGNESIUM ION, 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:2016-01-27
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal Structure of the Prokaryotic Crotonase
To be Published
3Q0J
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CRYSTAL STRUCTURE OF THE MYCOBACTERIUM TUBERCULOSIS CROTONASE IN COMPLEX WITH THE INHIBITOR ACETOACETYLCOA
Descriptor:enoyl-CoA hydratase echA8, ACETOACETYL-COENZYME A
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
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure and Mechanism of the Prokaryotic Crotonase
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
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure and Mechanism of the Prokaryotic Crotonase
To be Published
4FN7
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APO STRUCTURE OF THE MTB ENOYOL COA ISOMERASE (RV0632C)
Descriptor:Enoyl-CoA hydratase/isomerase family protein, CHLORIDE 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
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:Enoyl-CoA hydratase/isomerase family protein, ACETOACETYL-COENZYME A, 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:2017-11-15
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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CRYSTAL STRUCTURE OF THE MTB ENOYL COA ISOMERASE (RV0632C) IN COMPLEX WITH HYDROXYBUTYRL COA
Descriptor:Enoyl-CoA hydratase/isomerase family protein, SULFATE ION, 3-HYDROXYBUTANOYL-COENZYME A
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
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure and Mechanism of the Prokaryotic Enoyl CoA Isomerase
To be Published
4FND
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CRYSTAL STRUCTURE OF THE MTB ENOYL COA ISOMERASE IN COMPLEX WITH HYDROXYHEXANOYL COA
Descriptor:Enoyl-CoA hydratase/isomerase family protein, (S)-3-Hydroxyhexanoyl-CoA, 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:2018-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure and mechanism of the prokaryotic enoyl CoA isomerase
To be Published
2P15
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CRYSTAL STRUCTURE OF THE ER ALPHA LIGAND BINDING DOMAIN WITH THE AGONIST ORTHO-TRIFLUOROMETHYLPHENYLVINYL ESTRADIOL
Descriptor:Estrogen receptor, GRIP peptide, (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL
Authors:Bruning, J.B., Nettles, K.W., Greene, G.L., Kim, Y.
Deposit date:2007-03-02
Release date:2007-05-01
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural plasticity in the oestrogen receptor ligand-binding domain.
Embo Rep., 8, 2007
4ZO1
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CRYSTAL STRUCTURE OF THE T3-BOUND TR-BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH RXR-ALPHA
Descriptor:Thyroid hormone receptor beta, 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
Method:X-RAY DIFFRACTION (3.221 Å)
Cite:Structural mechanism for signal transduction in RXR nuclear receptor heterodimers.
Nat Commun, 6, 2015
5TTO
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X-RAY CRYSTAL STRUCTURE OF PPARGAMMA IN COMPLEX WITH SR1643
Descriptor:Peroxisome proliferator-activated receptor gamma, 4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide
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:2017-06-21
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
5TUP
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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:2017-11-01
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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X-RAY CRYSTAL STRUCTURE OF THE PPARGAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH RIVOGLITAZONE
Descriptor:Peroxisome proliferator-activated receptor gamma, (5S)-5-({4-[(6-methoxy-1-methyl-1H-benzimidazol-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
Authors:Bruning, J.B., Rajapaksha, H., Wegener, K., Bhatia, H.
Deposit date:2016-12-06
Release date:2017-08-23
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
6C5Q
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PPARG LBD BOUND TO SR10171
Descriptor:Peroxisome proliferator-activated receptor gamma, 2-{3-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid
Authors:Bruning, J.B., Frkic, R.L.
Deposit date:2018-01-16
Release date:2018-08-01
Last modified:2018-09-05
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