3LWB
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![BU of 3lwb by Molmil](/molmil-images/mine/3lwb) | 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
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6E5A
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![BU of 6e5a by Molmil](/molmil-images/mine/6e5a) | PPARg in complex with compound 4b | Descriptor: | (5Z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, Peroxisome proliferator-activated receptor gamma | Authors: | Bruning, J.B, Chua, B.S.K. | Deposit date: | 2018-07-19 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Shooting three inflammatory targets with a single bullet: Novel multi-targeting anti-inflammatory glitazones. Eur J Med Chem, 167, 2019
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4ZO1
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![BU of 4zo1 by Molmil](/molmil-images/mine/4zo1) | 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
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1U7B
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1U76
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![BU of 1u76 by Molmil](/molmil-images/mine/1u76) | |
5TTO
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![BU of 5tto by Molmil](/molmil-images/mine/5tto) | 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
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5U5L
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![BU of 5u5l by Molmil](/molmil-images/mine/5u5l) | 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
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5TUP
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![BU of 5tup by Molmil](/molmil-images/mine/5tup) | 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
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3Q0J
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3PZK
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3Q0G
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![BU of 3q0g by Molmil](/molmil-images/mine/3q0g) | 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
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6C5Q
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![BU of 6c5q by Molmil](/molmil-images/mine/6c5q) | 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
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6C5T
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![BU of 6c5t by Molmil](/molmil-images/mine/6c5t) | 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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6CBI
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![BU of 6cbi by Molmil](/molmil-images/mine/6cbi) | PCNA in complex with inhibitor | Descriptor: | GLY-ARG-LYS-ARG-ARG-GLN-DAB-SER-MET-THR-GLU-PHE-TYR-HIS, Proliferating cell nuclear antigen, SULFATE ION | Authors: | Bruning, J.B, Wegener, K.L. | Deposit date: | 2018-02-03 | Release date: | 2018-07-04 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Rational Design of a 310-Helical PIP-Box Mimetic Targeting PCNA, the Human Sliding Clamp. Chemistry, 24, 2018
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4FN7
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![BU of 4fn7 by Molmil](/molmil-images/mine/4fn7) | 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
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4FN8
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![BU of 4fn8 by Molmil](/molmil-images/mine/4fn8) | 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
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4FNB
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![BU of 4fnb by Molmil](/molmil-images/mine/4fnb) | 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
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4FJW
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4FND
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![BU of 4fnd by Molmil](/molmil-images/mine/4fnd) | 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
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2Q6S
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2Q59
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![BU of 2q59 by Molmil](/molmil-images/mine/2q59) | 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
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2Q5P
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![BU of 2q5p by Molmil](/molmil-images/mine/2q5p) | 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
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2Q6R
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![BU of 2q6r by Molmil](/molmil-images/mine/2q6r) | |
2Q5S
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![BU of 2q5s by Molmil](/molmil-images/mine/2q5s) | |
2Q61
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![BU of 2q61 by Molmil](/molmil-images/mine/2q61) | |