8HZV
| The crystal structure of a Radical SAM Enzyme DesII | Descriptor: | GLYCEROL, IRON/SULFUR CLUSTER, METHIONINE, ... | Authors: | Hou, X.L, Zhou, J.H. | Deposit date: | 2023-01-09 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.33001685 Å) | Cite: | Mechanistic Insights from the Crystal Structure and Computational Analysis of the Radical SAM Deaminase DesII. Adv Sci, 2024
|
|
3L0E
| X-ray crystal structure of a Potent Liver X Receptor Modulator | Descriptor: | N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide, Nuclear receptor coactivator 2, Oxysterols receptor LXR-beta | Authors: | Gampe Jr, R.T. | Deposit date: | 2009-12-09 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of tertiary sulfonamides as potent liver X receptor antagonists. J.Med.Chem., 53, 2010
|
|
7UBO
| Crystal Structure of the first bromodomain of human BRDT in complex with the inhibitor CCD-956 | Descriptor: | Bromodomain testis-specific protein, DIMETHYL SULFOXIDE, N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide | Authors: | Ta, H.M, Modukuri, R.K, Yu, Z, Tan, Z, Matzuk, M.M, Kim, C. | Deposit date: | 2022-03-15 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery of potent BET bromodomain 1 stereoselective inhibitors using DNA-encoded chemical library selections. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
1XVP
| crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid and CITCO | Descriptor: | 6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ... | Authors: | Xu, R.X, Lambert, M.H, Wisely, B.B, Warren, E.N, Weinert, E.E, Waitt, G.M, Williams, J.D, Moore, L.B, Willson, T.M, Moore, J.T. | Deposit date: | 2004-10-28 | Release date: | 2004-12-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer. Mol.Cell, 16, 2004
|
|
1XV9
| crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid, and 5b-pregnane-3,20-dione. | Descriptor: | (5BETA)-PREGNANE-3,20-DIONE, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ... | Authors: | Xu, R.X, Lambert, M.H, Wisely, B.B, Warren, E.N, Weinert, E.E, Waitt, G.M, Williams, J.D, Moore, L.B, Willson, T.M, Moore, J.T. | Deposit date: | 2004-10-27 | Release date: | 2004-12-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer. Mol.Cell, 16, 2004
|
|
4PRG
| 0072 PARTIAL AGONIST PPAR GAMMA COCRYSTAL | Descriptor: | (+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-2-HEPTYL-4-OXO-5-THIAZOLIDINE, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA) | Authors: | Milburn, M.V. | Deposit date: | 1999-05-07 | Release date: | 1999-05-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A peroxisome proliferator-activated receptor gamma ligand inhibits adipocyte differentiation. Proc.Natl.Acad.Sci.USA, 96, 1999
|
|
2I4Z
| |
2I4P
| |
2I4J
| |
4GLX
| DNA ligase A in complex with inhibitor | Descriptor: | 2-amino-6-bromo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide, DNA (26-MER), DNA (5'-D(*AP*CP*AP*AP*TP*TP*GP*CP*GP*AP*CP*CP*C)-3'), ... | Authors: | Prade, L, Lange, R, Tidten-Luksch, N, Chambovey, A. | Deposit date: | 2012-08-15 | Release date: | 2012-10-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided design, synthesis and biological evaluation of novel DNA ligase inhibitors with in vitro and in vivo anti-staphylococcal activity. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4GLW
| DNA ligase A in complex with inhibitor | Descriptor: | 7-methoxy-6-methylpteridine-2,4-diamine, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ... | Authors: | Prade, L, Lange, R, Tidten-Luksch, N, Chambovey, A. | Deposit date: | 2012-08-15 | Release date: | 2012-10-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-guided design, synthesis and biological evaluation of novel DNA ligase inhibitors with in vitro and in vivo anti-staphylococcal activity. Bioorg.Med.Chem.Lett., 22, 2012
|
|
3SR4
| Crystal Structure of Human DOT1L in Complex with a Selective Inhibitor | Descriptor: | (2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, ACETATE ION, GLYCEROL, ... | Authors: | Diao, J, Chen, P, Yao, Y, Prasad, B.V.V, Song, Y. | Deposit date: | 2011-07-06 | Release date: | 2011-10-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Selective Inhibitors of Histone Methyltransferase DOT1L: Design, Synthesis, and Crystallographic Studies. J.Am.Chem.Soc., 133, 2011
|
|
5V3Q
| Human GSTO1-1 complexed with ML175 | Descriptor: | Glutathione S-transferase omega-1, N-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide, SULFATE ION | Authors: | Oakley, A.J. | Deposit date: | 2017-03-07 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | GSTO1-1 plays a pro-inflammatory role in models of inflammation, colitis and obesity. Sci Rep, 7, 2017
|
|
2EWP
| |
1SKX
| Structural Disorder in the Complex of Human PXR and the Macrolide Antibiotic Rifampicin | Descriptor: | Orphan nuclear receptor PXR, RIFAMPICIN | Authors: | Chrencik, J.E, Xue, Y, Orans, J.O, Redinbo, M.R. | Deposit date: | 2004-03-05 | Release date: | 2005-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural disorder in the complex of human pregnane x receptor and the macrolide antibiotic rifampicin Mol.Endocrinol., 19, 2005
|
|
2ACL
| Liver X-Receptor alpha Ligand Binding Domain with SB313987 | Descriptor: | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE, Oxysterols receptor LXR-alpha, RETINOIC ACID, ... | Authors: | Jaye, M.C, Krawiec, J.A, Campobasso, N, Smallwood, A, Qiu, C, Lu, Q, Kerrigan, J.J. | Deposit date: | 2005-07-19 | Release date: | 2005-09-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of substituted maleimides as liver x receptor agonists and determination of a ligand-bound crystal structure. J.Med.Chem., 48, 2005
|
|
3CDP
| Crystal structure of PPAR-gamma LBD complexed with a partial agonist, analogue of clofibric acid | Descriptor: | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Mazza, F. | Deposit date: | 2008-02-27 | Release date: | 2009-01-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Synthesis, biological evaluation and molecular investigation of fluorinated peroxisome proliferator-activated receptors alpha/gamma dual agonists Bioorg.Med.Chem., 20, 2012
|
|
3CDS
| |
3B3K
| Crystal structure of the complex between PPARgamma and the full agonist LT175 | Descriptor: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Crestani, M, Godio, C. | Deposit date: | 2007-10-22 | Release date: | 2008-10-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design J.Med.Chem., 51, 2008
|
|
8T0B
| |
8T1N
| Micro-ED Structure of a Novel Domain of Unknown Function Solved with AlphaFold | Descriptor: | DUF1842 domain-containing protein | Authors: | Miller, J.E, Cascio, D, Sawaya, M.R, Cannon, K.A, Rodriguez, J.A, Yeates, T.O. | Deposit date: | 2023-06-02 | Release date: | 2024-01-17 | Last modified: | 2024-04-10 | Method: | ELECTRON CRYSTALLOGRAPHY (3 Å) | Cite: | AlphaFold-assisted structure determination of a bacterial protein of unknown function using X-ray and electron crystallography. Acta Crystallogr D Struct Biol, 80, 2024
|
|
8T1M
| Novel Domain of Unknown Function Solved with AlphaFold | Descriptor: | DUF1842 domain-containing protein | Authors: | Miller, J.E, Agdanowski, M.P, Cascio, D, Sawaya, M.R, Yeates, T.O. | Deposit date: | 2023-06-02 | Release date: | 2024-01-17 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | AlphaFold-assisted structure determination of a bacterial protein of unknown function using X-ray and electron crystallography. Acta Crystallogr D Struct Biol, 80, 2024
|
|
1ILH
| |
1ILG
| |
1SOA
| Human DJ-1 with sulfinic acid | Descriptor: | RNA-binding protein regulatory subunit; oncogene DJ1 | Authors: | Canet-Aviles, R, Wilson, M.A, Miller, D.W, Ahmad, R, McLendon, C, Bandyopadhyay, S, Baptista, M.J, Ringe, D, Petsko, G.A, Cookson, M.R. | Deposit date: | 2004-03-13 | Release date: | 2004-06-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The Parkinson's disease protein DJ-1 is neuroprotective due to cysteine-sulfinic acid-driven mitochondrial localization. Proc.Natl.Acad.Sci.USA, 101, 2004
|
|