3UGR
| AKR1C3 complex with indomethacin at pH 6.8 | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, DIMETHYL SULFOXIDE, ... | Authors: | Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M, Squire, C.J. | Deposit date: | 2011-11-02 | Release date: | 2012-08-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
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3UG8
| AKR1C3 complex with indomethacin at pH 7.5 | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, INDOMETHACIN, ... | Authors: | Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M, Squire, C.J. | Deposit date: | 2011-11-02 | Release date: | 2012-08-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
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2P7K
| Crystal structure of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes (hexagonal form) | Descriptor: | CITRIC ACID, Glyoxalase family protein | Authors: | Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N. | Deposit date: | 2007-03-20 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes. Biochemistry, 46, 2007
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2P7Q
| Crystal structure of E126Q mutant of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes complexed with MN(II) and 1S,2S-dihydroxypropylphosphonic acid | Descriptor: | Glyoxalase family protein, MANGANESE (II) ION, [(1S,2S)-1,2-DIHYDROXYPROPYL]PHOSPHONIC ACID | Authors: | Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N. | Deposit date: | 2007-03-20 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes. Biochemistry, 46, 2007
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3VOZ
| Crystal structure of human glutaminase in complex with BPTES | Descriptor: | Glutaminase kidney isoform, mitochondrial, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ... | Authors: | Thangavelu, K, Sivaraman, J. | Deposit date: | 2012-02-23 | Release date: | 2012-06-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism. Proc.Natl.Acad.Sci.USA, 109, 2012
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2XYA
| Non-covalent inhibtors of rhinovirus 3C protease. | Descriptor: | 2-PHENYLQUINOLIN-4-OL, PICORNAIN 3C | Authors: | Petersen, J, Edman, K, Edfeldt, F, Johansson, C. | Deposit date: | 2010-11-16 | Release date: | 2011-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Non-Covalent Inhibitors of Rhinovirus 3C Protease. Bioorg.Med.Chem.Lett., 21, 2011
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2OOW
| MIF Bound to a Fluorinated OXIM Derivative | Descriptor: | 3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Crichlow, G.V, Al-Abed, Y, Lolis, E. | Deposit date: | 2007-01-26 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor. J.Biol.Chem., 282, 2007
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1Q0B
| Crystal structure of the motor protein KSP in complex with ADP and monastrol | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, Kinesin-like protein KIF11, ... | Authors: | Yan, Y, Sardana, V, Xu, B, Halczenko, W, Homnick, C, Buser, C.A, Hartman, G.D, Huber, H.E, Kuo, L.C. | Deposit date: | 2003-07-15 | Release date: | 2004-01-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibition of a mitotic motor protein: where, how, and conformational consequences J.Mol.Biol., 335, 2004
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3VP2
| Crystal structure of human glutaminase in complex with inhibitor 2 | Descriptor: | 5,5'-(sulfanediyldiethane-2,1-diyl)bis(1,3,4-thiadiazol-2-amine), Glutaminase kidney isoform, mitochondrial, ... | Authors: | Thangavelu, K, Sivaraman, J. | Deposit date: | 2012-02-23 | Release date: | 2012-06-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism. Proc.Natl.Acad.Sci.USA, 109, 2012
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3VP0
| Crystal structure of human glutaminase in complex with L-glutamine | Descriptor: | GLUTAMINE, Glutaminase kidney isoform, mitochondrial, ... | Authors: | Thangavelu, K, Sivaraman, J. | Deposit date: | 2012-02-23 | Release date: | 2012-06-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism. Proc.Natl.Acad.Sci.USA, 109, 2012
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3VOY
| Crystal structure of human glutaminase in apo form | Descriptor: | Glutaminase kidney isoform, mitochondrial, SULFATE ION | Authors: | Thangavelu, K, Sivaraman, J. | Deposit date: | 2012-02-23 | Release date: | 2012-06-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism. Proc.Natl.Acad.Sci.USA, 109, 2012
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3VP3
| Crystal structure of human glutaminase in complex with inhibitor 3 | Descriptor: | 5,5'-pentane-1,5-diylbis(1,3,4-thiadiazol-2-amine), Glutaminase kidney isoform, mitochondrial, ... | Authors: | Thangavelu, K, Sivaraman, J. | Deposit date: | 2012-02-23 | Release date: | 2012-06-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism. Proc.Natl.Acad.Sci.USA, 109, 2012
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3VP1
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3PKJ
| Human SIRT6 crystal structure in complex with 2'-N-Acetyl ADP ribose | Descriptor: | NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ... | Authors: | Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-11 | Release date: | 2011-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure and biochemical functions of SIRT6. J.Biol.Chem., 286, 2011
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1TNQ
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3VP4
| Crystal structure of human glutaminase in complex with inhibitor 4 | Descriptor: | 5,5'-butane-1,4-diylbis(1,3,4-thiadiazol-2-amine), Glutaminase kidney isoform, mitochondrial | Authors: | Thangavelu, K, Sivaraman, J. | Deposit date: | 2012-02-23 | Release date: | 2012-06-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism. Proc.Natl.Acad.Sci.USA, 109, 2012
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3IFB
| NMR STUDY OF HUMAN INTESTINAL FATTY ACID BINDING PROTEIN | Descriptor: | INTESTINAL FATTY ACID BINDING PROTEIN | Authors: | Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A. | Deposit date: | 1998-10-16 | Release date: | 1998-10-21 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of human intestinal fatty acid binding protein: implications for ligand entry and exit. J.Biomol.NMR, 9, 1997
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2N7O
| NMR Structure of Peptide PG-990 in DPC micelles | Descriptor: | Peptide PG-990 | Authors: | Carotenuto, A, Merlino, F, Chai, M, Brancaccio, D, Yousif, A, Novellino, E, Hruby, V, Grieco, P. | Deposit date: | 2015-09-16 | Release date: | 2015-12-16 | Last modified: | 2017-10-11 | Method: | SOLUTION NMR | Cite: | Discovery of Novel Potent and Selective Agonists at the Melanocortin-3 Receptor. J.Med.Chem., 58, 2015
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1CYN
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3PNW
| Crystal Structure of the tudor domain of human TDRD3 in complex with an anti-TDRD3 FAB | Descriptor: | FAB heavy chain, FAB light chain, Tudor domain-containing protein 3, ... | Authors: | Loppnau, P, Tempel, W, Wernimont, A.K, Lam, R, Ravichandran, M, Adams-Cioaba, M.A, Persson, H, Sidhu, S.S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Cossar, D, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-19 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | CDR-H3 Diversity Is Not Required for Antigen Recognition by Synthetic Antibodies. J.Mol.Biol., 425, 2013
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2N7N
| NMR structure of Peptide PG-989 in DPC micelles | Descriptor: | Peptide PG-989 | Authors: | Carotenuto, A, Merlino, F, Chai, M, Brancaccio, D, Yousif, A, Novellino, E, Hruby, V, Grieco, P. | Deposit date: | 2015-09-16 | Release date: | 2015-12-16 | Last modified: | 2017-10-11 | Method: | SOLUTION NMR | Cite: | Discovery of Novel Potent and Selective Agonists at the Melanocortin-3 Receptor. J.Med.Chem., 58, 2015
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2N7T
| NMR structure of Peptide PG-992 in DPC micelles | Descriptor: | Peptide PG-992 | Authors: | Carotenuto, A, Merlino, F, Chai, M, Brancaccio, D, Yousif, A, Novellino, E, Hruby, V, Grieco, P. | Deposit date: | 2015-09-17 | Release date: | 2015-12-16 | Last modified: | 2017-10-11 | Method: | SOLUTION NMR | Cite: | Discovery of Novel Potent and Selective Agonists at the Melanocortin-3 Receptor. J.Med.Chem., 58, 2015
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2HDE
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2P7O
| Crystal structure of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes (tetragonal form) | Descriptor: | Glyoxalase family protein, MANGANESE (II) ION | Authors: | Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N. | Deposit date: | 2007-03-20 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes. Biochemistry, 46, 2007
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4FL6
| Crystal structure of the complex of the 3-MBT repeat domain of L3MBTL3 and UNC1215 | Descriptor: | Lethal(3)malignant brain tumor-like protein 3, UNKNOWN ATOM OR ION, [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone} | Authors: | Zhong, N, Tempel, W, Ravichandran, M, Dong, A, Ingerman, L.A, Graslund, S, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-06-14 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of a chemical probe for the L3MBTL3 methyllysine reader domain. Nat. Chem. Biol., 9, 2013
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