7DOJ
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4GST
| REACTION COORDINATE MOTION IN AN SNAR REACTION CATALYZED BY GLUTATHIONE TRANSFERASE | Descriptor: | 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE, GLUTATHIONE S-TRANSFERASE, SULFATE ION | Authors: | Ji, X, Armstrong, R.N, Gilliland, G.L. | Deposit date: | 1993-07-20 | Release date: | 1993-10-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Snapshots along the reaction coordinate of an SNAr reaction catalyzed by glutathione transferase. Biochemistry, 32, 1993
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4B3N
| Crystal structure of rhesus TRIM5alpha PRY/SPRY domain | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MALTOSE-BINDING PERIPLASMIC PROTEIN, TRIPARTITE MOTIF-CONTAINING PROTEIN 5, ... | Authors: | Yang, H, Ji, X, Zhao, Q, Xiong, Y. | Deposit date: | 2012-07-25 | Release date: | 2012-10-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural Insight Into HIV-1 Capsid Recognition by Rhesus Trim5Alpha Proc.Natl.Acad.Sci.USA, 109, 2012
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7NI3
| CRYSTAL STRUCTURE OF NATIVE HUMAN MYELOPEROXIDASE IN COMPLEX WITH CPD 3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6H-purin-6-one, CALCIUM ION, ... | Authors: | Sjogren, T, Inghardt, T. | Deposit date: | 2021-02-11 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of AZD4831, a Mechanism-Based Irreversible Inhibitor of Myeloperoxidase, As a Potential Treatment for Heart Failure with Preserved Ejection Fraction. J.Med.Chem., 65, 2022
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7NI1
| CRYSTAL STRUCTURE OF NATIVE HUMAN MYELOPEROXIDASE IN COMPLEX WITH CPD 9 | Descriptor: | (S)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Sjogren, T, Inghardt, T. | Deposit date: | 2021-02-11 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Discovery of AZD4831, a Mechanism-Based Irreversible Inhibitor of Myeloperoxidase, As a Potential Treatment for Heart Failure with Preserved Ejection Fraction. J.Med.Chem., 65, 2022
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5JLJ
| Crystal Structure of KPT8602 in complex with CRM1-Ran-RanBP1 | Descriptor: | (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, CHLORIDE ION, Exportin-1, ... | Authors: | Fung, H.Y, Chook, Y.M. | Deposit date: | 2016-04-27 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Next-generation XPO1 inhibitor shows improved efficacy and in vivo tolerability in hematological malignancies. Leukemia, 30, 2016
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4CZS
| Discovery of Glycomimetic Ligands via Genetically-encoded Library of Phage displaying Mannose-peptides | Descriptor: | 2-hydroxyethyl alpha-D-mannopyranoside, CALCIUM ION, Concanavalin V, ... | Authors: | Ng, S, Lin, E, Tjhung, K.F, Gerlits, O, Sood, A, Kasper, B, Deng, L, Kitov, P.I, Matochko, W.L, Paschal, B.M, Noren, C.J, Klassen, J, Mahal, L.K, Coates, L, Woods, R.J, Derda, R. | Deposit date: | 2014-04-22 | Release date: | 2015-04-22 | Last modified: | 2022-12-07 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Genetically-Encoded Fragment-Based Discovery of Glycopeptide Ligands for Carbohydrate-Binding Proteins. J.Am.Chem.Soc., 137, 2015
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2X24
| bovine ACC2 CT domain in complex with inhibitor | Descriptor: | ACETYL-COA CARBOXYLASE, TERT-BUTYL [(TRANS-4-{[({2-[4-(AMINOMETHYL)PHENYL]QUINOLIN-4-YL}CARBONYL)AMINO]METHYL}CYCLOHEXYL)METHYL]CARBAMATE | Authors: | Oster, L, Folmer, R, Blaho, S, Wiberg, F, Hallberg, K. | Deposit date: | 2010-01-11 | Release date: | 2011-01-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design of Small Molecule Inhibitors of Acetyl-Coa Carboxylase 1 and 2 Showing Reduction of Hepatic Malonyl-Coa Levels in Vivo in Obese Zucker Rats. Bioorg.Med.Chem., 19, 2011
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7FHZ
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7FI1
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7FI2
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7FI0
| Crystal structure of Multi-functional Polysaccharide lyase Smlt1473 (WT) from Stenotrophomonas maltophilia (strain K279a) in ManA bound form at pH-5.0 | Descriptor: | DI(HYDROXYETHYL)ETHER, Polysaccharide lyase, SULFATE ION, ... | Authors: | Pandey, S, Berger, B.W, Acharya, R. | Deposit date: | 2021-07-30 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural insights into the mechanism of pH-selective substrate specificity of the polysaccharide lyase Smlt1473. J.Biol.Chem., 297, 2021
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7FHY
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7FHX
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7FHU
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7FHV
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7FHW
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2GST
| STRUCTURE OF THE XENOBIOTIC SUBSTRATE BINDING SITE OF A GLUTATHIONE S-TRANSFERASE AS REVEALED BY X-RAY CRYSTALLOGRAPHIC ANALYSIS OF PRODUCT COMPLEXES WITH THE DIASTEREOMERS OF 9-(S-GLUTATHIONYL)-10-HYDROXY-9, 10-DIHYDROPHENANTHRENE | Descriptor: | GLUTATHIONE S-TRANSFERASE, L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, SULFATE ION | Authors: | Ji, X, Armstrong, R.N, Gilliland, G.L. | Deposit date: | 1993-06-07 | Release date: | 1993-10-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and function of the xenobiotic substrate binding site of a glutathione S-transferase as revealed by X-ray crystallographic analysis of product complexes with the diastereomers of 9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene. Biochemistry, 33, 1994
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1EMN
| NMR STUDY OF A PAIR OF FIBRILLIN CA2+ BINDING EPIDERMAL GROWTH FACTOR-LIKE DOMAINS, MINIMIZED AVERAGE STRUCTURE | Descriptor: | CALCIUM ION, FIBRILLIN | Authors: | Downing, A.K, Campbell, I.D, Handford, P.A. | Deposit date: | 1996-08-05 | Release date: | 1996-12-23 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a pair of calcium-binding epidermal growth factor-like domains: implications for the Marfan syndrome and other genetic disorders. Cell(Cambridge,Mass.), 85, 1996
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1EMO
| NMR STUDY OF A PAIR OF FIBRILLIN CA2+ BINDING EPIDERMAL GROWTH FACTOR-LIKE DOMAINS, 22 STRUCTURES | Descriptor: | CALCIUM ION, FIBRILLIN | Authors: | Downing, A.K, Campbell, I.D, Handford, P.A. | Deposit date: | 1996-08-05 | Release date: | 1996-12-23 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a pair of calcium-binding epidermal growth factor-like domains: implications for the Marfan syndrome and other genetic disorders. Cell(Cambridge,Mass.), 85, 1996
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2XCT
| The twinned 3.35A structure of S. aureus Gyrase complex with Ciprofloxacin and DNA | Descriptor: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, 5'-D(AP*GP*CP*CP*GP*TP*AP*G)-3', 5'-D(GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3', ... | Authors: | Bax, B.D, Chan, P, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | Deposit date: | 2010-04-25 | Release date: | 2010-08-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents. Nature, 466, 2010
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5NMZ
| human Neurturin (97-197) | Descriptor: | GLYCEROL, Neurturin | Authors: | Bigalke, J.M, Sandmark, J, Roth, R. | Deposit date: | 2017-04-07 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure and biophysical characterization of the human full-length neurturin-GFRa2 complex: A role for heparan sulfate in signaling. J. Biol. Chem., 293, 2018
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2M3M
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6C0O
| Crystal structure of HIV-1 K103N mutant reverse transcriptase in complex with non-nucleoside inhibitor 25a | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | Deposit date: | 2018-01-01 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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6C0N
| Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor 25a | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | Deposit date: | 2018-01-01 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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