3MEE
 
 | | HIV-1 Reverse Transcriptase in Complex with TMC278 | | Descriptor: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, SULFATE ION, p51 Reverse transcriptase, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2010-03-31 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
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3RKD
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3N7O
 | | X-ray structure of human chymase in complex with small molecule inhibitor. | | Descriptor: | (S)-[(1S)-1-(5-chloro-1-benzothiophen-3-yl)-2-{[(E)-2-(3,4-difluorophenyl)ethenyl]amino}-2-oxoethyl]methylphosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ... | | Authors: | Abad, M.C, Kervinen, J, Crysler, C, Bayoumy, S, Spurlino, J, Deckman, I, Greco, M.N, Maryanoff, B.E, Degaravilla, L. | | Deposit date: | 2010-05-27 | | Release date: | 2010-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Potency variation of small-molecule chymase inhibitors across species.
Biochem. Pharmacol., 80, 2010
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3OSQ
 | | Maltose-bound maltose sensor engineered by insertion of circularly permuted green fluorescent protein into E. coli maltose binding protein at position 175 | | Descriptor: | Maltose-binding periplasmic protein,Green fluorescent protein, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Echevarria, I.M, Marvin, J.S, Looger, L.L, Schreiter, E.R. | | Deposit date: | 2010-09-09 | | Release date: | 2011-10-26 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A genetically encoded, high-signal-to-noise maltose sensor.
Proteins, 79, 2011
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3OEO
 | | The crystal structure E. coli Spy | | Descriptor: | CADMIUM ION, Spheroplast protein Y | | Authors: | Kwon, E, Kim, D.Y, Gross, C.A, Gross, J.D, Kim, K.K. | | Deposit date: | 2010-08-13 | | Release date: | 2010-09-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The crystal structure Escherichia coli Spy.
Protein Sci., 19, 2010
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3GGQ
 | | Dimerization of Hepatitis E Virus Capsid Protein E2s Domain is Essential for Virus-Host Interaction | | Descriptor: | BROMIDE ION, Capsid protein | | Authors: | Li, S.W, Tang, X.H, Seetharaman, J, Yang, C.Y, Gu, Y, Zhang, J, Du, H.L, Shih, J.W.K, Hew, C.L, Sivaraman, J, Xia, N.S. | | Deposit date: | 2009-03-02 | | Release date: | 2009-08-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dimerization of hepatitis E virus capsid protein E2s domain is essential for virus-host interaction
Plos Pathog., 5, 2009
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3PA9
 | | Mechanism of inactivation of E. coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid (S-ADFA) pH 7.5 | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminofuran-2-carboxylic acid, Aspartate aminotransferase, ... | | Authors: | Liu, D, Pozharski, E, Fu, M, Silverman, R.B, Ringe, D. | | Deposit date: | 2010-10-19 | | Release date: | 2010-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism of inactivation of Escherichia coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid .
Biochemistry, 49, 2010
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3OSR
 | | Maltose-bound maltose sensor engineered by insertion of circularly permuted green fluorescent protein into E. coli maltose binding protein at position 311 | | Descriptor: | Maltose-binding periplasmic protein,Green fluorescent protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Echevarria, I.M, Marvin, J.S, Looger, L.L, Schreiter, E.R. | | Deposit date: | 2010-09-09 | | Release date: | 2011-10-26 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A genetically encoded, high-signal-to-noise maltose sensor.
Proteins, 79, 2011
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3GOL
 | | HCV NS5b polymerase in complex with 1,5 benzodiazepine inhibitor (R)-11d | | Descriptor: | (11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, MAGNESIUM ION, RNA-directed RNA polymerase | | Authors: | Nyanguile, O, De Bondt, H. | | Deposit date: | 2009-03-19 | | Release date: | 2009-06-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | 1,5-Benzodiazepine inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
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3QIN
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3CQE
 | | Wee1 kinase complex with inhibitor PD074291 | | Descriptor: | 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Squire, C.J, Baker, E.N. | | Deposit date: | 2008-04-02 | | Release date: | 2009-02-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Determinants of Wee1 Inhibitor Selectivity
To be Published
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3CR0
 | | Wee1 kinase complex with inhibitor PD259_809 | | Descriptor: | 4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione, CHLORIDE ION, GLYCEROL, ... | | Authors: | Squire, C.J, Baker, E.N. | | Deposit date: | 2008-04-03 | | Release date: | 2009-02-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural determinants of Wee1 inhibitor selectivity
To be Published
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3CZ4
 | | Native AphA class B acid phosphatase/phosphotransferase from E. coli | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Leone, R, Cappelletti, E, Benvenuti, M, Lentini, G, Thaller, M.C, Mangani, S. | | Deposit date: | 2008-04-28 | | Release date: | 2008-11-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insights into the catalytic mechanism of the bacterial class B phosphatase AphA belonging to the DDDD superfamily of phosphohydrolases.
J.Mol.Biol., 384, 2008
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1TOE
 | | Unliganded structure of Hexamutant + A293D mutant of E. coli aspartate aminotransferase | | Descriptor: | Aspartate aminotransferase, SULFATE ION | | Authors: | Chow, M.A, McElroy, K.E, Corbett, K.D, Berger, J.M, Kirsch, J.F. | | Deposit date: | 2004-06-14 | | Release date: | 2004-10-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Narrowing substrate specificity in a directly evolved enzyme: the A293D mutant of aspartate aminotransferase
Biochemistry, 43, 2004
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1RYL
 | | The Crystal Structure of a Protein of Unknown Function YfbM from Escherichia coli | | Descriptor: | Hypothetical protein yfbM | | Authors: | Zhang, R, Evdokimova, E, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2003-12-22 | | Release date: | 2004-07-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 1.6A crystal structure of a hypothetical protein yfbM from E. coli
To be Published
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3D3C
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3DVZ
 | | Crystal Structure of the Sarcin/Ricin Domain from E. coli 23 S rRNA | | Descriptor: | GLYCEROL, Sarcin/Ricin Domain from E. Coli 23 S rRNA | | Authors: | Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E. | | Deposit date: | 2008-07-21 | | Release date: | 2009-03-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | A fast selenium derivatization strategy for crystallization and phasing of RNA structures.
Rna, 15, 2009
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3DW6
 | | Crystal Structure of the Sarcin/Ricin Domain from E. COLI 23 S rRNA, U2650-SECH3 modified | | Descriptor: | GLYCEROL, Sarcin/Ricin Domain from E. Coli 23 S rRNA | | Authors: | Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E. | | Deposit date: | 2008-07-21 | | Release date: | 2009-03-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | A fast selenium derivatization strategy for crystallization and phasing of RNA structures.
Rna, 15, 2009
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3DW4
 | | Crystal Structure of the Sarcin/Ricin Domain from E. COLI 23 S rRNA, U2650-OCH3 modified | | Descriptor: | GLYCEROL, Sarcin/Ricin Domain from E. Coli 23 S rRNA | | Authors: | Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E. | | Deposit date: | 2008-07-21 | | Release date: | 2009-03-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | A fast selenium derivatization strategy for crystallization and phasing of RNA structures.
Rna, 15, 2009
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3S4U
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2ALV
 | | X-ray structural analysis of SARS coronavirus 3CL proteinase in complex with designed anti-viral inhibitors | | Descriptor: | N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE, Replicase polyprotein 1ab | | Authors: | Ghosh, A.K, Xi, K, Ratia, K, Santarsiero, B.D, Fu, W, Harcourt, B.H, Rota, P.A, Baker, S.C, Johnson, M.E, Mesecar, A.D. | | Deposit date: | 2005-08-08 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors.
J.Med.Chem., 48, 2005
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3DW7
 | | Crystal Structure of the Sarcin/Ricin Domain from E. COLI 23 S rRNA, U2656-SeCH3 modified | | Descriptor: | Sarcin/Ricin Domain from E. Coli 23 S rRNA | | Authors: | Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E. | | Deposit date: | 2008-07-21 | | Release date: | 2009-03-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | A fast selenium derivatization strategy for crystallization and phasing of RNA structures.
Rna, 15, 2009
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3DHX
 | | Crystal structure of isolated C2 domain of the methionine uptake transporter | | Descriptor: | IODIDE ION, Methionine import ATP-binding protein metN | | Authors: | Johnson, E, Kaiser, J.T, Lee, A.T, Rees, D.C. | | Deposit date: | 2008-06-18 | | Release date: | 2008-08-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The high-affinity E. coli methionine ABC transporter: structure and allosteric regulation.
Science, 321, 2008
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3D3B
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3TN8
 | | CDK9/cyclin T in complex with CAN508 | | Descriptor: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, Cyclin-T1, Cyclin-dependent kinase 9, ... | | Authors: | Baumli, S, Hole, A.J, Endicott, J.E. | | Deposit date: | 2011-09-01 | | Release date: | 2012-02-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | The CDK9 C-helix Exhibits Conformational Plasticity That May Explain the Selectivity of CAN508.
Acs Chem.Biol., 7, 2012
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