5X2F
 
 | | Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(6) | | Descriptor: | 9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, Epidermal growth factor receptor | | Authors: | Yun, C.H. | | Deposit date: | 2017-01-31 | | Release date: | 2018-02-07 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
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4CGH
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | 5-[[(1S,2R)-2-(4-azanylbutanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, INTEGRASE, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-11-25 | | Release date: | 2013-12-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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2BMO
 | | The Crystal Structure of Nitrobenzene Dioxygenase | | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, FE (III) ION, ... | | Authors: | Friemann, R, Ivkovic-Jensen, M.M, Lessner, D.J, Yu, C, Gibson, D.T, Parales, R.E, Eklund, H, Ramaswamy, S. | | Deposit date: | 2005-03-15 | | Release date: | 2005-05-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural insight into the dioxygenation of nitroarene compounds: the crystal structure of nitrobenzene dioxygenase.
J. Mol. Biol., 348, 2005
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4RV4
 | | 2.65 Angstrom Resolution Crystal Structure of an orotate phosphoribosyltransferase from Bacillus anthracis str. 'Ames Ancestor' in complex with 5-phospho-alpha-D-ribosyl diphosphate (PRPP) | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, DI(HYDROXYETHYL)ETHER, Orotate phosphoribosyltransferase | | Authors: | Halavaty, A.S, Minasov, G, Shuvalova, L, Winsor, J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-11-24 | | Release date: | 2014-12-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | 2.65 Angstrom resolution crystal structure of an orotate phosphoribosyltransferase from Bacillus anthracis str. 'Ames Ancestor' in complex with 5-phospho-alpha-D-ribosyl diphosphate (PRPP)
To be Published
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3IUW
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4CJK
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | 5-[(2S)-4-methyl-2-{[(1H-pyrrol-3-ylacetyl)amino]methyl}pentyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-12-21 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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4P3F
 | | Structure of the human SRP68-RBD | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Signal recognition particle subunit SRP68 | | Authors: | Grotwinkel, J.T, Wild, K, Sinning, I. | | Deposit date: | 2014-03-07 | | Release date: | 2014-04-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | SRP RNA remodeling by SRP68 explains its role in protein translocation.
Science, 344, 2014
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4WVX
 | | Crystal structure of a phosphotriesterase-like lactonase Gkap in native form | | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, Phosphotriesterase | | Authors: | An, J, Zhang, Y, Yang, G.Y, Feng, Y. | | Deposit date: | 2014-11-07 | | Release date: | 2015-11-11 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Engineering a thermostable lactonase for enhanced phosphotriesterase activity against organophosphate pesticides
To Be Published
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4PTW
 | | Halothermothrix orenii beta-glucosidase A, 2-deoxy-2-fluoro-glucose complex | | Descriptor: | 2-deoxy-2-fluoro-alpha-D-glucopyranose, Glycoside hydrolase family 1, TETRAETHYLENE GLYCOL | | Authors: | Hassan, N, Nguyen, T.H, Kori, L.D, Patel, B.K.C, Haltrich, D, Divne, C, Tan, T.C. | | Deposit date: | 2014-03-11 | | Release date: | 2014-09-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biochemical and structural characterization of a thermostable beta-glucosidase from Halothermothrix orenii for galacto-oligosaccharide synthesis.
Appl.Microbiol.Biotechnol., 99, 2015
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4PUZ
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4CIE
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | 5-[(E)-[(2S)-2-(6-azanylhexanoylamino)-2,3-dihydroinden-1-ylidene]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-12-07 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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4CK3
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | 5-[(2S)-2-{[(4-aminobutanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, INTEGRASE, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-12-24 | | Release date: | 2014-01-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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5C3P
 | | Crystal structure of the full-length Neurospora crassa T7H in complex with alpha-KG | | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, NICKEL (II) ION, ... | | Authors: | Li, W, Zhang, T, Ding, J. | | Deposit date: | 2015-06-17 | | Release date: | 2015-10-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular basis for the substrate specificity and catalytic mechanism of thymine-7-hydroxylase in fungi
Nucleic Acids Res., 43, 2015
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5U6H
 | | Solution structure of the zinc fingers 1 and 2 of MBNL1 | | Descriptor: | Muscleblind-like protein 1, ZINC ION | | Authors: | Phukan, P.D, Park, S, Martinez-Yamout, M.M, Zeeb, M, Dyson, H.J, Wright, P.E. | | Deposit date: | 2016-12-08 | | Release date: | 2017-08-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Basis for Interaction of the Tandem Zinc Finger Domains of Human Muscleblind with Cognate RNA from Human Cardiac Troponin T.
Biochemistry, 56, 2017
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4CJ3
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | 5-[[(1R,2S)-2-(5-azanylpentanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, INTEGRASE, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-12-19 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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4CJR
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | 2-methoxy-6-[[[6-[(4-methoxyphenyl)methylcarbamoyl]-1,3-benzodioxol-5-yl]methyl-methyl-amino]methyl]benzoic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-12-22 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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4PL4
 | | Crystal structure of murine IRE1 in complex with OICR464 inhibitor | | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F. | | Deposit date: | 2014-05-16 | | Release date: | 2014-09-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors.
Nat Commun, 5, 2014
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6C94
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3IUZ
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1P29
 | | Crystal Structure of glycogen phosphorylase b in complex with maltopentaose | | Descriptor: | Glycogen phosphorylase, muscle form, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Pinotsis, N, Leonidas, D.D, Chrysina, E.D, Oikonomakos, N.G, Mavridis, I.M. | | Deposit date: | 2003-04-15 | | Release date: | 2003-09-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The binding of beta- and gamma-cyclodextrins to glycogen phosphorylase b: Kinetic and crystallographic studies.
Protein Sci., 12, 2003
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6LUI
 | | Crystal structure of the SAMD1 WH domain and DNA complex | | Descriptor: | Atherin, DNA (5'-D(*AP*CP*CP*TP*GP*CP*GP*CP*AP*CP*CP*AP*T)-3'), DNA (5'-D(*AP*TP*GP*GP*TP*GP*CP*GP*CP*AP*GP*GP*T)-3') | | Authors: | Zhou, Y, Cao, Y, Wang, Z. | | Deposit date: | 2020-01-29 | | Release date: | 2021-02-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.781 Å) | | Cite: | The SAM domain-containing protein 1 (SAMD1) acts as a repressive chromatin regulator at unmethylated CpG islands.
Sci Adv, 7, 2021
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5WBH
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6LUJ
 | | Crystal structure of the SAMD1 SAM domain | | Descriptor: | Atherin, SULFATE ION | | Authors: | Cao, Y, Zhou, Y, Wang, Z. | | Deposit date: | 2020-01-29 | | Release date: | 2021-02-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | The SAM domain-containing protein 1 (SAMD1) acts as a repressive chromatin regulator at unmethylated CpG islands.
Sci Adv, 7, 2021
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5DFA
 | | 3D structure of the E323A catalytic mutant of Gan42B, a GH42 beta-galactosidase from G. stearothermophilus | | Descriptor: | Beta-galactosidase, GLYCEROL, ZINC ION | | Authors: | Solomon, H.V, Tabachnikov, O, Lansky, S, Feinberg, H, Govada, L, Chayen, N.E, Shoham, Y, Shoham, G. | | Deposit date: | 2015-08-26 | | Release date: | 2015-12-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-function relationships in Gan42B, an intracellular GH42 beta-galactosidase from Geobacillus stearothermophilus.
Acta Crystallogr.,Sect.D, 71, 2015
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2C52
 | | Structural diversity in CBP p160 complexes | | Descriptor: | CREB-BINDING PROTEIN, NUCLEAR RECEPTOR COACTIVATOR 1 | | Authors: | Waters, L.C, Yue, B, Veverka, V, Renshaw, P.S, Bramham, J, Matsuda, S, Frenkiel, T, Kelly, G, Muskett, F.W, Carr, M.D, Heery, D.M. | | Deposit date: | 2005-10-25 | | Release date: | 2006-03-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural diversity in p160/CREB-binding protein coactivator complexes.
J. Biol. Chem., 281, 2006
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