4CVQ
| CRYSTAL STRUCTURE OF AN AMINOTRANSFERASE FROM ESCHERICHIA COLI AT 2. 11 ANGSTROEM RESOLUTION | Descriptor: | ACETATE ION, GLUTAMATE-PYRUVATE AMINOTRANSFERASE ALAA, GLYCEROL, ... | Authors: | Penya-Soler, E, Fernandez, F.J, Lopez-Estepa, M, Garces, F, Richardson, A.J, Rudd, K.E, Coll, M, Vega, M.C. | Deposit date: | 2014-03-28 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural analysis and mutant growth properties reveal distinctive enzymatic and cellular roles for the three major L-alanine transaminases of Escherichia coli. PLoS ONE, 9, 2014
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6O35
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4CIF
| Interrogating HIV integrase for compounds that bind- a SAMPL challenge | Descriptor: | 2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]benzoic acid, ACETATE ION, 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 (1.8 Å) | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
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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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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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3KDU
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6CYR
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3KMG
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4CGF
| Interrogating HIV integrase for compounds that bind- a SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 5-{[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, ... | Authors: | Peat, T.S. | Deposit date: | 2013-11-23 | Release date: | 2013-12-04 | 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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6NJW
| C-terminal region of the Xanthomonas campestris pv. campestris OLD protein phased with platinum | Descriptor: | IODIDE ION, MAGNESIUM ION, PLATINUM (II) ION, ... | Authors: | Schiltz, C.J, Lee, A, Partlow, E.A, Hosford, C.J, Chappie, J.S. | Deposit date: | 2019-01-04 | Release date: | 2019-08-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural characterization of Class 2 OLD family nucleases supports a two-metal catalysis mechanism for cleavage. Nucleic Acids Res., 47, 2019
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6NLT
| Apo structure of the T130K mutant of ANT-4 | Descriptor: | CALCIUM ION, Kanamycin nucleotidyltransferase | Authors: | Selvaraj, B, Cuneo, M.J. | Deposit date: | 2019-01-09 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Catch and release: A novel variation of the archetypal nucleotidyl transfer reaction To be published
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3KDT
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8Q1N
| Cyclic peptide binder of the WBM-site of WDR5 | Descriptor: | Cyclic peptide inhibitor, WD repeat-containing protein 5 | Authors: | Schmeing, S, Chang, J.Y, t Hart, P, Gasper, R. | Deposit date: | 2023-08-01 | Release date: | 2023-09-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.843 Å) | Cite: | Macrocyclic peptides as inhibitors of WDR5-lncRNA interactions. Chem.Commun.(Camb.), 59, 2023
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6NPW
| SSu72/Sympk in complex with Ser2/Ser5 phosphorylated peptide | Descriptor: | PHOSPHATE ION, Ser2/Ser5 phosphorylated peptide, Ssu72 ortholog, ... | Authors: | Irani, S, Zhang, Y. | Deposit date: | 2019-01-18 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.486 Å) | Cite: | Structural determinants for accurate dephosphorylation of RNA polymerase II by its cognate C-terminal domain (CTD) phosphatase during eukaryotic transcription. J.Biol.Chem., 294, 2019
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4CGJ
| Interrogating HIV integrase for compounds that bind- a SAMPL challenge | Descriptor: | 5-[[(1S,2S)-2-(6-azanylhexanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, INTEGRASE, ... | Authors: | Peat, T.S. | Deposit date: | 2013-11-25 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
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3KWY
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4CHQ
| Interrogating HIV integrase for compounds that bind- a SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, ... | Authors: | Peat, T.S. | Deposit date: | 2013-12-04 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
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6NT2
| type 1 PRMT in complex with the inhibitor GSK3368715 | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine, ... | Authors: | Concha, N.O. | Deposit date: | 2019-01-28 | Release date: | 2019-07-10 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Anti-tumor Activity of the Type I PRMT Inhibitor, GSK3368715, Synergizes with PRMT5 Inhibition through MTAP Loss. Cancer Cell, 36, 2019
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4CJP
| Interrogating HIV integrase for compounds that bind- a SAMPL challenge | Descriptor: | 5-[(2S)-4-methyl-2-[(pyridin-3-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid, CHLORIDE ION, INTEGRASE, ... | Authors: | Peat, T.S. | Deposit date: | 2013-12-22 | Release date: | 2014-01-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
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4CK2
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6NWL
| Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with hydrocortisone and PGC1a coregulator fragment | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Liu, X, Ortlund, E.A. | Deposit date: | 2019-02-06 | Release date: | 2019-10-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.595 Å) | Cite: | First High-Resolution Crystal Structures of the Glucocorticoid Receptor Ligand-Binding Domain-Peroxisome Proliferator-ActivatedgammaCoactivator 1-alphaComplex with Endogenous and Synthetic Glucocorticoids. Mol.Pharmacol., 96, 2019
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2DMP
| Solution structure of the third homeobox domain of Zinc fingers and homeoboxes protein 2 | Descriptor: | Zinc fingers and homeoboxes protein 2 | Authors: | Ohnishi, S, Sasagawa, A, Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-04-24 | Release date: | 2006-10-24 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the third homeobox domain of Zinc fingers and homeoboxes protein 2 To be Published
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6AC6
| Ab initio crystal structure of Selenomethionine labelled Mycobacterium smegmatis Mfd | Descriptor: | Mycobacterium smegmatis Mfd, SULFATE ION | Authors: | Putta, S, Fox, G.C, Walsh, M.A, Rao, D.N, Nagaraja, V, Natesh, R. | Deposit date: | 2018-07-25 | Release date: | 2019-08-28 | Method: | X-RAY DIFFRACTION (2.989 Å) | Cite: | Structural basis for nucleotide-mediated remodelling mechanism of Mycobacterium Mfd To Be Published
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6NJV
| C-terminal region of the Xanthomonas campestris pv. campestris OLD protein phased with iodine | Descriptor: | IODIDE ION, MAGNESIUM ION, Xcc_CTR_I | Authors: | Schiltz, C.J, Lee, A, Partlow, E.A, Hosford, C.J, Chappie, J.S. | Deposit date: | 2019-01-04 | Release date: | 2019-08-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural characterization of Class 2 OLD family nucleases supports a two-metal catalysis mechanism for cleavage. Nucleic Acids Res., 47, 2019
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