5G4B
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7S3U
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![BU of 7s3u by Molmil](/molmil-images/mine/7s3u) | Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-amino-3,6-dideoxy-D-glucose | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ... | Authors: | Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M. | Deposit date: | 2021-09-08 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum. Protein Sci., 30, 2021
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7S45
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![BU of 7s45 by Molmil](/molmil-images/mine/7s45) | Crystal structure of an N-acetyltransferase, C80T mutant, from Helicobacter pullorum in the presence of Acetyl Coenzyme A and dTDP | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ACETYL COENZYME *A, ... | Authors: | Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M. | Deposit date: | 2021-09-08 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum. Protein Sci., 30, 2021
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7S43
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![BU of 7s43 by Molmil](/molmil-images/mine/7s43) | Crystal structure of an N-acetyltransferase, C80T mutant, from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-amino-3,6-dideoxy-D-glucose | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ... | Authors: | Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M. | Deposit date: | 2021-09-08 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum. Protein Sci., 30, 2021
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7S44
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![BU of 7s44 by Molmil](/molmil-images/mine/7s44) | Crystal structure of an N-acetyltransferase, C80T mutant, from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-amino-3,6-dideoxy-D-galactose | Descriptor: | (3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate, 1,2-ETHANEDIOL, N-acetyltransferase, ... | Authors: | Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M. | Deposit date: | 2021-09-08 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum. Protein Sci., 30, 2021
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7S6O
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![BU of 7s6o by Molmil](/molmil-images/mine/7s6o) | The crystal structure of Lys48-linked di-ubiquitin | Descriptor: | ACETATE ION, Ubiquitin | Authors: | Osipiuk, J, Tesar, C, Lanham, B.T, Wydorski, P, Fushman, D, Joachimiak, L, Joachimiak, A. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin. Nat Commun, 14, 2023
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5G26
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![BU of 5g26 by Molmil](/molmil-images/mine/5g26) | Unveiling the Mechanism Behind the in-meso Crystallization of Membrane Proteins | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, INTIMIN | Authors: | Zabara, A, Newman, J, Peat, T.S. | Deposit date: | 2016-04-07 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | The Nanoscience Behind the Art of in-Meso Crystallization of Membrane Proteins. Nanoscale, 9, 2017
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7S41
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![BU of 7s41 by Molmil](/molmil-images/mine/7s41) | Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-acetamido-3,6-dideoxy-D-glucose | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ... | Authors: | Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M. | Deposit date: | 2021-09-08 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum. Protein Sci., 30, 2021
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7S6P
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![BU of 7s6p by Molmil](/molmil-images/mine/7s6p) | The crystal structure of human ISG15 | Descriptor: | Ubiquitin-like protein ISG15 | Authors: | Osipiuk, J, Tesar, C, Jedrzejczak, R, Endres, M, Wydorski, P, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin. Nat Commun, 14, 2023
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1ALN
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![BU of 1aln by Molmil](/molmil-images/mine/1aln) | |
5G35
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![BU of 5g35 by Molmil](/molmil-images/mine/5g35) | Structure of Rad14 in complex with acetylaminopyren-C8-guanine containing DNA | Descriptor: | 5'-D(*GP*CP*TP*CP*TP*AP*8PYP*TP*CP*AP*TP*CP*AP*CP)-3', 5'-D(*GP*TP*GP*AP*TP*GP*AP*CP*GP*TP*AP*GP*AP*GP)-3', RAD14, ... | Authors: | Simon, N, Ebert, C, Schneider, S. | Deposit date: | 2016-04-18 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Bulky Adduct DNA Lesion Recognition by the Nucleotide Excision Repair Protein Rad14. Chemistry, 22, 2016
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7S49
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![BU of 7s49 by Molmil](/molmil-images/mine/7s49) | Crystal Structure of Inhibitor-bound Galactokinase | Descriptor: | (4R)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1H-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one, Galactokinase, PHOSPHATE ION, ... | Authors: | Whitby, F.G. | Deposit date: | 2021-09-08 | Release date: | 2021-09-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors. J.Med.Chem., 64, 2021
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7S42
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![BU of 7s42 by Molmil](/molmil-images/mine/7s42) | Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-acetamido-3,6-dideoxy-D-galactose | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ... | Authors: | Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M. | Deposit date: | 2021-09-08 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum. Protein Sci., 30, 2021
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6ELP
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5G3Z
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![BU of 5g3z by Molmil](/molmil-images/mine/5g3z) | Crystal structure of adenylate kinase ancestor 3 with Zn, Mg and Ap5A bound | Descriptor: | ADENYLATE KINSE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | Authors: | Nguyen, V, Kutter, S, English, J, Kern, D. | Deposit date: | 2016-05-03 | Release date: | 2016-12-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Evolutionary drivers of thermoadaptation in enzyme catalysis. Science, 355, 2017
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6E53
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![BU of 6e53 by Molmil](/molmil-images/mine/6e53) | Structure of TERT in complex with a novel telomerase inhibitor | Descriptor: | MAGNESIUM ION, RNA/DNA hairpin, Telomerase reverse transcriptase, ... | Authors: | Hernandez-Sanchez, W, Huang, W, Plucinsky, B, Garcia-Vazquez, N, Berdis, A.J, Skordalakes, E, Taylor, D.J. | Deposit date: | 2018-07-19 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A non-natural nucleotide uses a specific pocket to selectively inhibit telomerase activity. Plos Biol., 17, 2019
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5G24
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7S4C
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![BU of 7s4c by Molmil](/molmil-images/mine/7s4c) | Crystal Structure of Inhibitor-bound Galactokinase | Descriptor: | 2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid, Galactokinase, PHOSPHATE ION, ... | Authors: | Whitby, F.G. | Deposit date: | 2021-09-08 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors. J.Med.Chem., 64, 2021
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5G3P
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![BU of 5g3p by Molmil](/molmil-images/mine/5g3p) | Bacillus cereus formamidase (BceAmiF) acetylated at the active site. | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gavira, J.A, Conejero-Muriel, M, Martinez-Rodriguez, S. | Deposit date: | 2016-04-29 | Release date: | 2017-04-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A novel cysteine carbamoyl-switch is responsible for the inhibition of formamidase, a nitrilase superfamily member. Arch.Biochem.Biophys., 662, 2019
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7SDR
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![BU of 7sdr by Molmil](/molmil-images/mine/7sdr) | Papain-Like Protease of SARS CoV-2 in Complex with Jun9-72-2 Inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol, CHLORIDE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-09-29 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Papain-Like Protease of SARS CoV-2 in Complex with Jun9-72-2 Inhibitor To be Published
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5G33
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![BU of 5g33 by Molmil](/molmil-images/mine/5g33) | Structure of Rad14 in complex with acetylnaphtyl-guanine containing DNA | Descriptor: | 5'-D(*GP*CP*TP*CP*TP*AP*MFOP*TP*CP*AP*TP*CP*AP*CP)-3', 5'-D(*GP*TP*GP*AP*TP*GP*AP*CP*GP*TP*AP*GP*AP*GP)-3', RAD14, ... | Authors: | Simon, N, Ebert, C, Schneider, S. | Deposit date: | 2016-04-18 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for Bulky Adduct DNA Lesion Recognition by the Nucleotide Excision Repair Protein Rad14. Chemistry, 22, 2016
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5G2N
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![BU of 5g2n by Molmil](/molmil-images/mine/5g2n) | X-ray structure of PI3Kinase Gamma in complex with Copanlisib | Descriptor: | 2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | Authors: | Schaefer, M, Scott, W.J, Hentemann, M.F, Rowley, R.B, Bull, C.O, Jenkins, S, Bullion, A.M, Johnson, J, Redman, A, Robbins, A.H, Esler, W, Fracasso, R.P, Garrison, T, Hamilton, M, Michels, M, Wood, J.E, Wilkie, D.P, Xiao, H, Levy, J, Liu, N, Stasik, E, Brands, M, Lefranc, J. | Deposit date: | 2016-04-11 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Discovery and Sar of Novel 2,3-Dihydroimidazo(1,2-C)Quinazoline Pi3K Inhibitors: Identification of Copanlisib (Bay 80-6946) Chemmedchem, 11, 2016
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6EQU
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![BU of 6equ by Molmil](/molmil-images/mine/6equ) | X-Ray crystal structure of the human carbonic anhydrase II adduct with a membrane-impermeant inhibitor | Descriptor: | 4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Alterio, V, De Simone, G, Esposito, D. | Deposit date: | 2017-10-15 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the human carbonic anhydrase II adduct with 1-(4-sulfamoylphenyl-ethyl)-2,4,6-triphenylpyridinium perchlorate, a membrane-impermeant, isoform selective inhibitor. J Enzyme Inhib Med Chem, 33, 2018
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5G1U
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![BU of 5g1u by Molmil](/molmil-images/mine/5g1u) | Linalool Dehydratase Isomerase in complex with Geraniol | Descriptor: | Geraniol, LINALOOL DEHYDRATASE/ISOMERASE | Authors: | Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G. | Deposit date: | 2016-03-30 | Release date: | 2017-01-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structural and functional insights into asymmetric enzymatic dehydration of alkenols. Nat. Chem. Biol., 13, 2017
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7S14
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![BU of 7s14 by Molmil](/molmil-images/mine/7s14) | Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae 86-028NP | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kim, Y, Maltseva, N, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-08-31 | Release date: | 2021-10-06 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens. Microbiol Spectr, 10, 2022
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