6RU6
 
 | | Crystal structure of Casein Kinase I delta (CK1d) in complex with monophosphorylated p63 PAD1P peptide | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase I isoform delta, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Chaikuad, A, Tuppi, M, Gebel, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Dotsch, V, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-05-27 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | p63 uses a switch-like mechanism to set the threshold for induction of apoptosis.
Nat.Chem.Biol., 16, 2020
|
|
6X7R
 | | E. coli beta-ketoacyl-[acyl carrier protein] synthase III (FabH) in complex with oxa(dethia)-coenzyme A | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Benjamin, A.B, Stunkard, L.M, Ling, J, Nice, J.N, Lohman, J.R. | | Deposit date: | 2020-05-30 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structures of chloramphenicol acetyltransferase III and Escherichia coli beta-keto-acylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(de-thia)CoA
Acta Crystallogr.,Sect.F, 2023
|
|
6RSY
 | |
6RTN
 | | Crystal structure of OXA-10 with VNRX-5133 | | Descriptor: | (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase OXA-10, CHLORIDE ION | | Authors: | Brem, J, Schofield, C. | | Deposit date: | 2019-05-24 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases.
J.Med.Chem., 62, 2019
|
|
7YY1
 | |
6ZOM
 | | Oxidized thioredoxin 1 from the anaerobic bacteria Desulfovibrio vulgaris Hildenborough | | Descriptor: | Thioredoxin | | Authors: | Garcin, E, Bornet, O, Nouailler, M, Pieulle, L, Guerlesquin, F, Sebban-Kreuzer, C. | | Deposit date: | 2020-07-07 | | Release date: | 2021-07-14 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Glutamate optimizes enzymatic activity under high hydrostatic pressure in Desulfovibrio species: effects on the ubiquitous thioredoxin system.
Extremophiles, 25, 2021
|
|
8CJ9
 | | Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]benzamide | | Descriptor: | 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Kopecny, D, Briozzo, P, Morera, S. | | Deposit date: | 2023-02-12 | | Release date: | 2024-02-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
|
|
6ZTC
 | | CRYSTAL STRUCTURE OF PROSTAGLANDIN D2 SYNTHASE IN COMPLEX WITH FRAGMENT 1A AT 1.84A RESOLUTION. | | Descriptor: | 1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one, GLUTATHIONE, GLYCEROL, ... | | Authors: | Somers, D.O. | | Deposit date: | 2020-07-17 | | Release date: | 2021-07-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors.
Bioorg.Med.Chem.Lett., 47, 2021
|
|
6X9I
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ... | | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | | Deposit date: | 2020-06-02 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
|
|
6X9K
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3685032A | | Descriptor: | (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), ... | | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | | Deposit date: | 2020-06-02 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
|
|
6X9J
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830052 | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ... | | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | | Deposit date: | 2020-06-02 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
|
|
8CIH
 | | Structure of FL CINP | | Descriptor: | Cyclin-dependent kinase 2-interacting protein, SODIUM ION | | Authors: | Foglizzo, M, Zeqiraj, E. | | Deposit date: | 2023-02-09 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The SPATA5-SPATA5L1 ATPase complex directs replisome proteostasis to ensure genome integrity.
Cell, 187, 2024
|
|
6ZWT
 | | Crystal structure of DNA-binding domain of OmpR of two-component system of Acinetobacter baumannii | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | | Authors: | Narwal, M, Lucchini, V, Trebosc, V, Gartenmann, S, Pieren, M, Kemmer, C, Kammerer, R.A. | | Deposit date: | 2020-07-28 | | Release date: | 2021-08-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Targeting virulence regulation to disarm Acinetobacter baumannii pathogenesis.
Virulence, 13, 2022
|
|
6VG0
 | | CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC ISOCITRATE DEHYDROGENASE (IDH1) R132H MUTANT IN COMPLEX WITH NADPH and AGI-15056 | | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine | | Authors: | Padyana, A, Jin, L. | | Deposit date: | 2020-01-07 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
|
|
6RV0
 | | human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma); with PMP in the active site | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase | | Authors: | Giardina, G, Cutruzzola, F, Cellini, B, Mirco, D. | | Deposit date: | 2019-05-30 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Cycloserine enantiomers are reversible inhibitors of human alanine:glyoxylate aminotransferase: implications for Primary Hyperoxaluria type 1.
Biochem.J., 476, 2019
|
|
6UVK
 | | OXA-48 bound by inhibitor CDD-97 | | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid, Beta-lactamase, ... | | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T.G. | | Deposit date: | 2019-11-02 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identifying Oxacillinase-48 Carbapenemase Inhibitors Using DNA-Encoded Chemical Libraries.
Acs Infect Dis., 6, 2020
|
|
6UUV
 | |
7Z53
 | |
6RV1
 | | human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase | | Authors: | Giardina, G, Cutruzzola, F, Cellini, B, Mirco, D. | | Deposit date: | 2019-05-30 | | Release date: | 2020-04-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Cycloserine enantiomers are reversible inhibitors of human alanine:glyoxylate aminotransferase: implications for Primary Hyperoxaluria type 1.
Biochem.J., 476, 2019
|
|
8CM1
 | | Lol B - Localization of lipoprotein B from Vibrio cholera | | Descriptor: | Outer-membrane lipoprotein LolB | | Authors: | Jaiman, D, Persson, K. | | Deposit date: | 2023-02-17 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | A comparative analysis of lipoprotein transport proteins: LolA and LolB from Vibrio cholerae and LolA from Porphyromonas gingivalis.
Sci Rep, 13, 2023
|
|
6Y8Q
 | | AbiEi antitoxin from Streptococcus agalactiae | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Abortive phage infection protein | | Authors: | Blower, T.R, Beck, I.N. | | Deposit date: | 2020-03-05 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Antitoxin autoregulation of M. tuberculosis toxin-antitoxin expression through negative cooperativity arising from multiple inverted repeat sequences.
Biochem.J., 477, 2020
|
|
7YWS
 | | Modified oligopeptidase B from S. proteomaculans in intermediate conformation with 3 spermine molecules at 1.7 A resolution | | Descriptor: | Oligopeptidase B, SPERMINE | | Authors: | Petrenko, D.E, Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Mikhailova, A.G, Timofeev, V.I, Rakitina, T.V. | | Deposit date: | 2022-02-14 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Elucidation of the Conformational Transition of Oligopeptidase B by an Integrative Approach Based on the Combination of X-ray, SAXS, and Essential Dynamics Sampling Simulation
Crystals, 12, 2022
|
|
8OWU
 | |
6RU7
 | | Crystal structure of Casein Kinase I delta (CK1d) in complex with double phosphorylated p63 PAD2P peptide | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Casein kinase I isoform delta, ... | | Authors: | Chaikuad, A, Tuppi, M, Gebel, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Dotsch, V, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-05-27 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | p63 uses a switch-like mechanism to set the threshold for induction of apoptosis.
Nat.Chem.Biol., 16, 2020
|
|
7YX7
 | | Modified oligopeptidase B from S. proteomaculans in intermediate conformation with 1 spermine molecule at 1.72 A resolution | | Descriptor: | Oligopeptidase B, SPERMINE | | Authors: | Petrenko, D.E, Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Mikhailova, A.G, Timofeev, V.I, Rakitina, T.V. | | Deposit date: | 2022-02-15 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Elucidation of the Conformational Transition of Oligopeptidase B by an Integrative Approach Based on the Combination of X-ray, SAXS, and Essential Dynamics Sampling Simulation
Crystals, 12, 2022
|
|
