6VIM
 
 | | P. putida mandelate racemase co-crystallized with phenylboronic acid | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, Mandelate racemase, ... | | 著者 | Grandinetti, L, Sharma, A.N, Bearne, S.L, St Maurice, M. | | 登録日 | 2020-01-13 | | 公開日 | 2020-08-05 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Potent Inhibition of Mandelate Racemase by Boronic Acids: Boron as a Mimic of a Carbon Acid Center.
Biochemistry, 59, 2020
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8QV4
 | | Hexameric HIV-1 CA in complex with DDD01728503 | | 分子名称: | 1,2-ETHANEDIOL, Spacer peptide 1, ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate | | 著者 | Petit, A.P, Fyfe, P.K. | | 登録日 | 2023-10-17 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
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8QD8
 | | Wdyg1p in complex with 1,3-Dihydroxynaphthalene | | 分子名称: | 1,2-ETHANEDIOL, Yellowish-green 1-like protein, naphthalene-1,3-diol | | 著者 | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | | 登録日 | 2023-08-28 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
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7OPZ
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7OPY
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6PVB
 | | The structure of NTMT1 in complex with compound 6 | | 分子名称: | AMINO GROUP-()-(2~{S})-2-azanylpropanal-()-ISOLEUCINE-()-ARGININE-()-LYSINE-()-PROLINE-()-AMINO-ACETALDEHYDE-()-9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine, N-terminal Xaa-Pro-Lys N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Noinaj, N, Chen, D, Huang, R. | | 登録日 | 2019-07-20 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Probing the Plasticity in the Active Site of Protein N-terminal Methyltransferase 1 Using Bisubstrate Analogues.
J.Med.Chem., 63, 2020
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8H43
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4UZ8
 | | The SeMet structure of the family 46 carbohydrate-binding module (CBM46) of endo-beta-1,4-glucanase B (Cel5B) from Bacillus halodurans | | 分子名称: | ENDO-BETA-1,4-GLUCANASE (CELULASE B), SULFATE ION | | 著者 | Venditto, I, Santos, H, Ferreira, L.M.A, Sakka, K, Fontes, C.M.G.A, Najmudin, S. | | 登録日 | 2014-09-04 | | 公開日 | 2015-02-25 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Family 46 Carbohydrate-Binding Modules Contribute to the Enzymatic Hydrolysis of Xyloglucan and Beta-1,3-1,4-Glucans Through Distinct Mechanisms.
J.Biol.Chem., 290, 2015
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4WIV
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a novel inhibitor UMB32 (N-TERT-BUTYL-2-[4-(3,5-DIMETHYL-1,2-OXAZOL-4-YL) PHENYL]IMIDAZO[1,2-A]PYRAZIN-3-AMINE) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | | 著者 | Xu, X, Blacklow, S. | | 登録日 | 2014-09-26 | | 公開日 | 2014-10-29 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Biased multicomponent reactions to develop novel bromodomain inhibitors.
J.Med.Chem., 57, 2014
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6ND2
 | | Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3R)-3-[2-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1063) | | 分子名称: | 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, GLYCEROL, ... | | 著者 | Reeve, S.M, Wright, D.L. | | 登録日 | 2018-12-13 | | 公開日 | 2019-09-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.243 Å) | | 主引用文献 | Structure-Guided In Vitro to In Vivo Pharmacokinetic Optimization of Propargyl-Linked Antifolates.
Drug Metab.Dispos., 47, 2019
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6W0Z
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6Y9S
 | | Crystal structure of GSK-3b in complex with the imidazo[1,5-a]pyridine-3-carboxamide inhibitor 16 | | 分子名称: | ACETATE ION, Glycogen synthase kinase-3 beta, ~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide | | 著者 | Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R. | | 登録日 | 2020-03-10 | | 公開日 | 2020-05-20 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches.
Molecules, 25, 2020
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6NIL
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8EM9
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6NM8
 | | IgV-V76T BMS compound 105 | | 分子名称: | N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine, Programmed cell death 1 ligand 1 | | 著者 | Perry, E, Zhao, B, Fesik, S. | | 登録日 | 2019-01-10 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.792 Å) | | 主引用文献 | Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
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7OCS
 | | Mannitol-1-phosphate bound to the phosphatase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD-D16A from Acinetobacter baumannii | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | | 著者 | Tam, H.K, Mueller, V, Pos, K.M. | | 登録日 | 2021-04-28 | | 公開日 | 2022-04-27 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8EKU
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8EKJ
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6W3N
 | | APE1 exonuclease substrate complex D148E | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(C7R))-3'), ... | | 著者 | Freudenthal, B.D, Whitaker, A.M. | | 登録日 | 2020-03-09 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
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7YW3
 | | Crystal structure of tRNA 2'-phosphotransferase from Homo sapiens | | 分子名称: | 1,2-ETHANEDIOL, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate, tRNA 2'-phosphotransferase 1 | | 著者 | Yang, X.Y, Liu, X.H. | | 登録日 | 2022-08-21 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation.
Nucleic Acids Res., 51, 2023
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5MLL
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6Q1V
 | | Human DNA Ligase 1 (E592R) Bound to an Adenylated, hydroxyl terminated DNA nick | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ADENOSINE MONOPHOSPHATE, ... | | 著者 | Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A. | | 登録日 | 2019-08-06 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Two-tiered enforcement of high-fidelity DNA ligation.
Nat Commun, 10, 2019
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6W0X
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8JW4
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8JWI
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