4RNE
 
 | | Structural variations and solvent structure of UGGGGU quadruplexes stabilized by Sr2+ ions | | 分子名称: | CALCIUM ION, RNA (5'-R(*UP*GP*GP*GP*GP*U)-3'), SODIUM ION, ... | | 著者 | Fyfe, A.C, Dunten, P.W, Scott, W.G. | | 登録日 | 2014-10-24 | | 公開日 | 2014-11-19 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | | 主引用文献 | Structural Variations and Solvent Structure of r(UGGGGU) Quadruplexes Stabilized by Sr(2+) Ions.
J.Mol.Biol., 427, 2015
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6G25
 | | X-ray structure of NSD3-PWWP1 in complex with compound 4 | | 分子名称: | 3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole, Histone-lysine N-methyltransferase NSD3 | | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | 登録日 | 2018-03-22 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.432 Å) | | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
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6W5F
 | | Class D beta-lactamase BSU-2 delta mutant | | 分子名称: | 1,2-ETHANEDIOL, BSU-2delta mutant, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | | 登録日 | 2020-03-13 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
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6G2B
 | | X-ray structure of NSD3-PWWP1 in complex with compound 8 | | 分子名称: | 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine, Histone-lysine N-methyltransferase NSD3 | | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | 登録日 | 2018-03-22 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
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6AZV
 | | IDO1/BMS-978587 crystal structure | | 分子名称: | (1R,2S)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid, Indoleamine 2,3-dioxygenase 1 | | 著者 | Lewis, H.A. | | 登録日 | 2017-09-13 | | 公開日 | 2018-03-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.755 Å) | | 主引用文献 | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8ONL
 | | Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense point mutant E113A | | 分子名称: | Aminotransferase class IV, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Matyuta, I.O, Boyko, K.M, Minyaev, M.E, Shilova, S.A, Bezsudnova, E.Y, Popov, V.O. | | 登録日 | 2023-04-03 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | In search for structural targets for engineering d-amino acid transaminase: modulation of pH optimum and substrate specificity.
Biochem.J., 480, 2023
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8ONJ
 | | Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense point mutant R88L | | 分子名称: | Aminotransferase class IV, DI(HYDROXYETHYL)ETHER, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Matyuta, I.O, Boyko, K.M, Minyaev, M.E, Shilova, S.A, Bezsudnova, E.Y, Popov, V.O. | | 登録日 | 2023-04-03 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | In search for structural targets for engineering d-amino acid transaminase: modulation of pH optimum and substrate specificity.
Biochem.J., 480, 2023
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5HBR
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4RRB
 | | N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Thr3AA (snapshot 2) | | 分子名称: | 3'-deoxy-3'-(L-threonylamino)adenosine, Probable threonine--tRNA ligase 2 | | 著者 | Ahmad, S, Muthukumar, S, Yerabham, A.S.K, Kamarthapu, V, Sankaranarayanan, R. | | 登録日 | 2014-11-06 | | 公開日 | 2015-07-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme.
Nat Commun, 6, 2015
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6W8K
 | | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | | 分子名称: | 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein | | 著者 | Zhang, S, Garzan, A, Augelli-Szafran, C.E, Pathak, A.K, Wu, M. | | 登録日 | 2020-03-20 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
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6W8M
 | | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | | 分子名称: | 2-oxo-1,2-dihydroquinazoline-4-carboxylic acid, Nonstructural polyprotein | | 著者 | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | | 登録日 | 2020-03-20 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
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8OWO
 | | SMYD3 in complex with fragment FL01507 | | 分子名称: | 3-oxidanylbenzenecarbonitrile, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | | 著者 | Lund, B.A, Cederfelt, D, Dobritzsch, D. | | 登録日 | 2023-04-28 | | 公開日 | 2023-08-30 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening.
Rsc Med Chem, 15, 2024
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7MXO
 | | CryoEM structure of human NKCC1 | | 分子名称: | CHLORIDE ION, POTASSIUM ION, Solute carrier family 12 member 2 | | 著者 | Moseng, M.A. | | 登録日 | 2021-05-19 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-05-31 | | 実験手法 | ELECTRON MICROSCOPY (3.47 Å) | | 主引用文献 | Inhibition mechanism of NKCC1 involves the carboxyl terminus and long-range conformational coupling.
Sci Adv, 8, 2022
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4RS8
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7N3N
 | | CryoEM structure of human NKCC1 state Fu-I | | 分子名称: | 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, Solute carrier family 12 member 2 | | 著者 | Moseng, M.A. | | 登録日 | 2021-06-01 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-05-31 | | 実験手法 | ELECTRON MICROSCOPY (3.33 Å) | | 主引用文献 | Inhibition mechanism of NKCC1 involves the carboxyl terminus and long-range conformational coupling.
Sci Adv, 8, 2022
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6B3W
 | | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | | 分子名称: | 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | | 著者 | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | | 登録日 | 2017-09-25 | | 公開日 | 2017-12-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
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6VHY
 | | NpsA-ThdA, an artificially fused Adenylation-PCP di-domain NRPS from Klebsiella oxytoca | | 分子名称: | 5'-deoxy-5'-({[(2R)-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine, NpsA Adenylation Domain, Non-ribosomal peptide synthetase fusion protein | | 著者 | Kreitler, D.F, Gulick, A.M. | | 登録日 | 2020-01-10 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
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4Z7X
 | | MdbA protein, a thiol-disulfide oxidoreductase from Actinomyces oris. | | 分子名称: | (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, MdbA | | 著者 | OSIPIUK, J, Reardon-Robinson, M.E, Ton-That, H, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2015-04-08 | | 公開日 | 2015-04-22 | | 最終更新日 | 2019-12-11 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | A Disulfide Bond-forming Machine Is Linked to the Sortase-mediated Pilus Assembly Pathway in the Gram-positive Bacterium Actinomyces oris.
J.Biol.Chem., 290, 2015
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5JTU
 | | Crystal structure of GPb in complex with 8b | | 分子名称: | (1S)-1,5-anhydro-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]-D-glucitol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | | 著者 | Kantsadi, A.L, Stravodimos, G.A, Chatzileontiadou, D.S.M, Leonidas, D.D. | | 登録日 | 2016-05-09 | | 公開日 | 2016-08-24 | | 最終更新日 | 2018-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Synthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase.
Eur.J.Med.Chem., 123, 2016
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7RCB
 | | Crystal Structure of a PMS2 VUS | | 分子名称: | Mismatch repair endonuclease PMS2 | | 著者 | D'Arcy, B.M, Prakash, A. | | 登録日 | 2021-07-07 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | PMS2 variant results in loss of ATPase activity without compromising mismatch repair.
Mol Genet Genomic Med, 10, 2022
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7JXD
 | | Mapping neutralizing and immunodominant sites on the SARS-CoV-2 spike receptor-binding domain by structure-guided high-resolution serology | | 分子名称: | S2A4 antigen-binding (Fab) fragment | | 著者 | Park, Y.J, Tortorici, M.A, Walls, A.C, Czudnochowski, N, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Snell, G, Veesler, D. | | 登録日 | 2020-08-27 | | 公開日 | 2020-10-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Mapping Neutralizing and Immunodominant Sites on the SARS-CoV-2 Spike Receptor-Binding Domain by Structure-Guided High-Resolution Serology.
Cell, 183, 2020
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4Z2H
 | | Serratia marcescens Chitinase B complexed with macrolide inhibitor 29 | | 分子名称: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[N'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate, CHLORIDE ION, Chitinase B, ... | | 著者 | Maita, N, Sugawara, A, Sunazuka, T. | | 登録日 | 2015-03-30 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
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6FPQ
 | | Structure of S. pombe Mmi1 in complex with 7-mer RNA | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, RNA (5'-R(*UP*UP*AP*AP*AP*CP*C)-3'), YTH domain-containing protein mmi1 | | 著者 | Stowell, J.A.W, Hill, C.H, Yu, M, Wagstaff, J.L, McLaughlin, S.H, Freund, S.M.V, Passmore, L.A. | | 登録日 | 2018-02-11 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | A low-complexity region in the YTH domain protein Mmi1 enhances RNA binding.
J. Biol. Chem., 293, 2018
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7AVW
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5JUF
 | | Crystal structure of the apo form of ComR from S. thermophilus. | | 分子名称: | SULFATE ION, Transcriptional regulator | | 著者 | Talagas, A, Fontaine, L, Ledesma, L, Li de la Sierra-Gallay, I, Hols, P, Nessler, S. | | 登録日 | 2016-05-10 | | 公開日 | 2016-10-26 | | 最終更新日 | 2016-12-14 | | 実験手法 | X-RAY DIFFRACTION (1.946 Å) | | 主引用文献 | Structural Insights into Streptococcal Competence Regulation by the Cell-to-Cell Communication System ComRS.
PLoS Pathog., 12, 2016
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