6PGA
 
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8PJX
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7OWC
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8PJT
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6POX
 | | Structure of human endothelialnitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-ethoxyphenyl)-4-methylquinolin-2-amine | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine, ... | | 著者 | Chreifi, G, Li, H, Poulos, T.L. | | 登録日 | 2019-07-05 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.197 Å) | | 主引用文献 | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
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6VMV
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8PKB
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6PP9
 | | Crystal structure of BRAF:MEK1 complex | | 分子名称: | 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J. | | 登録日 | 2019-07-05 | | 公開日 | 2019-10-09 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Nature, 575, 2019
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5CMT
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6VM5
 | | Structure of Moraxella osloensis Cap4 SAVED/CARF-domain containing receptor | | 分子名称: | MAGNESIUM ION, SAVED domain-containing protein | | 著者 | Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J. | | 登録日 | 2020-01-27 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection.
Cell, 182, 2020
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7TTO
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8PGF
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2941 | | 分子名称: | 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]carbonylamino]ethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-18 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2941
To Be Published
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6VO2
 | | Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg, NADPH and inhibitor. | | 分子名称: | 3-(methylsulfonyl)-2-oxopropanoic acid, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ... | | 著者 | Bayaraa, T, Patel, K.M, Guddat, L.W. | | 登録日 | 2020-01-29 | | 公開日 | 2020-04-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Discovery, Synthesis and Evaluation of a Ketol-Acid Reductoisomerase Inhibitor.
Chemistry, 26, 2020
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8PNX
 | | Crystal structure of D-amino acid aminotransferase from Blastococcus saxobsidens in PMP form | | 分子名称: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Branched-chain amino acid aminotransferase/4-amino-4-deoxychorismate lyase, ... | | 著者 | Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Popov, V.O. | | 登録日 | 2023-07-03 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural determinants of dual substrate recognition in the transaminase from Blastococcus saxobsidens specific to D-amino acids and R-amines
To Be Published
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7ORV
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239 | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | 登録日 | 2021-06-06 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
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8PGL
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3027 | | 分子名称: | 7-[(1~{S})-1-[5-(carbamimidamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-18 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 3027
To Be Published
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7TTB
 | | P450 (OxyA) from kistamicin biosynthesis, Y99F mutant | | 分子名称: | GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase | | 著者 | Greule, A, Izore, T, Cryle, M.J. | | 登録日 | 2022-02-01 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.801592 Å) | | 主引用文献 | The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage.
Front Chem, 10, 2022
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6N0A
 | | Structure of the major pilin protein (T-18.1) from Streptococcus pyogenes serotype MGAS8232 | | 分子名称: | CALCIUM ION, Major pilin backbone protein T-antigen | | 著者 | Young, P.G, Raynes, J.M, Loh, J.M, Proft, T, Baker, E.N, Moreland, N.J. | | 登録日 | 2018-11-06 | | 公開日 | 2019-04-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Group AStreptococcusT Antigens Have a Highly Conserved Structure Concealed under a Heterogeneous Surface That Has Implications for Vaccine Design.
Infect.Immun., 87, 2019
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6VMK
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8Q2B
 | | E. coli Adenylate Kinase variant D158A (AK D158A) showing significant changes to the stacking of catalytic arginine side chains | | 分子名称: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ... | | 著者 | Sauer, U.H, Wolf-Watz, M, Nam, K. | | 登録日 | 2023-08-01 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Elucidating Dynamics of Adenylate Kinase from Enzyme Opening to Ligand Release.
J.Chem.Inf.Model., 64, 2024
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6BDG
 | | HFQ monomer in spacegroup p6 at 1.93 angstrom resolution | | 分子名称: | RNA-binding protein Hfq | | 著者 | Brown, C, Zhang, K, Seo, C, Ellis, M.J, Hanniford, D.B, Junop, M. | | 登録日 | 2017-10-23 | | 公開日 | 2017-11-01 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.964 Å) | | 主引用文献 | HFQ monomer in spacegroup p6 at 1.93 angstrom resolution
To Be Published
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7TZ7
 | | PI3K alpha in complex with an inhibitor | | 分子名称: | (4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one, Isoform 3 of Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Knapp, M.S, Tang, J. | | 登録日 | 2022-02-15 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
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7OML
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7ORR
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00022 | | 分子名称: | 4-PHENYL-1H-IMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | 登録日 | 2021-06-06 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
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8PWE
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