PDB: 31171 件ウェブページステータス検索Chemie searchBIRD

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8AIM	Ugi-2 SAUNG complex 分子名称: Uracil-DNA glycosylase, Uracil-DNA glycosylase inhibitor 著者 Muselmani, W, Savva, R. 登録日 2022-07-26 公開日 2023-06-21 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase. Viruses, 15, 2023
7TSF	Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2022-01-31 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.776 Å) 主引用文献 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
8A9O	Structure of the polyamine acetyltransferase DpA 分子名称: ACETYL COENZYME *A, BROMIDE ION, COENZYME A, ... 著者 Garcia-Pino, A, Jurenas, D. 登録日 2022-06-28 公開日 2023-07-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.587 Å) 主引用文献 A polyamine acetyltransferase regulates the motility and biofilm formation of Acinetobacter baumannii. Nat Commun, 14, 2023
7TSI	Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(3-((methylamino)methyl)phenyl)pyridin-2-amine 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ... 著者 Li, H, Poulos, T.L. 登録日 2022-01-31 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
8AIL	Bacillus phage VMY22 p56 in complex with Bacillus weidmannii Ung 分子名称: Bacillus phage VMY22 p56, GLYCEROL, IODIDE ION, ... 著者 Muselmani, W, Bagneris, C, Savva, R. 登録日 2022-07-26 公開日 2023-06-21 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase. Viruses, 15, 2023
7TSN	Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, ... 著者 Li, H, Poulos, T.L. 登録日 2022-01-31 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
6DR5	X-ray crystallographic structure of a covalent trimer derived from A-beta 17_36 containing the I31Chg point mutation 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ORT-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORT-ALA-CHG-ILE-GLY-LEU-ORA-VAL 著者 Salveson, P.J, Nowick, J.S. 登録日 2018-06-11 公開日 2018-10-17 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.079 Å) 主引用文献 Repurposing Triphenylmethane Dyes to Bind to Trimers Derived from A beta. J. Am. Chem. Soc., 140, 2018
6DAT	ETS1 in complex with synthetic SRR mimic 分子名称: Protein C-ets-1, SULFATE ION, serine-rich region (SRR) peptide 著者 Perez-Borrajero, C, Okon, M, Lin, C.S, Scheu, K, Murphy, M.E.P, Graves, B.J, McIntosh, L.P. 登録日 2018-05-02 公開日 2019-01-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.35002637 Å) 主引用文献 The Biophysical Basis for Phosphorylation-Enhanced DNA-Binding Autoinhibition of the ETS1 Transcription Factor. J. Mol. Biol., 431, 2019
8A9N	Structure of DpA polyamine acetyltransferase in complex with 1,3-DAP 分子名称: 1,3-DIAMINOPROPANE, Acetyltransferase, COENZYME A, ... 著者 Garcia-Pino, A, Jurenas, D. 登録日 2022-06-28 公開日 2023-07-12 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.854 Å) 主引用文献 A polyamine acetyltransferase regulates the motility and biofilm formation of Acinetobacter baumannii. Nat Commun, 14, 2023
8AA7	Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme coordinated fragment 分子名称: 2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Cytochrome P450 protein, PROTOPORPHYRIN IX CONTAINING FE 著者 Snee, M, Katariya, M, Levy, C, Leys, D. 登録日 2022-06-30 公開日 2023-07-12 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme coordinated fragment To Be Published
8UTL	Bovine trypsin in complex with Thr3Dap mutated microviridin J 分子名称: CALCIUM ION, Cationic trypsin, GLYCEROL, ... 著者 Chen, W, Bruner, S.D. 登録日 2023-10-31 公開日 2024-02-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Alternative Linkage Chemistries in the Chemoenzymatic Synthesis of Microviridin-Based Cyclic Peptides. Org.Lett., 26, 2024
8ABO	Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a fragment 分子名称: 4-PHENYL-1H-IMIDAZOLE, CYPX, NITRATE ION, ... 著者 Snee, M, Katariya, M, Levy, C. 登録日 2022-07-04 公開日 2023-07-12 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a fragment To Be Published
8ABS	Crystal structure of CYP109A2 from Bacillus megaterium bound with testosterone and putative ligand 4,6-dimethyloctanoic acid 分子名称: (4~{S},6~{S})-4,6-dimethyloctanoic acid, Cytochrome P450, HEME B/C, ... 著者 Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H. 登録日 2022-07-04 公開日 2023-07-12 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling. Febs J., 290, 2023
6KAL	Crystal structure of FKRP in complex with Mg ion and CMP 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTIDINE-5'-MONOPHOSPHATE, Fukutin-related protein, ... 著者 Kuwabara, N. 登録日 2019-06-23 公開日 2020-01-15 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal structures of fukutin-related protein (FKRP), a ribitol-phosphate transferase related to muscular dystrophy. Nat Commun, 11, 2020
6KB6	X-ray structure of human PPARalpha ligand binding domain-tetradecylthioacetic acid (TTA) co-crystals obtained by delipidation and cross-seeding 分子名称: 2-tetradecylsulfanylethanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha 著者 Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. 登録日 2019-06-24 公開日 2020-11-11 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.431 Å) 主引用文献 PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
8B1O	Crystal structure of SUDV VP40 C314S mutant 分子名称: Matrix protein VP40 著者 Werner, A.-D, Becker, S. 登録日 2022-09-11 公開日 2023-06-21 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications. Structure, 31, 2023
8ATZ	Crystal structure of PPAR gamma (PPARG) in complex with SA112 (compound 2). 分子名称: 2-[4-chloranyl-6-[[3-(2-phenylethoxy)phenyl]amino]pyrimidin-2-yl]sulfanylethanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma 著者 Chaikuad, A, Arifi, S, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2022-08-24 公開日 2023-07-12 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation. J.Am.Chem.Soc., 145, 2023
6DP1	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 5 mM Mg2+ and 75 mM K+ for 40 s at 21 C 分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ... 著者 Samara, N.L, Yang, W. 登録日 2018-06-09 公開日 2018-08-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
8AA8	30S ribosomal protein S24e from Thermococcus barophilus 分子名称: 30S ribosomal protein S24e 著者 Calio, A, Hoh, F. 登録日 2022-06-30 公開日 2023-07-12 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 30S ribosomal protein S24e from Thermococcus barophilus at 1.7A To Be Published
8AVI	Crystal structure of IsdG from Bacillus cereus in complex with heme 分子名称: 1,3-PROPANDIOL, 1,4-BUTANEDIOL, Heme-degrading monooxygenase, ... 著者 Andersen, H.K, Hammerstad, M, Hersleth, H.-P. 登録日 2022-08-26 公開日 2023-07-12 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Functional Diversity of Homologous Oxidoreductases-Tuning of Substrate Specificity by a FAD-Stacking Residue for Iron Acquisition and Flavodoxin Reduction. Antioxidants, 12, 2023
6DPF	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 40 mM Mn2+ and 200 mM K+ for 40 s at 21 C 分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... 著者 Samara, N.L, Yang, W. 登録日 2018-06-09 公開日 2018-08-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
8VGZ	Influenza PA-N Endonuclease E23K Mutant (amino acids 52-74 truncation) 分子名称: MANGANESE (II) ION, Protein PA-X 著者 Kohlbrand, A.J, Cohen, S.M. 登録日 2023-12-30 公開日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants. Biochemistry, 63, 2024
8ABR	Crystal structure of CYP109A2 from Bacillus megaterium bound with putative ligands hexanoic acid and octanoic acid 分子名称: Cytochrome P450, HEME B/C, HEXANOIC ACID, ... 著者 Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H. 登録日 2022-07-04 公開日 2023-07-12 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling. Febs J., 290, 2023
8ACK	Structure of Pseudomonas aeruginosa aminopeptidase, PaAP 分子名称: CACODYLATE ION, Keratinase KP1, PCP, ... 著者 Harding, C.J, Czekster, C.M. 登録日 2022-07-05 公開日 2023-07-12 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.784 Å) 主引用文献 An anti-biofilm cyclic peptide targets a secreted aminopeptidase from P. aeruginosa. Nat.Chem.Biol., 19, 2023
8UW4	Crystal structure of hydroxyisourate hydrolase from Herbaspirillum seropedicae 分子名称: 5-hydroxyisourate hydrolase 著者 Magalhaes, M.T.Q, Pereira, H.M, Bleicher, L. 登録日 2023-11-06 公開日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Crystal structure of hydroxyisourate hydrolase from Herbaspirillum seropedicae To Be Published

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