PDB: 30867 件ウェブページステータス検索Chemie searchBIRD

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6AYR	Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with butylthio-DADMe-Immucillin-A 分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase 著者 Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. 登録日 2017-09-08 公開日 2018-09-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase. ACS Chem. Biol., 13, 2018
7PPS	apo FabB from Pseudomonas aeruginosa with single point mutation C161A 分子名称: 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 1, CHLORIDE ION, ... 著者 Georgiou, C, Brenk, R, Yadrykhinsky, V. 登録日 2021-09-15 公開日 2021-10-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Crystal structure of Pseudomonas aeruginosa FabB C161A, a template for structure-based design for new antibiotics. F1000Res, 10, 2021
6EKE	crystal structure of a Pholiota squarrosa lectin unliganded 分子名称: 1,4-BUTANEDIOL, ACETATE ION, ZINC ION, ... 著者 Cabanettes, A, Varrot, A. 登録日 2017-09-26 公開日 2018-07-11 最終更新日 2018-08-29 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Recognition of Complex Core-Fucosylated N-Glycans by a Mini Lectin. Angew. Chem. Int. Ed. Engl., 57, 2018
8PJD	Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 94-445 分子名称: ACETATE ION, Protein arginine N-methyltransferase 2, S-ADENOSYL-L-HOMOCYSTEINE, ... 著者 Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J. 登録日 2023-06-23 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 94-445 To Be Published
7K4O	Tannin acyl hydrolase from Aspergillus niger 分子名称: 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Ren, B. 登録日 2020-09-15 公開日 2021-03-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Crystal structure of fungal tannase from Aspergillus niger. Acta Crystallogr D Struct Biol, 77, 2021
6XNW	Crystal structure of V39A mutant of human CEACAM1 分子名称: Carcinoembryonic antigen-related cell adhesion molecule 1, NICKEL (II) ION 著者 Gandhi, A.K, Kim, W.M, Sun, Z.-Y, Huang, Y.H, Bonsor, D, Petsko, G.A, Kuchroo, V, Blumberg, R.S. 登録日 2020-07-04 公開日 2021-03-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis of the dynamic human CEACAM1 monomer-dimer equilibrium. Commun Biol, 4, 2021
8PJR	Crystal structure of the SAKe6AC-LB protein 分子名称: SAKe6AC-LB 著者 Wouters, S.M.L. 登録日 2023-06-23 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Computational design of the SAKe scaffold protein To Be Published
7JT7	Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4 分子名称: 3C-like proteinase, ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate 著者 Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. 登録日 2020-08-17 公開日 2021-03-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors. Nat Commun, 12, 2021
7PCP	Crystal structure of CD73 in complex with 5-iodouracil in the open form 分子名称: 5'-nucleotidase, 5-IODOURACIL, CALCIUM ION, ... 著者 Scaletti, E.R, Strater, N. 登録日 2021-08-03 公開日 2021-10-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.377 Å) 主引用文献 Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives. Purinergic Signal, 17, 2021
8PJY	Crystal structure of the computationally designed SAKe6EEref protein 分子名称: SAKe6EEref 著者 Wouters, S.M.L. 登録日 2023-06-23 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Computational design of the SAKe scaffold proteins To Be Published
5ESG	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73E mutant complexed with itraconazole 分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. 登録日 2015-11-16 公開日 2016-11-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.981 Å) 主引用文献 Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018
7ZGF	Crystal Structure of Amycolatopsis jejuensis Multiple Inositol Polyphosphate Phosphatase, apo-protein 分子名称: Multiple inositol-polyphosphate phosphatase 著者 Acquistapace, I.M, Brearley, C.A, Hemmings, A.M. 登録日 2022-04-03 公開日 2022-05-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Crystal Structure of Amycolatopsis jejuensis Multiple Inositol Polyphosphate Phosphatase, apo-protein To Be Published
7PMU	Crystal structure of native Iripin-8 分子名称: DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, Serpin-8, ... 著者 Polderdijk, S, Kotal, J, Chmelar, J, Huntington, J.A. 登録日 2021-09-02 公開日 2021-10-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Ixodes ricinus Salivary Serpin Iripin-8 Inhibits the Intrinsic Pathway of Coagulation and Complement. Int J Mol Sci, 22, 2021
8PM7	transcription factor BARHL2 bound to TAATC DNA sequence 分子名称: BarH-like 2 homeobox protein, DNA 著者 Morgunova, E, Popov, A, Yin, Y, Taipale, J. 登録日 2023-06-28 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 transcription factor BARHL2 bound to DNA sequences To Be Published
6XO1	Crystal structure of N97A mutant of human CEACAM1 分子名称: Carcinoembryonic antigen-related cell adhesion molecule 1, MALONIC ACID 著者 Gandhi, A.K, Kim, W.M, Sun, Z.-Y, Huang, Y.H, Bonsor, D, Petsko, G.A, Kuchroo, V, Blumberg, R.S. 登録日 2020-07-05 公開日 2021-03-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.758 Å) 主引用文献 Structural basis of the dynamic human CEACAM1 monomer-dimer equilibrium. Commun Biol, 4, 2021
5EJ8	EcMenD-ThDP-Mn2+ complex structure soaked with 2-ketoglutarate for 2 min 分子名称: (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... 著者 Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H. 登録日 2015-11-01 公開日 2016-06-01 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.34 Å) 主引用文献 A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis J.Am.Chem.Soc., 138, 2016
6BA4	Crystal structure of MYST acetyltransferase domain in complex with Acetyl-CoA cofactor 分子名称: ACETYL COENZYME *A, Histone acetyltransferase KAT8, S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate, ... 著者 Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. 登録日 2017-10-12 公開日 2018-08-01 最終更新日 2020-01-08 実験手法 X-RAY DIFFRACTION (1.949 Å) 主引用文献 Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. Nature, 560, 2018
5THQ	Comprehensive Analysis of a Novel Ketoreductase for Pentangular Polyphenol Biosynthesis 分子名称: 3-oxoacyl-ACP reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Valentic, T.R, Tsai, S.C, Brady, S.F. 登録日 2016-09-30 公開日 2016-11-09 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Comprehensive Analysis of a Novel Ketoreductase for Pentangular Polyphenol Biosynthesis. ACS Chem. Biol., 11, 2016
6XBF	Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1G 分子名称: BlaNDM-4_1_JQ348841, ZINC ION, macrocycle inhibitor NDM1i-1G 著者 Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. 登録日 2020-06-05 公開日 2021-03-31 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1. Proc.Natl.Acad.Sci.USA, 118, 2021
8PMC	transcription factor BARHL2 bound to TAATT DNA sequence 分子名称: BarH-like 2 homeobox protein, DNA 著者 Morgunova, E, Popov, A, Yin, Y, Taipale, J. 登録日 2023-06-28 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 transcription factor BARHL2 bound to DNA sequences To Be Published
7ZGH	Crystal Structure of Amycolatopsis jejuensis Multiple Inositol Polyphosphate Phosphatase, complex with myo-inositol hexakissulfate 分子名称: D-MYO-INOSITOL-HEXASULPHATE, GLYCEROL, Multiple inositol-polyphosphate phosphatase 著者 Acquistapace, I.M, Brearley, C.A, Hemmings, A.M. 登録日 2022-04-03 公開日 2022-05-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Crystal Structure of Amycolatopsis jejuensis Multiple Inositol Polyphosphate Phosphatase, complex with myo-inositol hexakissulfate To Be Published
7ZGG	Crystal Structure of Amycolatopsis jejuensis Multiple Inositol Polyphosphate Phosphatase, phosphate-bound 分子名称: GLYCEROL, Multiple inositol-polyphosphate phosphatase, PHOSPHATE ION 著者 Acquistapace, I.M, Brearley, C.A, Hemmings, A.M. 登録日 2022-04-03 公開日 2022-05-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 Crystal Structure of Amycolatopsis jejuensis Multiple Inositol Polyphosphate Phosphatase, apo-protein To Be Published
8PT5	ERK2 covelently bound to RU187 cyclohexenone based inhibitor 分子名称: GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 著者 Sok, P, Poti, A, Remenyi, A. 登録日 2023-07-13 公開日 2024-07-24 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
6XBE	Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1F 分子名称: BlaNDM-4_1_JQ348841, ZINC ION, macrocycle inhibitor NDM1i-1F 著者 Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. 登録日 2020-06-05 公開日 2021-03-31 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1. Proc.Natl.Acad.Sci.USA, 118, 2021
6BAB	The structure of human CamKII with bound inhibitor 分子名称: Calcium/calmodulin-dependent protein kinase type II subunit delta, L(+)-TARTARIC ACID, N-[(2S)-2-(diethylamino)propyl]-2-(3-hydroxyazetidin-1-yl)-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide 著者 Somoza, J.R, Villasenor, A.G. 登録日 2017-10-12 公開日 2017-11-29 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 TBD To Be Published

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