PDB: 377 件ウェブページステータス検索Chemie searchBIRD

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6YE1	Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A894 (compound 2n in publication) in the closed form (crystal form IV) 分子名称: 5'-nucleotidase, ZINC ION, [(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid 著者 Scaletti, E, Strater, N. 登録日 2020-03-23 公開日 2021-01-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.66 Å) 主引用文献 Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors. J.Med.Chem., 64, 2021
7K36	Cryo-EM structure of STRIPAK complex 分子名称: INOSITOL HEXAKISPHOSPHATE, MANGANESE (II) ION, MOB-like protein phocein, ... 著者 Jeong, B.-C, Bai, X.C. 登録日 2020-09-10 公開日 2021-03-10 最終更新日 2024-03-06 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 Cryo-EM structure of the Hippo signaling integrator human STRIPAK. Nat.Struct.Mol.Biol., 28, 2021
7DOG	Crystal structure of a nuclease and capping domain of SbcD from Staphylococcus aureus 分子名称: MANGANESE (II) ION, Nuclease SbcCD subunit D 著者 Lee, J, Ha, N.-C. 登録日 2020-12-14 公開日 2021-05-05 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.91 Å) 主引用文献 Crystal structure of the nuclease and capping domain of SbcD from Staphylococcus aureus. J.Microbiol, 59, 2021
7OBE	X-ray structure of the phosphatase PAPP5 from Arabidopsis thaliana 分子名称: CHLORIDE ION, Isoform 2 of Serine/threonine-protein phosphatase 5, MANGANESE (II) ION 著者 von Horsten, S, Essen, L.-O. 登録日 2021-04-22 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Conformational Change of Tetratricopeptide Repeats Region Triggers Activation of Phytochrome-Associated Protein Phosphatase 5. Front Plant Sci, 12, 2021
7D0V	Crystal structure of Taiwan cobra 5'-nucleotidase 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Snake venom 5'-nucleotidase, ... 著者 Tsai, M.-H, Lin, I.-J, Lin, C.-C, Wu, W.-G. 登録日 2020-09-12 公開日 2021-09-15 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.175 Å) 主引用文献 Crystal structure of Taiwan cobra 5'-nucleotidase To Be Published
7NZM	Cryo-EM structure of pre-dephosphorylation complex of phosphorylated eIF2alpha with trapped holophosphatase (PP1A_D64A/PPP1R15A/G-actin/DNase I) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... 著者 Yan, Y, Hardwick, S, Ron, D. 登録日 2021-03-24 公開日 2021-09-29 最終更新日 2021-10-20 実験手法 ELECTRON MICROSCOPY (3.96 Å) 主引用文献 Higher-order phosphatase-substrate contacts terminate the integrated stress response. Nat.Struct.Mol.Biol., 28, 2021
7P9T	Crystal structure of CD73 in complex with dCMP in the open form 分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 5'-nucleotidase, CALCIUM ION, ... 著者 Scaletti, E.R, Strater, N. 登録日 2021-07-27 公開日 2021-10-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.79 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
7PB5	Crystal structure of CD73 in complex with UMP in the open form 分子名称: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ... 著者 Scaletti, E.R, Strater, N. 登録日 2021-07-30 公開日 2021-10-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.28 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
7PBA	Crystal structure of CD73 in complex with IMP in the open form 分子名称: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ... 著者 Scaletti, E.R, Strater, N. 登録日 2021-08-01 公開日 2021-10-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.42 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
7PA4	Crystal structure of CD73 in complex with CMP in the open form 分子名称: 5'-nucleotidase, CALCIUM ION, CHLORIDE ION, ... 著者 Scaletti, E.R, Strater, N. 登録日 2021-07-28 公開日 2021-10-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.45 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
7PBB	Crystal structure of CD73 in complex with caffeine in the open form 分子名称: 5'-nucleotidase, CAFFEINE, CALCIUM ION, ... 著者 Scaletti, E.R, Strater, N. 登録日 2021-08-01 公開日 2021-10-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.47 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
7P9N	Crystal structure of CD73 in complex with AMP in the open form 分子名称: 5'-nucleotidase, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ... 著者 Scaletti, E.R, Strater, N. 登録日 2021-07-27 公開日 2021-10-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.55 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
7P9R	Crystal structure of CD73 in complex with GMP in the open form 分子名称: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ... 著者 Scaletti, E.R, Strater, N. 登録日 2021-07-27 公開日 2021-10-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.41 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
7PD9	Crystal structure of CD73 in complex with riboflavin in the open form 分子名称: 5'-nucleotidase, CALCIUM ION, DIMETHYL SULFOXIDE, ... 著者 Scaletti, E.R, Strater, N. 登録日 2021-08-04 公開日 2021-10-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.39 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
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
7PBY	Crystal structure of CD73 in complex with 4-nitrocatechol in the open form 分子名称: 4-NITROCATECHOL, 5'-nucleotidase, CALCIUM ION, ... 著者 Scaletti, E.R, Strater, N. 登録日 2021-08-02 公開日 2021-10-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.13 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
7PKS	Structural basis of Integrator-mediated transcription regulation 分子名称: DNA Template, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ... 著者 Fianu, I, Chen, Y, Dienemann, C, Cramer, P. 登録日 2021-08-26 公開日 2021-12-08 実験手法 ELECTRON MICROSCOPY (3.6 Å) 主引用文献 Structural basis of Integrator-mediated transcription regulation. Science, 374, 2021
7BBJ	CD73 in complex with the humanized antagonistic antibody mAb19 分子名称: 5'-nucleotidase, MAGNESIUM ION, ZINC ION, ... 著者 Boettcher, J, Han, F. 登録日 2020-12-17 公開日 2021-12-29 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.72 Å) 主引用文献 A Novel Antagonistic CD73 Antibody for Inhibition of the Immunosuppressive Adenosine Pathway. Mol.Cancer Ther., 20, 2021
7OV3	Crystal structure of pig purple acid phosphatase in complex with Maybridge fragment CC063346, dimethyl sulfoxide and citrate 分子名称: 1,2-ETHANEDIOL, 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 Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G. 登録日 2021-06-14 公開日 2022-01-12 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach. Chemmedchem, 16, 2021
7OV2	Crystal structure of pig purple acid phosphatase in complex with L-glutamine, (poly)ethylene glycol fragments and glycerol 分子名称: 1,2-ETHANEDIOL, CITRIC ACID, FE (III) ION, ... 著者 Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G. 登録日 2021-06-14 公開日 2022-01-12 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach. Chemmedchem, 16, 2021
7QGM	Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the closed state (crystal form III) 分子名称: 5'-nucleotidase, CALCIUM ION, ZINC ION, ... 著者 Strater, N. 登録日 2021-12-08 公開日 2022-02-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors. J.Med.Chem., 65, 2022
7QGL	Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the open state 分子名称: 5'-nucleotidase, CALCIUM ION, PENTAETHYLENE GLYCOL, ... 著者 Strater, N. 登録日 2021-12-08 公開日 2022-02-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors. J.Med.Chem., 65, 2022
7QGA	Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the open state 分子名称: 5'-nucleotidase, CALCIUM ION, TETRAETHYLENE GLYCOL, ... 著者 Strater, N. 登録日 2021-12-07 公開日 2022-02-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors. J.Med.Chem., 65, 2022
7QGO	Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III) 分子名称: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid 著者 Strater, N. 登録日 2021-12-09 公開日 2022-02-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.206 Å) 主引用文献 Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors. J.Med.Chem., 65, 2022
7OV8	Crystal structure of pig purple acid phosphatase in complex with 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) and glycerol 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G. 登録日 2021-06-14 公開日 2022-03-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach. Chemmedchem, 16, 2021

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