PDB: 30476 件ウェブページステータス検索Chemie searchBIRD

---

7NLU	Crystal structure of Mycobacterium tuberculosis ArgB in complex with 1-(1H-indol-3-yl)ethan-1-one 分子名称: 1-(1~{H}-indol-3-yl)ethanone, Acetylglutamate kinase, SULFATE ION 著者 Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. 登録日 2021-02-22 公開日 2021-06-30 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.235 Å) 主引用文献 A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
5HZX	Crystal structure of zebrafish MTH1 in complex with TH588 分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Narwal, M, Gustafsson, R, Brautigam, L, Pudelko, L, Jemth, A.-S, Gad, H, Karsten, S, Carreras-Puigvert, J, Homan, E, Berndt, C, Berglund, U.W, Helleday, T, Stenmark, P. 登録日 2016-02-03 公開日 2016-02-10 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Hypoxic Signaling and the Cellular Redox Tumor Environment Determine Sensitivity to MTH1 Inhibition. Cancer Res., 76, 2016
7NN7	Crystal structure of Mycobacterium tuberculosis ArgB in complex with dimethyl 5-hydroxyisophthalate. 分子名称: 1,2-ETHANEDIOL, Acetylglutamate kinase, SULFATE ION, ... 著者 Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. 登録日 2021-02-24 公開日 2021-06-30 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.172 Å) 主引用文献 A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
7NNW	Crystal structure of Mycobacterium tuberculosis ArgF in complex with methyl 4-hydroxy-3-iodobenzoate. 分子名称: Ornithine carbamoyltransferase, PHOSPHATE ION, methyl 3-iodanyl-4-oxidanyl-benzoate 著者 Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. 登録日 2021-02-25 公開日 2021-06-30 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
5I3P	DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 27 分子名称: 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, Genome polyprotein, ZINC ION 著者 Noble, C.G. 登録日 2016-02-10 公開日 2016-07-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling Plos Pathog., 12, 2016
5I0T	Thiosulfate bound Cysteine Dioxygenase at pH 6.8 分子名称: Cysteine dioxygenase type 1, FE (III) ION, THIOSULFATE 著者 Kean, K.M, Driggers, C.M, Karplus, P.A. 登録日 2016-02-04 公開日 2016-12-14 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase. J. Mol. Biol., 428, 2016
5I3F	Structure-Function Studies on Role of Hydrophobic Clamping of a Basic Glutamate in Catalysis by Triosephosphate Isomerase 分子名称: Triosephosphate isomerase, glycosomal 著者 Drake, E.J, Gulick, A.M, Richard, J.P, Zhai, X, Kim, K, Reinhardt, C.J. 登録日 2016-02-10 公開日 2016-05-18 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Structure-Function Studies of Hydrophobic Residues That Clamp a Basic Glutamate Side Chain during Catalysis by Triosephosphate Isomerase. Biochemistry, 55, 2016
7NJC	Crystal structure of the Toxoplasma CPSF4 YTH-domain in complex with a 7 mer m6A-modified RNA 分子名称: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, N-methyladenosine, RNA (5'-R(*(6MZ)P*CP*A)-3'), ... 著者 Swale, C, Bowler, M.W. 登録日 2021-02-16 公開日 2021-07-21 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 A plant-like mechanism coupling m6A reading to polyadenylation safeguards transcriptome integrity and developmental gene partitioning in Toxoplasma . Elife, 10, 2021
7NQ1	C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 6-((S)-hydroxy(phenyl)methyl)-N2-methyl-N4-((1S,2S)-2-methylcyclopropyl)pyridine-2,4-dicarboxamide 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide 著者 Chung, C. 登録日 2021-02-28 公開日 2021-07-21 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Identification of a Series of N -Methylpyridine-2-carboxamides as Potent and Selective Inhibitors of the Second Bromodomain (BD2) of the Bromo and Extra Terminal Domain (BET) Proteins. J.Med.Chem., 64, 2021
5I3U	STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE N-SITE COMPLEX; CATALYTIC INCORPORATION OF AZTMP to A DNA aptamer in CRYSTAL 分子名称: DNA (39-MER), GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, ... 著者 Das, K, Arnold, E. 登録日 2016-02-11 公開日 2016-06-01 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet. Acs Chem.Biol., 11, 2016
7NPZ	C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (R)-N5-cyclopropyl-N3-methyl-2-oxo-1-(1-phenylethyl)-1,2-dihydropyridine-3,5-dicarboxamide 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-[(1~{R})-1-phenylethyl]pyridine-3,5-dicarboxamide 著者 Chung, C. 登録日 2021-02-28 公開日 2021-07-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 Identification of a Series of N -Methylpyridine-2-carboxamides as Potent and Selective Inhibitors of the Second Bromodomain (BD2) of the Bromo and Extra Terminal Domain (BET) Proteins. J.Med.Chem., 64, 2021
5I4S	Non-natural DNA pair Z (6-amino-5-nitro-2[1H] pyridone heterocycle)-Guanosine 分子名称: CALCIUM ION, DNA (5'-D(P*GP*CP*GP*AP*AP*TP*TP*(D8Z)P*GP*CP*G)-3') 著者 Ahmad Sobri, A.F, Brady, R.L. 登録日 2016-02-12 公開日 2017-02-22 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.46 Å) 主引用文献 Non-natural DNA pair Z (6-amino-5-nitro-2[1H] pyridone heterocycle)-Guanosine To Be Published
7NPY	C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 6-benzyl-N2-methyl-N4-((1S,2S)-2-methylcyclopropyl)pyridine-2,4-dicarboxamide 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide 著者 Chung, C. 登録日 2021-02-28 公開日 2021-07-21 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.601 Å) 主引用文献 Identification of a Series of N -Methylpyridine-2-carboxamides as Potent and Selective Inhibitors of the Second Bromodomain (BD2) of the Bromo and Extra Terminal Domain (BET) Proteins. J.Med.Chem., 64, 2021
7NQ2	C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (S)-N4-cyclopropyl-N2-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}4-cyclopropyl-~{N}2-methyl-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide 著者 Chung, C. 登録日 2021-02-28 公開日 2021-07-21 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.735 Å) 主引用文献 Identification of a Series of N -Methylpyridine-2-carboxamides as Potent and Selective Inhibitors of the Second Bromodomain (BD2) of the Bromo and Extra Terminal Domain (BET) Proteins. J.Med.Chem., 64, 2021
7N6E	TCR peptide HLA-A2 complex 分子名称: Beta-2-microglobulin, MHC class I antigen, Spike protein S1, ... 著者 Chaurasia, P, Rossjohn, J, Petersen, J. 登録日 2021-06-08 公開日 2021-07-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Structural basis of biased T cell receptor recognition of an immunodominant HLA-A2 epitope of the SARS-CoV-2 spike protein. J.Biol.Chem., 297, 2021
7NQ0	C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH oxabicyclo(hexan-6-yl)-N2-methyl-6-((S)-1-phenylethyl)pyridine-2,4-dicarboxamide 分子名称: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Bromodomain-containing protein 2, ... 著者 Chung, C. 登録日 2021-02-28 公開日 2021-07-21 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Identification of a Series of N -Methylpyridine-2-carboxamides as Potent and Selective Inhibitors of the Second Bromodomain (BD2) of the Bromo and Extra Terminal Domain (BET) Proteins. J.Med.Chem., 64, 2021
7NQ3	C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N4-((1R,5S,6r)-3-oxabicyclo[3.1.0]hexan-6-yl)-6-((S)-methoxy(phenyl)methyl)-N2-methylpyridine-2,4-dicarboxamide 分子名称: 1,2-ETHANEDIOL, 6-[(~{S})-methoxy(phenyl)methyl]-~{N}2-methyl-~{N}4-[(1~{S},5~{R})-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide, Bromodomain-containing protein 2 著者 Chung, C. 登録日 2021-02-28 公開日 2021-07-21 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.603 Å) 主引用文献 Identification of a Series of N -Methylpyridine-2-carboxamides as Potent and Selective Inhibitors of the Second Bromodomain (BD2) of the Bromo and Extra Terminal Domain (BET) Proteins. J.Med.Chem., 64, 2021
7N6D	HLA peptide complex 分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, MHC class I antigen, ... 著者 Chaurasia, P, Petersen, J, Rossjohn, J. 登録日 2021-06-08 公開日 2021-07-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural basis of biased T cell receptor recognition of an immunodominant HLA-A2 epitope of the SARS-CoV-2 spike protein. J.Biol.Chem., 297, 2021
7EHZ	Structure of human NNMT in complex with macrocyclic peptide 2 分子名称: Nicotinamide N-methyltransferase, macrocyclic peptide 2 著者 Hayashi, K, Mikamiyama, H, Uehara, S, Yamamoto, S, Cary, D, Nishikawa, J, Ueda, T, Ozasa, H, Mihara, K, Yoshimura, N, Kawai, T, Ono, T, Yamamoto, S, Fumoto, M. 登録日 2021-03-30 公開日 2021-12-15 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell. Acs Med.Chem.Lett., 12, 2021
7N10	Co-crystal structure of Prx with ComR DNA binding domain 分子名称: ComR, Prx 著者 Rutbeek, N.R, Prehna, G. 登録日 2021-05-26 公開日 2021-07-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Molecular mechanism of quorum sensing inhibition in Streptococcus by the phage protein paratox. J.Biol.Chem., 297, 2021
7N1N	Prx in complex with ComR DNA-binding domain 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ComR, Prx 著者 Rutbeek, N.R, Prehna, G. 登録日 2021-05-27 公開日 2021-07-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Molecular mechanism of quorum sensing inhibition in Streptococcus by the phage protein paratox. J.Biol.Chem., 297, 2021
7EGU	Structure of human NNMT in complex with macrocyclic peptide X 分子名称: Nicotinamide N-methyltransferase, macrocyclic peptide X 著者 Hayashi, K, Mikamiyama, H, Uehara, S, Yamamoto, S, Cary, D, Nishikawa, J, Ueda, T, Ozasa, H, Mihara, K, Yoshimura, N, Kawai, T, Ono, T, Yamamoto, S, Fumoto, M. 登録日 2021-03-26 公開日 2021-12-15 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell. Acs Med.Chem.Lett., 12, 2021
7N3E	Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C032 分子名称: C032 Fab Heavy Chain, C032 Fab Light Chain 著者 Flyak, A.I, Bjorkman, P.J, Barnes, C.O. 登録日 2021-06-01 公開日 2021-08-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity, 54, 2021
5I5M	Shewanella denitrificans nitrous oxide reductase, Ca2+-reconstituted form 分子名称: (R,R)-2,3-BUTANEDIOL, CALCIUM ION, Nitrous-oxide reductase, ... 著者 Schneider, L.K, Einsle, O. 登録日 2016-02-15 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Role of Calcium in Secondary Structure Stabilization during Maturation of Nitrous Oxide Reductase. Biochemistry, 55, 2016
7N3G	Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C098 分子名称: C098 Fab Heavy Chain, C098 Fab Light Chain 著者 Flyak, A.I, Bjorkman, P.J, Barnes, C.O. 登録日 2021-06-01 公開日 2021-08-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity, 54, 2021

<164165166167168169170171172173174175176177178179>