PDB: 30805 件ウェブページステータス検索Chemie searchBIRD

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7TVN	Viral AMG chitosanase V-Csn, D148N mutant 分子名称: GLYCEROL, SULFATE ION, Viral chitosanase V-Csn D148N mutant 著者 Smith, C.A, Wu, R, Buchko, G.W, Cort, J.R, Hofmockel, K.S, Jansson, J.K. 登録日 2022-02-05 公開日 2022-10-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Structural characterization of a soil viral auxiliary metabolic gene product - a functional chitosanase. Nat Commun, 13, 2022
6NKA	Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine 分子名称: 2'-DEOXYCYTIDINE, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION 著者 Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. 登録日 2019-01-07 公開日 2020-01-15 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine To Be Published
6POY	Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-propoxyphenyl)-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-propoxyphenyl]-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 (2.3 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
7P0L	Crystal structure of S.pombe Mdb1 BRCT domains in complex with a H2A phosphopeptide 分子名称: DNA damage response protein Mdb1, Histone H2A-beta 著者 Day, M, Oliver, A.W, Pearl, L.H. 登録日 2021-06-29 公開日 2021-12-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Phosphorylation-dependent assembly of DNA damage response systems and the central roles of TOPBP1. DNA Repair (Amst), 108, 2021
7TVO	Viral AMG chitosanase V-Csn, E157Q mutant 分子名称: GLYCEROL, SULFATE ION, Viral chitosanase V-Csn E157Q mutant 著者 Smith, C.A, Wu, R, Buchko, G.W, Cort, J.R, Hofmockel, K.S, Jansson, J.K. 登録日 2022-02-05 公開日 2022-10-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Structural characterization of a soil viral auxiliary metabolic gene product - a functional chitosanase. Nat Commun, 13, 2022
7ULL	Human Grp94 N-terminal domain in complex with 42C 分子名称: DIMETHYL SULFOXIDE, Endoplasmin, GLYCEROL, ... 著者 Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. 登録日 2022-04-05 公開日 2023-04-12 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks. Protein Sci., 32, 2023
8E4X	Human Adenosine Deaminase Acting on dsRNA (ADAR2-R2D) bound to dsRNA containing a G:3-deaza dA pair adjacent to the target site 分子名称: Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5-R(*GP*CP*UP*CP*GP*CP*GP*AP*UP*GP*CP*GP*(8AZ)P*GP*AP*GP*GP*GP*CP* UP*CP*UP*GP*AP*UP*AP*GP*CP*UP*AP*CP*G)-3), ... 著者 Fisher, A.J, Mendoza, H.G. 登録日 2022-08-19 公開日 2022-10-26 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 ADAR activation by inducing a syn conformation at guanosine adjacent to an editing site. Nucleic Acids Res., 50, 2022
6VVB	Mycobacterium tuberculosis dihydrofolate reductase in complex with 6-methyl-5-(4-phenylthiazol-2-yl)-2- (trifluoromethyl)nicotinic acid (fragment 10) 分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid, Dihydrofolate reductase, ... 著者 Tyrakis, P, Dias, M.V.B. 登録日 2020-02-17 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6BMK	Crystal structure of MHC-I like protein 分子名称: (2R)-1-(decanoyloxy)-3-(phosphonooxy)propan-2-yl octadecanoate, 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 Khandokar, Y.B, Le Nours, J, Rossjohn, J. 登録日 2017-11-15 公開日 2018-01-31 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.43 Å) 主引用文献 Differing roles of CD1d2 and CD1d1 proteins in type I natural killer T cell development and function. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7TPZ	Selenium-free nitrogenase Fe protein (Av2) from A. vinelandii (nucleotide control) 分子名称: ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... 著者 Buscagan, T.M, Kaiser, J.T, Rees, D.C. 登録日 2022-01-26 公開日 2022-09-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Selenocyanate derived Se-incorporation into the Nitrogenase Fe protein cluster. Elife, 11, 2022
8QN5	M. tuberculosis salicylate synthase MbtI in complex with methyl-AMT (new crystal form) 分子名称: 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, AMMONIUM ION, CITRATE ANION, ... 著者 Mori, M, Villa, S, Meneghetti, M, Bellinzoni, M. 登録日 2023-09-25 公開日 2023-11-15 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.544 Å) 主引用文献 Structural Study of a New MbtI-Inhibitor Complex: Towards an Optimized Model for Structure-Based Drug Discovery. Pharmaceuticals, 16, 2023
7TQ0	Selenium-incorporated nitrogenase Fe protein (Av2-Se) from A. vinelandii (22 mM KSeCN, with Av1) 分子名称: ADENOSINE-5'-DIPHOSPHATE, Fe4-Se4 cluster, IRON/SULFUR CLUSTER, ... 著者 Buscagan, T.M, Kaiser, J.T, Rees, D.C. 登録日 2022-01-26 公開日 2022-09-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Selenocyanate derived Se-incorporation into the Nitrogenase Fe protein cluster. Elife, 11, 2022
6VUB	Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 5 (1-methyl-4-phenylpyrrolidin-2-one) 分子名称: (4R)-1-methyl-4-phenylpyrrolidin-2-one, Bromodomain-containing protein 4 著者 Ilyichova, O.V, Scanlon, M.J, Thompson, P.E. 登録日 2020-02-14 公開日 2020-02-26 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Substituted 1-methyl-4-phenylpyrrolidin-2-ones - Fragment-based design of N-methylpyrrolidone-derived bromodomain inhibitors. Eur.J.Med.Chem., 191, 2020
6BID	1.15 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor 分子名称: 3C-like protease, benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate 著者 Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Weerawarna, P.M, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. 登録日 2017-11-01 公開日 2018-11-07 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease. Proteins, 87, 2019
7TPW	Selenium-free nitrogenase Fe protein (Av2) from A. vinelandii 分子名称: ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... 著者 Buscagan, T.M, Kaiser, J.T, Rees, D.C. 登録日 2022-01-26 公開日 2022-09-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.18 Å) 主引用文献 Selenocyanate derived Se-incorporation into the Nitrogenase Fe protein cluster. Elife, 11, 2022
6BIM	Structure of NlpC1 from Trichomonas vaginalis 分子名称: Clan CA, family C40, NlpC/P60 superfamily cysteine peptidase 著者 Pinheiro, J, Simoes-Barbosa, A, Goldstone, D.C. 登録日 2017-11-02 公開日 2018-11-07 最終更新日 2019-05-29 実験手法 X-RAY DIFFRACTION (1.547 Å) 主引用文献 The ProtozoanTrichomonas vaginalisTargets Bacteria with Laterally Acquired NlpC/P60 Peptidoglycan Hydrolases. Mbio, 9, 2018
7U3E	GID4 in complex with compound 1 分子名称: Glucose-induced degradation protein 4 homolog, tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate 著者 Chana, C.K, Sicheri, F. 登録日 2022-02-27 公開日 2022-10-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.852 Å) 主引用文献 Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4. J.Med.Chem., 65, 2022
8R5V	Crystal structure of bovine pancreatic ribonuclease A in complex with [Sp-PS]-mU-dT dinucleotide 分子名称: 1-[(2~{R},4~{S},5~{R})-5-[[[(2~{R},6~{S})-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-(hydroxymethyl)morpholin-4-yl]-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione, DICHLORO-ACETIC ACID, Ribonuclease pancreatic 著者 Dolot, R, Jastrzebska, K, Antonczyk, P. 登録日 2023-11-17 公開日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Synthesis of P-stereodefined morpholino dinucleoside-3',6'-thiophosphoramidates using unexpected activator. To Be Published
7OTX	HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-257 分子名称: (S)-2-((3-(6-amino-9H-purin-9-yl)propyl)amino)-3-phosphonopropanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ... 著者 Martinez, S.E, Singh, A.K, Gu, W, Das, K. 登録日 2021-06-10 公開日 2021-12-08 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (3.45 Å) 主引用文献 Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design. Eur.J.Med.Chem., 225, 2021
5BX6	PKA in complex with a halogenated phthalazinone fragment compound. 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-chlorophthalazin-1(2H)-one, cAMP-dependent protein kinase catalytic subunit alpha, ... 著者 Narayanan, D, Alam, K.A, Engh, R.A. 登録日 2015-06-08 公開日 2016-09-14 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 PKA based studies of ligand interactions with a methionine gatekeeper. To Be Published
7OKF	Crystal structure of human BCL6 BTB domain in complex with compound 8c 分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2021-05-17 公開日 2021-12-08 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket. J.Med.Chem., 64, 2021
7TQ9	Selenium-incorporated nitrogenase Fe protein (Av2-Se) from A. vinelandii (22 mM KSeCN, with Av1) 分子名称: ADENOSINE-5'-DIPHOSPHATE, Fe4-Se4 cluster, IRON/SULFUR CLUSTER, ... 著者 Buscagan, T.M, Kaiser, J.T, Rees, D.C. 登録日 2022-01-26 公開日 2022-09-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Selenocyanate derived Se-incorporation into the Nitrogenase Fe protein cluster. Elife, 11, 2022
6VV9	Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB300 分子名称: 5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... 著者 Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. 登録日 2020-02-17 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6BN7	Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET23 PROTAC. 分子名称: Bromodomain-containing protein 4, DNA damage-binding protein 1, Protein cereblon, ... 著者 Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S. 登録日 2017-11-16 公開日 2018-05-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.501 Å) 主引用文献 Plasticity in binding confers selectivity in ligand-induced protein degradation. Nat. Chem. Biol., 14, 2018
8EDQ	E. coli pyruvate kinase (PykF) I264F 分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pyruvate kinase, SULFATE ION 著者 Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F. 登録日 2022-09-05 公開日 2022-11-16 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.88 Å) 主引用文献 Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth To Be Published

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