PDB: 31311 件ウェブページステータス検索Chemie searchBIRD

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7P0X	Crystal structure of Thioredoxin reductase from Brugia Malayi 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Fata, F, Ardini, M, Silvestri, I, Gabriele, F, Cheng, Q, Arner, E.S.J, Williams, D.L. 登録日 2021-06-30 公開日 2022-04-06 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Biochemical and structural characterizations of thioredoxin reductase selenoproteins of the parasitic filarial nematodes Brugia malayi and Onchocerca volvulus. Redox Biol, 51, 2022
5U0G	Identification of a New Zinc Binding Chemotype by Fragment Screening 分子名称: (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ... 著者 Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. 登録日 2016-11-23 公開日 2017-08-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
8QA7	Crystal structure of HDAC6 catalytic domain 2 from zebrafish in complex with buffer component. 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone deacetylase 6, POTASSIUM ION, ... 著者 Sandmark, J, Ek, M. 登録日 2023-08-22 公開日 2024-09-11 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Crystal structure of HDAC6 catalytic domain 2 from zebrafish in complex with buffer component. To Be Published
7P8S	Crystal Structure of leukotoxin LukE from Staphylococcus aureus at 1.9 Angstrom resolution 分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, HEXAETHYLENE GLYCOL, Leucotoxin LukEv, ... 著者 Lambey, P, Hoh, F, Granier, S, Leyrat, C. 登録日 2021-07-23 公開日 2022-04-06 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural insights into recognition of chemokine receptors by Staphylococcus aureus leukotoxins. Elife, 11, 2022
7UUD	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33 分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 著者 Yang, K.S, Liu, W.R. 登録日 2022-04-28 公開日 2023-01-25 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease. Acs Chem.Biol., 18, 2023
8TRP	Structure of a HEPES bound TRAP transporter substrate binding protein. 分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Isethionate-binding periplasmic protein DctP 著者 Newton-Vesty, M.C, Dobson, R.C.J. 登録日 2023-08-10 公開日 2024-08-28 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Structure of a HEPES bound TRAP transporter substrate binding protein. To Be Published
8KB1	Crystal structure of 11JD 分子名称: Beta2-microglobulin, MHC class I antigen, peptide of AIV 著者 Tang, Z, Zhang, N. 登録日 2023-08-03 公開日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.46 Å) 主引用文献 The impact of micropolymorphism in Anpl-UAA on structural stability and peptide presentation. Int.J.Biol.Macromol., 267, 2024
7P7F	Crystal structure of phosphorylated pT220 Casein Kinase I delta (CK1d), conformation 1 分子名称: 1,2-ETHANEDIOL, ADENOSINE, ADENOSINE MONOPHOSPHATE, ... 著者 Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2021-07-19 公開日 2022-04-13 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes. Mol.Cell, 82, 2022
6LZB	crystal structure of Human Methionine aminopeptidase (HsMetAP1b) in complex with AN-P2-5H-06 分子名称: 1-[(3-methoxyphenyl)methyl]-~{N}-oxidanyl-pyrrolo[2,3-b]pyridine-5-carboxamide, COBALT (II) ION, GLYCEROL, ... 著者 sandeep, C.B, Addlagatta, A. 登録日 2020-02-18 公開日 2021-02-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.29 Å) 主引用文献 Selective inhibition of Helicobacter pylori methionine aminopeptidase by azaindole hydroxamic acid derivatives: Design, synthesis, in vitro biochemical and structural studies. Bioorg.Chem., 115, 2021
5C02	Influenza A M2 transmembrane domain drug-resistant S31N mutant at pH 8.0 分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, CHLORIDE ION, ... 著者 Thomaston, J.L, DeGrado, W.F. 登録日 2015-06-12 公開日 2016-05-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.591 Å) 主引用文献 Crystal structure of the drug-resistant S31N influenza M2 proton channel. Protein Sci., 25, 2016
7P7G	Crystal structure of phosphorylated pT220 Casein Kinase I delta (CK1d), conformation 2 and 3 分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CITRIC ACID, ... 著者 Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2021-07-19 公開日 2022-04-13 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes. Mol.Cell, 82, 2022
5C0I	HAL-A02 carrying RQFGPDFPTI 分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, CALCIUM ION, ... 著者 Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. 登録日 2015-06-12 公開日 2016-05-04 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
7U9N	S48A Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, CYCLOHEXYLFORMAMIDE, ... 著者 Zheng, C, Boxer, S.G. 登録日 2022-03-11 公開日 2023-02-01 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Enhanced active-site electric field accelerates enzyme catalysis. Nat.Chem., 15, 2023
7M0N	The crystal structure of wild type PA endonuclease (A/Vietnam/1203/2004) in complex with Raltegravir 分子名称: GLYCEROL, MANGANESE (II) ION, N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide, ... 著者 Cuypers, M.G, Slavish, P.J, Yun, M.K, Dubois, R, Rankovic, Z, White, S.W. 登録日 2021-03-11 公開日 2022-03-02 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
8QDV	Structure of 14-3-3 zeta delta C with the bivalent tau-pS214-pS324 peptide 分子名称: 14-3-3 protein zeta/delta, Microtubule-associated protein tau 著者 van den Oetelaar, M.C.M, Brunsveld, L, Ottmann, C. 登録日 2023-08-30 公開日 2024-09-11 最終更新日 2024-09-18 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 14-3-3zeta binding increases cytosolic phospho-Tau solubility by decreasing its condensation, aggregation, and microtubule association To Be Published
6LZC	crystal structure of Human Methionine aminopeptidase (HsMetAP1b) in complex with KV-P2-4H-05 分子名称: COBALT (II) ION, GLYCEROL, MAGNESIUM ION, ... 著者 Sandeep, C.B, Addlagatta, A. 登録日 2020-02-18 公開日 2021-02-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Selective inhibition of Helicobacter pylori methionine aminopeptidase by azaindole hydroxamic acid derivatives: Design, synthesis, in vitro biochemical and structural studies. Bioorg.Chem., 115, 2021
8QAN	Crystal Structure of the first bromodomain of BRD4 in complex with acetyl-pyrrole derivative compound 79 分子名称: 1,2-ETHANEDIOL, 1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4 著者 Dalle Vedove, A, Cazzanelli, G, Lolli, G. 登録日 2023-08-23 公開日 2024-09-11 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Dual BET/BRPF1 inhibitors induce morphological alteration and cellular death in various human cancer cell lines To be published
8TY5	MI-14 bound to Mpro of SARS-CoV-2 分子名称: (1R,2S,5S)-3-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 著者 Blankenship, L.R, Liu, W.R. 登録日 2023-08-24 公開日 2024-08-28 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 MI-14 bound to SARS-CoV-2 Mpro To Be Published
7P7H	Crystal structure of Casein Kinase I delta (CK1d) with alphaG-in conformation 分子名称: ADENOSINE MONOPHOSPHATE, Casein kinase I isoform delta 著者 Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2021-07-19 公開日 2022-04-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes. Mol.Cell, 82, 2022
7XRZ	Crystal structure of BRIL and SRP2070_Fab complex 分子名称: IGG HEAVY CHAIN, IGG LIGHT CHAIN, Soluble cytochrome b562 著者 Suzuki, M, Miyagi, H, Yasunaga, M, Asada, H, Iwata, S, Saito, J. 登録日 2022-05-12 公開日 2023-05-10 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural insight into an anti-BRIL Fab as a G-protein-coupled receptor crystallization chaperone. Acta Crystallogr D Struct Biol, 79, 2023
5G4Z	Structural basis for carboxylic acid recognition by a Cache chemosensory domain. 分子名称: Methyl-accepting chemotaxis sensory transducer with Cache sensor, TRIETHYLENE GLYCOL, UNKNOWN LIGAND 著者 Brewster, J, McKellar, J.L.O, Newman, J, Peat, T.S, Gerth, M.L. 登録日 2016-05-18 公開日 2017-03-29 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Structural basis for ligand recognition by a Cache chemosensory domain that mediates carboxylate sensing in Pseudomonas syringae. Sci Rep, 6, 2016
5G5V	Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-038 分子名称: (4AS,8AR)-4-(3-{4-[(3R)-3-HYDROXYPYRROLIDINE-1-, 1,2-ETHANEDIOL, FORMIC ACID, ... 著者 Singh, A.K, Brown, D.G. 登録日 2016-06-06 公開日 2018-03-14 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
7MQ2	C9A Streptococcus pneumoniae CstR in the reduced state, space group P21 分子名称: Copper-sensing transcriptional repressor csoR 著者 Fakhoury, J.N, Gonzalez-Gutierrez, G, Giedroc, D.P. 登録日 2021-05-05 公開日 2022-03-09 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Functional asymmetry and chemical reactivity of CsoR family persulfide sensors. Nucleic Acids Res., 49, 2021
8QAP	Crystal Structure of the first bromodomain of BRD4 in complex with acetyl-pyrrole derivative compound 2 分子名称: 1,2-ETHANEDIOL, 2-[4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-2~{H}-isoindol-1-yl)-1,3-thiazol-2-yl]guanidine, Bromodomain-containing protein 4 著者 Dalle Vedove, A, Cazzanelli, G, Lolli, G. 登録日 2023-08-23 公開日 2024-09-11 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Dual BET/BRPF1 inhibitors induce morphological alteration and cellular death in various human cancer cell lines To be published
6M0U	Structure of AhSYMRK kinase domain mutant - K625E 分子名称: CACODYLATE ION, CALCIUM ION, Symbiosis receptor kinase SymRK, ... 著者 Datta, A.B, Naskar, P. 登録日 2020-02-22 公開日 2021-02-24 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Structure of AhSYMRK kinase domain mutant - K625E To Be Published

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