PDB: 243083 件ウェブページステータス検索Chemie searchBIRD

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8AD4	X-ray structure of NqrF(129-408)of Vibrio cholerae in complex with NADH 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit F, ... 著者 Fritz, G. 登録日 2022-07-07 公開日 2023-07-12 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase. Nat.Struct.Mol.Biol., 30, 2023
8EWL	Crystal structure of CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+) 著者 Sevrioukova, I.F. 登録日 2022-10-24 公開日 2023-02-01 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4. Inorg.Chem., 62, 2023
8YVP	canine immunoproteasome 20S subunit in complex with compound 1 分子名称: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... 著者 Kashima, A, Arai, Y. 登録日 2024-03-29 公開日 2024-07-31 最終更新日 2024-10-30 実験手法 ELECTRON MICROSCOPY (2.5 Å) 主引用文献 Optimization of alpha-amido boronic acids via cryo-electron microscopy analysis: Discovery of a novel highly selective immunoproteasome subunit LMP7 ( beta 5i)/LMP2 ( beta 1i) dual inhibitor. Bioorg.Med.Chem., 109, 2024
8AD5	X-ray structure of NqrF(129-408)of Vibrio cholerae variant F406A 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit F, ... 著者 Fritz, G. 登録日 2022-07-07 公開日 2023-07-12 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase. Nat.Struct.Mol.Biol., 30, 2023
8ZLY	Crystal structure of Streptococcus pneumoniae pyruvate kinase in complex with oxalate and fructose 1,6-bisphosphate and UDP 分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ... 著者 Nakashima, R, Taguchi, A. 登録日 2024-05-21 公開日 2024-07-31 最終更新日 2024-08-07 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Structural Basis of Nucleotide Selectivity in Pyruvate Kinase. J.Mol.Biol., 436, 2024
8YVG	canine immunoproteasome 20S subunit in complex with compound 1 分子名称: Proteasome subunit alpha type, Proteasome subunit beta, Proteasome subunit beta type-8, ... 著者 Kashima, A, Arai, Y. 登録日 2024-03-28 公開日 2024-07-31 最終更新日 2024-10-16 実験手法 ELECTRON MICROSCOPY (2 Å) 主引用文献 Optimization of alpha-amido boronic acids via cryo-electron microscopy analysis: Discovery of a novel highly selective immunoproteasome subunit LMP7 ( beta 5i)/LMP2 ( beta 1i) dual inhibitor. Bioorg.Med.Chem., 109, 2024
9BY6	Crystal structure of the kinase domain of EGFR soaked with non-covalent osimertinib 分子名称: 1,3-PROPANDIOL, Epidermal growth factor receptor, ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide 著者 Ashtekar, K.D, Stayrook, S.E, Lemmon, M.A. 登録日 2024-05-23 公開日 2025-05-28 最終更新日 2025-10-01 実験手法 X-RAY DIFFRACTION (2.551 Å) 主引用文献 Comprehensive characterization of EGFR-tyrosine kinase inhibitor interactions probed by hydrogen-deuterium exchange and mass spectrometry (HDX-MS) To Be Published
8T5S	Cryo-EM structure of DRH-1 helicase and C-terminal domain bound to dsRNA 分子名称: ADENOSINE-5'-DIPHOSPHATE, Dicer-related helicase, MAGNESIUM ION, ... 著者 Consalvo, C.D, Donelick, H.M, Shen, P.S, Bass, B.L. 登録日 2023-06-14 公開日 2024-05-15 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (2.9 Å) 主引用文献 Caenorhabditis elegans Dicer acts with the RIG-I-like helicase DRH-1 and RDE-4 to cleave dsRNA. Elife, 13, 2024
6YGN	Titin kinase and its flanking domains 分子名称: 1,2-ETHANEDIOL, GLYCEROL, Titin 著者 Fleming, J.R, Franke, B, Bogomolovas, J, Mayans, O. 登録日 2020-03-27 公開日 2021-04-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Titin kinase ubiquitination aligns autophagy receptors with mechanical signals in the sarcomere. Embo Rep., 22, 2021
8HFJ	Crystal Structure of CbAR mutant (H162F) in complex with NADP+ and a bulky 1,3-cyclodiketone 分子名称: 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase 著者 Hou, X.D, Yin, D.J, Rao, Y.J. 登録日 2022-11-10 公開日 2023-06-07 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins. Nat Commun, 14, 2023
5NOB	Crystal structure of human tankyrase 2 in complex with OD336 分子名称: 1-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile, Tankyrase-2, ZINC ION 著者 Ignatev, A, Lehtio, L. 登録日 2017-04-11 公開日 2017-11-29 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Discovery of a Novel Series of Tankyrase Inhibitors by a Hybridization Approach. J. Med. Chem., 60, 2017
7AJA	Structure of DYRK1A in complex with compound 28 分子名称: 1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A 著者 Dokurno, P, Surgenor, A.E, Kotschy, A. 登録日 2020-09-28 公開日 2021-05-26 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
6EE9	Cytokine-like Peptide Stress-response Peptide-1 from Manduca Sexta 分子名称: Stress-response Peptide-1 著者 Schrag, L. 登録日 2018-08-13 公開日 2019-08-21 最終更新日 2024-10-23 実験手法 SOLUTION NMR 主引用文献 NMR Solution Structure and Expression Profile of Stress Response Peptide-1: A Cytokine from Manduca sexta To be published
6HDK	R49A variant of beta-phosphoglucomutase from Lactococcus lactis complexed with aluminium tetrafluoride and beta-G6P to 1.2 A. 分子名称: 1,2-ETHANEDIOL, 6-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, ... 著者 Robertson, A.J, Bisson, C, Waltho, J.P. 登録日 2018-08-17 公開日 2020-08-26 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase. To Be Published
7MCM	Crystal Structure of Enoyl-CoA hydratase from Mycolicibacterium smegmatis 分子名称: 1,2-ETHANEDIOL, Enoyl-CoA hydratase 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2021-04-02 公開日 2021-04-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Crystal Structure of Enoyl-CoA hydratase from Mycolicibacterium smegmatis to be published
6Q60	Structure of GluA2 ligand-binding domain (S1S2J) in complex with the agonist (S)-2-Amino-3-(2-methyl-5-hydroxy-2H-1,2,3-triazol-4-yl)propanoic acid at 1.55 A resolution 分子名称: (2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid, CHLORIDE ION, GLYCEROL, ... 著者 Moellerud, S, Temperini, P, Kastrup, J.S. 登録日 2018-12-10 公開日 2019-04-17 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Use of the 4-Hydroxytriazole Moiety as a Bioisosteric Tool in the Development of Ionotropic Glutamate Receptor Ligands. J.Med.Chem., 62, 2019
7AKR	Human ADP-ribosylserine hydrolase ARH3 mutant E41A in complex with ADP-ribose dimer 分子名称: 1,2-ETHANEDIOL, ADP-ribose glycohydrolase ARH3, CHLORIDE ION, ... 著者 Ariza, A. 登録日 2020-10-02 公開日 2021-06-16 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Mechanistic insights into the three steps of poly(ADP-ribosylation) reversal. Nat Commun, 12, 2021
7AKS	Human ADP-ribosylserine hydrolase ARH3 mutant E41A in complex with H2B-S7-mar peptide 分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADP-ribose glycohydrolase ARH3, ... 著者 Ariza, A. 登録日 2020-10-02 公開日 2021-06-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Mechanistic insights into the three steps of poly(ADP-ribosylation) reversal. Nat Commun, 12, 2021
8WYP	High Resolution Crystal Structure of Brd4 BD-1 in Complex with a Novel Inhibitor Precursor 分子名称: 3-bromanylimidazo[1,2-a]pyridin-6-amine, Bromodomain-containing protein 4 著者 Liu, B, Ma, X. 登録日 2023-10-31 公開日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 High resolution crystal structure of BRD4-BD1 in complex with a novel inhibitor precursor. Biochem.Biophys.Res.Commun., 690, 2024
5X8M	PD-L1 in complex with durvalumab 分子名称: Programmed cell death 1 ligand 1, durvalumab heavy chain, durvalumab light chain 著者 Heo, Y.S, Lee, H.T. 登録日 2017-03-03 公開日 2017-08-16 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.661 Å) 主引用文献 Molecular mechanism of PD-1/PD-L1 blockade via anti-PD-L1 antibodies atezolizumab and durvalumab Sci Rep, 7, 2017
8WTQ	HUMAN SQUALENE SYNTHASE IN COMPLEX WITH {1-[2-Chloro-5-(2,2-dimethyl-propyl)-13-(2-methoxy-phenyl)-6-oxo-6,7,10,11-tetrahydro-5H,9H,13H-12-oxa-5,8-diaza-benzocycloundecene-8-carbonyl]-piperidin-4-yl}-acetic acid 分子名称: 2-[1-[[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3-oxidanylidene-9-oxa-2,5-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-5-yl]carbonyl]piperidin-4-yl]ethanoic acid, PHOSPHATE ION, Squalene synthase 著者 Suzuki, M, Haginoya, N, Suzuki, M, Ishigai, Y, Terayama, K, Kanda, A, Sugita, K. 登録日 2023-10-19 公開日 2024-05-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of Novel 11-Membered Templates as Squalene Synthase Inhibitors. J.Med.Chem., 67, 2024
7QNT	TarM(Se) native 分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... 著者 Guo, Y, Stehle, T. 登録日 2021-12-22 公開日 2023-05-10 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (3.21 Å) 主引用文献 Invasive Staphylococcus epidermidis uses a unique processive wall teichoic acid glycosyltransferase to evade immune recognition. Sci Adv, 9, 2023
5NDF	Small-molecule inhibition of ppGalNAc-Ts selectively reduces mucin-type O-glycosylation 分子名称: 1,2-ETHANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, MANGANESE (II) ION, ... 著者 Hurtado-Guerrero, R, De las Rivas, M. 登録日 2017-03-08 公開日 2017-11-01 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 The small molecule luteolin inhibits N-acetyl-alpha-galactosaminyltransferases and reduces mucin-type O-glycosylation of amyloid precursor protein. J. Biol. Chem., 292, 2017
9FTT	Cryo-EM structure of the type 1 pilus rod as part of the FimA-bound usher complex (FimDHGFAnC) 分子名称: Type-1 fimbrial protein, A chain 著者 Bachmann, P, Afanasyev, P, Boehringer, D, Glockshuber, R. 登録日 2024-06-25 公開日 2025-06-04 実験手法 ELECTRON MICROSCOPY (3.6 Å) 主引用文献 Cryo-EM structure of the type 1 pilus rod as part of the FimA-bound usher complex (FimDHGFAnC) To Be Published
6O3R	Crystal Structure of NDM-1 D199N with Compound 7 分子名称: Carbapenem Hydrolyzing Class B Metallo beta lactamase NDM-1, ZINC ION, [(5-methoxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid 著者 Akhtar, A, Chen, Y. 登録日 2019-02-27 公開日 2019-09-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019

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