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

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7NM9	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-110 分子名称: 14-3-3 protein sigma, 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde, DI(HYDROXYETHYL)ETHER, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-02-23 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
7UAJ	Crystal structure of apo HPV16 E6 分子名称: Maltose/maltodextrin-binding periplasmic protein,Protein E6, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose 著者 Shen, Q, Leonard, P.G, Cross, J.B. 登録日 2022-03-13 公開日 2023-03-15 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (3.25 Å) 主引用文献 Disorder-to-order transition of the interdomain linker of HPV E6 upon E6AP binding reshapes p53 binding pocket To Be Published
7NJB	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-132 分子名称: 14-3-3 protein sigma, 4-piperidin-1-ylsulfonylbenzaldehyde, CHLORIDE ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-02-16 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
7S3L	Structure of Bacillus subtilis CcrZ (previously called YtmP) 分子名称: Aminoglycoside phosphotransferase family protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 著者 Nandakumar, J, Wozniak, K.J. 登録日 2021-09-07 公開日 2022-05-11 最終更新日 2022-06-01 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure and kinase activity of bacterial cell cycle regulator CcrZ. Plos Genet., 18, 2022
4ZA0	Structure of Human Enolase 2 in complex with Phosphonoacetohydroxamate 分子名称: Gamma-enolase, MAGNESIUM ION, PHOSPHONOACETOHYDROXAMIC ACID 著者 Leonard, P.G, Maxwell, D, Czako, B, Muller, F.L. 登録日 2015-04-13 公開日 2016-04-13 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 SF2312 is a natural phosphonate inhibitor of enolase. Nat.Chem.Biol., 12, 2016
8BBD	IPNS H270Q variant in complex with ACV after O2 exposure 分子名称: Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, SULFATE ION 著者 Rabe, P, Schofield, C.J. 登録日 2022-10-12 公開日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 IPNS H270Q variant in complex ACV after O2 exposure To Be Published
4ZE0	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with Voriconazole 分子名称: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole 著者 Sagatova, A, Keniya, M.V, Wilson, R, Tyndall, J.D.A, Monk, B.C. 登録日 2015-04-20 公開日 2016-03-30 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
8B7E	The crystal structure of N828V variant of DNA Pol Epsilon containing UTP in the polymerase active site 分子名称: CALCIUM ION, DNA polymerase epsilon catalytic subunit A, GLYCEROL, ... 著者 Parkash, V, Johansson, E. 登録日 2022-09-29 公開日 2023-10-25 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides. Nucleic Acids Res., 2023
8OSD	Crystal structure of the titin domain Fn3-49 分子名称: Titin 著者 Nikoopour, R, Rees, M, Gautel, M. 登録日 2023-04-18 公開日 2023-08-23 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation. J.Struct.Biol., 215, 2023
7NK3	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-128 分子名称: 14-3-3 protein sigma, 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline, CALCIUM ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-02-17 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
7UW2	Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB116 and coactivator peptide GRIP-1 分子名称: (2E,4E,6Z,8E)-8-{3-[(2S)-butan-2-yl]-2-(3-methylbutyl)cyclohex-2-en-1-ylidene}-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha 著者 Chattopadhyay, D, Yang, Z, Atigadda, V. 登録日 2022-05-02 公開日 2023-03-15 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers. J.Med.Chem., 65, 2022
8BBC	IPNS H270A variant in complex with Fe and ACV under anaerobic conditions 分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... 著者 Rabe, P, Schofield, C.J. 登録日 2022-10-12 公開日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 IPNS H270A variant in complex with Fe and ACV under anaerobic conditions To Be Published
7NIF	14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-011 分子名称: 1-(4-methylphenyl)imidazole, 14-3-3 protein sigma, CALCIUM ION, ... 著者 Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. 登録日 2021-02-12 公開日 2021-06-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
8BAZ	The surface-exposed lipo-protein of BtuG2 in complex with cyanocobalamin. 分子名称: COB(II)INAMIDE, CYANIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Whittaker, J, Martinez-Felices, J.M, Guskov, A, Slotboom, D.J. 登録日 2022-10-12 公開日 2023-10-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The surface-exposed lipo-protein of BtuG2 in complex with cyanocobinamide. To Be Published
8ONN	Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense point mutant E113A complexed with 3-aminooxypropionic acid 分子名称: 3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid, Aminotransferase class IV 著者 Matyuta, I.O, Boyko, K.M, Minyaev, M.E, Shilova, S.A, Bezsudnova, E.Y, Popov, V.O. 登録日 2023-04-03 公開日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 In search for structural targets for engineering d-amino acid transaminase: modulation of pH optimum and substrate specificity. Biochem.J., 480, 2023
7UW4	Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB113 and coactivator peptide GRIP-1 分子名称: (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha 著者 Chattopadhyay, D, Yang, Z, Atigadda, V. 登録日 2022-05-02 公開日 2023-03-15 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers. J.Med.Chem., 65, 2022
8BAM	Eugenol Oxidase (EUGO) from Rhodococcus jostii RHA1, tenfold mutant active on propanol syringol 分子名称: 2,6-dimethoxy-4-(3-oxidanylpropyl)phenol, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... 著者 Alvigini, L, Mattevi, A. 登録日 2022-10-11 公開日 2023-10-25 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 One-Pot Biocatalytic Synthesis of rac -Syringaresinol from a Lignin-Derived Phenol. Acs Catalysis, 13, 2023
6L5W	Carbonmonoxy human hemoglobin C in the R quaternary structure at 140 K: Light (2 min) 分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... 著者 Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. 登録日 2019-10-24 公開日 2020-02-19 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
7NJ8	14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1007 分子名称: 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ... 著者 Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. 登録日 2021-02-16 公開日 2021-06-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
6U8C	Crystal structure of an engineered ultra-high affinity Fab-Protein G complex 分子名称: Antibody heavy chain Fab, Antibody light chain Fab, Protein G 著者 Slezak, T, Filippova, E.V, Davydova, E.K, Kossiakoff, A.A. 登録日 2019-09-04 公開日 2019-10-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.61 Å) 主引用文献 An engineered ultra-high affinity Fab-Protein G pair enables a modular antibody platform with multifunctional capability. Protein Sci., 29, 2020
7N5Z	SARS-CoV-2 Main protease C145S mutant 分子名称: 3C-like proteinase 著者 Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S. 登録日 2021-06-07 公開日 2021-06-16 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process. J.Mol.Biol., 433, 2021
7ULY	MicroED structure of triclinic lysozyme 分子名称: Lysozyme C, NITRATE ION 著者 Clabbers, M.T.B, Martynowycz, M.W, Hattne, J, Gonen, T. 登録日 2022-04-05 公開日 2023-03-15 実験手法 ELECTRON CRYSTALLOGRAPHY (0.87 Å) 主引用文献 Hydrogens and hydrogen-bond networks in macromolecular MicroED data. J Struct Biol X, 6, 2022
8BAI	The surface-exposed lipo-protein of BtuG2 in complex with cyanocobalamin. 分子名称: CYANOCOBALAMIN, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Whittaker, J, Martinez Felices, J.M, Guskov, A, Slotboom, D.J. 登録日 2022-10-11 公開日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 The surface-exposed lipo-protein of BtuG2 in complex with cyanocobalamin. To Be Published
6KZU	Macrocyclization of an all-D linear peptide improves target affinity and imparts cellular activity: A novel stapled alpha-helical peptide modality 分子名称: 2JN-DAL-E03-DTY-2JN-DSG-TDF-DGL-MK8-DLE-DLE-2JN, E3 ubiquitin-protein ligase Mdm2 著者 Jiang, S, Brown, C.J. 登録日 2019-09-25 公開日 2019-10-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Macrocyclization of an all-d linear alpha-helical peptide imparts cellular permeability. Chem Sci, 11, 2020
7UYD	Inhibitor bound VIM1 分子名称: 1,2-ETHANEDIOL, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... 著者 Fischmann, T.O, Scapin, G. 登録日 2022-05-06 公開日 2023-05-24 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024

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