PDB: 30867 件ウェブページステータス検索Chemie searchBIRD

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6ZPS	Structure of Unliganded MgGH51 a-L-Arabinofuranosidase Crystal Type 3 Collected at 2.75 A 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ... 著者 McGregor, N.G.S, Davies, G.J. 登録日 2020-07-09 公開日 2020-11-11 最終更新日 2020-11-18 実験手法 X-RAY DIFFRACTION (1.795 Å) 主引用文献 Structure of a GH51 alpha-L-arabinofuranosidase from Meripilus giganteus: conserved substrate recognition from bacteria to fungi. Acta Crystallogr D Struct Biol, 76, 2020
7R55	B-trefoil lectin from Salpingoeca rosetta in complex with Gb3 分子名称: 1,2-ETHANEDIOL, Sarol-1, alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose 著者 Notova, S, Varrot, A. 登録日 2022-02-10 公開日 2022-09-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 The choanoflagellate pore-forming lectin SaroL-1 punches holes in cancer cells by targeting the tumor-related glycosphingolipid Gb3. Commun Biol, 5, 2022
6DG3	LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with caesium 分子名称: CESIUM ION, PHOSPHATE ION, Pyridinium-3,5-biscarboxylic acid mononucleotide sulfurtransferase 著者 Fellner, M, Hausinger, R.P, Hu, J. 登録日 2018-05-16 公開日 2019-05-22 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.944 Å) 主引用文献 Unique cesium-binding sites in proteins, a case study with the sacrificial sulfur transferase LarE J Life Sci, 2021
7MLQ	X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (compound 26) 分子名称: 1,2-ETHANEDIOL, 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, Bromodomain-containing protein 4, ... 著者 Cui, H, Johnson, J.A, Vail, N.R, Shi, K, Aihara, H, Pomerantz, W.C.K. 登録日 2021-04-28 公開日 2021-07-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity. J.Med.Chem., 64, 2021
8B4K	Rfa1-N-terminal domain in complex with phosphorylated Ddc2 分子名称: Replication factor A protein 1 著者 Yates, L.A, Zhang, X. 登録日 2022-09-20 公開日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 A DNA damage-induced phosphorylation circuit enhances Mec1 ATR Ddc2 ATRIP recruitment to Replication Protein A. Proc.Natl.Acad.Sci.USA, 120, 2023
6G9D	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]ethanamide 著者 O'Reilly, M. 登録日 2018-04-10 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
5TR0	Lipoxygenase-1 (soybean) L754A mutant at 293K 分子名称: FE (II) ION, Seed linoleate 13S-lipoxygenase-1 著者 Poss, E.M, Fraser, J.S. 登録日 2016-10-24 公開日 2017-11-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Biophysical Characterization of a Disabled Double Mutant of Soybean Lipoxygenase: The "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and an Identified Dynamical Network. J.Am.Chem.Soc., 141, 2019
6FMF	Neuropilin-1 b1 domain in complex with EG01377; 2.8 Angstrom structure 分子名称: (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid, Neuropilin-1, trifluoroacetic acid 著者 Yelland, T, Djordjevic, S, Selwood, D, Zachary, I, Frankel, P. 登録日 2018-01-31 公開日 2018-10-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.811 Å) 主引用文献 Small Molecule Neuropilin-1 Antagonists Combine Antiangiogenic and Antitumor Activity with Immune Modulation through Reduction of Transforming Growth Factor Beta (TGF beta ) Production in Regulatory T-Cells. J. Med. Chem., 61, 2018
7R57	Escherichia coli type II Asparaginase N24S mutant in its apo form 分子名称: L-asparaginase 2 著者 Maggi, M, Scotti, C. 登録日 2022-02-10 公開日 2022-09-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structural Aspects of E. coli Type II Asparaginase in Complex with Its Secondary Product L-Glutamate. Int J Mol Sci, 23, 2022
8BHX	High resolution structure of the iron Superoxide Dismutase from Thermobifida fusca 分子名称: BORIC ACID, FE (III) ION, Superoxide dismutase 著者 Leiros, H.-K.S, Sorlie, M. 登録日 2022-11-01 公開日 2023-09-27 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Initial characterization of an iron superoxide dismutase from Thermobifida fusca. J.Biol.Inorg.Chem., 28, 2023
6G9M	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-(2-phenylpropan-2-yl)ethanamide, Mitogen-activated protein kinase 1, SULFATE ION 著者 O'Reilly, M. 登録日 2018-04-11 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
7R8P	Open form of SAOUHSC_02373 in complex with ADP, Mg2+ and Na+ 分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, CHLORIDE ION, ... 著者 Pederick, J.L, Bruning, J.B. 登録日 2021-06-27 公開日 2022-09-14 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Discovery of an ʟ-amino acid ligase implicated in Staphylococcal sulfur amino acid metabolism. J.Biol.Chem., 298, 2022
5TSA	Crystal structure of the Zrt-/Irt-like protein from Bordetella bronchiseptica with bound Zn2+ 分子名称: CADMIUM ION, Membrane protein, ZINC ION 著者 Zhang, T, Fellner, M, Sui, D, Liu, J, Hu, J. 登録日 2016-10-28 公開日 2017-09-20 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structures of a ZIP zinc transporter reveal a binuclear metal center in the transport pathway. Sci Adv, 3, 2017
6ZS4	Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate 分子名称: 1,2-ETHANEDIOL, Protein polybromo-1, tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate 著者 Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2020-07-15 公開日 2020-10-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
8Q9U	S-methylthiourocanate hydratase, variant R450A, from Variovorax sp. RA8 in complex with NAD+ 分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, urocanate hydratase 著者 Vasseur, C.M, Seebeck, F.P. 登録日 2023-08-21 公開日 2024-03-06 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure and Substrate Specificity of S -Methyl Thiourocanate Hydratase. Acs Chem.Biol., 19, 2024
6R5V	The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with xylotriose 分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ... 著者 Batuecas, M.T, Hermoso, J.A. 登録日 2019-03-25 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation. Acs Chem.Biol., 15, 2020
7RP8	X-ray crystal structure of OXA-24/40 K84D in complex with imipenem 分子名称: Beta-lactamase, Imipenem, SULFATE ION 著者 Powers, R.A, Mitchell, J.M, June, C.M. 登録日 2021-08-03 公開日 2022-07-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40. J.Biol.Chem., 298, 2022
7MLS	X-ray crystal structure of human BRD4(D1) in complex with 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine (compound 23) 分子名称: 1,2-ETHANEDIOL, 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine, Bromodomain-containing protein 4, ... 著者 Cui, H, Johnson, J.A, Zahid, H, Buchholz, C.R, Shi, K, Aihara, H, Pomerantz, W.C.K. 登録日 2021-04-28 公開日 2021-07-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity. J.Med.Chem., 64, 2021
6R9R	Crystal structure of Csx1 in complex with cyclic oligoadenylate cOA4 conformation 2 分子名称: CRISPR-associated (Cas) DxTHG family, circular RNA (5'-R(P*AP*AP*AP*A)-3') 著者 Molina, R, Montoya, G, Sofos, N, Stella, S. 登録日 2019-04-03 公開日 2019-10-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structure of Csx1-cOA4complex reveals the basis of RNA decay in Type III-B CRISPR-Cas. Nat Commun, 10, 2019
7R9X	Crystal structure of a dehydrating condensation domain, AmbE-CmodAA, involved in nonribosomal peptide synthesis 分子名称: AmbE, IODIDE ION, SODIUM ION 著者 Fortinez, C.M, Schmeing, T.M. 登録日 2021-06-29 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 Structure and Function of a Dehydrating Condensation Domain in Nonribosomal Peptide Biosynthesis. J.Am.Chem.Soc., 144, 2022
8BPT	Crystal structure of the second bromodomain of BRD5 from Leishmania donovani 分子名称: Bromo domain-containing protein 著者 Wilkinson, A.J, Dodson, E.J, Jones, N.G, Borgia, J. 登録日 2022-11-17 公開日 2023-09-27 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Bromodomain Factor 5 as a Target for Antileishmanial Drug Discovery. Acs Infect Dis., 9, 2023
5TTD	Minor pilin FctB from S. pyogenes with engineered intramolecular isopeptide bond 分子名称: FORMIC ACID, Maltose-binding periplasmic protein,Pilin isopeptide linkage domain protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose 著者 Young, P.G, Kwon, H, Squire, C.J, Baker, E.N. 登録日 2016-11-02 公開日 2017-03-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Engineering a Lys-Asn isopeptide bond into an immunoglobulin-like protein domain enhances its stability. Sci Rep, 7, 2017
7RGX	Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-b-D-talopyranoside 分子名称: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-(2-nitrobenzoyl)-beta-D-talopyranoside 著者 Bum-Erdene, K, Kishor, C, Blanchard, H. 登録日 2021-07-15 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia. J.Med.Chem., 65, 2022
6IEZ	Crystal structure of CERT START domain in complex with compound B16 分子名称: 2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol, LIPID-TRANSFER PROTEIN CERT 著者 Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. 登録日 2018-09-18 公開日 2019-02-27 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT Commun Chem, 2019
6GBP	Crystal Structure of the oligomerization domain of VP35 from Ebola virus, mercury derivative 分子名称: MERCURY (II) ION, Polymerase cofactor VP35 著者 Zinzula, L, Nagy, I, Orsini, M, Weyher-Stingl, E, Baumeister, W, Bracher, A. 登録日 2018-04-16 公開日 2018-10-10 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (3.49 Å) 主引用文献 Structures of Ebola and Reston Virus VP35 Oligomerization Domains and Comparative Biophysical Characterization in All Ebolavirus Species. Structure, 27, 2019

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