PDB: 31489 件ウェブページステータス検索Chemie searchBIRD

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5MU2	ACC1 Fab fragment in complex with CII583-591 (CG10) 分子名称: ACC1 Fab fragment heavy chain, ACC1 Fab fragment light chain, synthetic peptide containing the CII583-591 epitope of collagen type II 著者 Dobritzsch, D, Holmdahl, R, Ge, C. 登録日 2017-01-12 公開日 2017-07-19 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage. JCI Insight, 2, 2017
6THU	Crystal structure of the SVS_A2 protein (A224I mutant) from ancestral sequence reconstruction at 2.6 A resolution 分子名称: SVS_AS10 variant 著者 Rudraraju, R, Schnell, R, Schneider, G. 登録日 2019-11-21 公開日 2020-12-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase. J.Am.Chem.Soc., 143, 2021
5MX9	High resolution crystal structure of the MCR-2 catalytic domain 分子名称: GLYCEROL, Phosphatidylethanolamine transferase Mcr-2, ZINC ION 著者 Hinchliffe, P, Coates, K, Walsh, T.R, Spencer, J. 登録日 2017-01-22 公開日 2017-08-09 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 1.12 angstrom resolution crystal structure of the catalytic domain of the plasmid-mediated colistin resistance determinant MCR-2. Acta Crystallogr F Struct Biol Commun, 73, 2017
5MXJ	Structure of the Y108F mutant of vanillyl alcohol oxidase 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Vanillyl-alcohol oxidase 著者 Ewing, T.A, Nguyen, Q.-T, Allan, R.C, Gygli, G, Romero, E, Binda, C, Fraaije, M.W, Mattevi, A, van Berkel, W.J.H. 登録日 2017-01-23 公開日 2017-07-26 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Two tyrosine residues, Tyr-108 and Tyr-503, are responsible for the deprotonation of phenolic substrates in vanillyl-alcohol oxidase. J. Biol. Chem., 292, 2017
5MVN	X-ray structure of the M205W mutant of GLIC in complex with propofol 分子名称: 2,6-BIS(1-METHYLETHYL)PHENOL, ACETATE ION, CHLORIDE ION, ... 著者 Fourati, Z, Delarue, M. 登録日 2017-01-16 公開日 2018-02-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.49 Å) 主引用文献 Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels. Cell Rep, 23, 2018
6TIY	DROSOPHILA GMPCPP-TUBULIN 分子名称: GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... 著者 Gigant, B. 登録日 2019-11-22 公開日 2021-01-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.293 Å) 主引用文献 GTP-dependent formation of straight tubulin oligomers leads to microtubule nucleation. J.Cell Biol., 220, 2021
5MWF	Human Jagged2 C2-EGF2 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... 著者 Suckling, R.J, Handford, P.A, Lea, S.M. 登録日 2017-01-18 公開日 2017-06-14 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands. EMBO J., 36, 2017
6TMC	VIM-2_1dh-Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases 分子名称: 4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{H}-1,2,3-triazole, Beta-lactamase class B VIM-2, HYDROXIDE ION, ... 著者 Leiros, H.-K.S, Christopeit, T. 登録日 2019-12-04 公開日 2020-07-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structural studies of triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases. Bioorg.Med.Chem., 28, 2020
5MXK	Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7G9. 分子名称: 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, ~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide 著者 Mendes, V, Chan, D.S.-H, Thomas, S.E, McConnell, B, Matak-Vinkovic, D, Coyne, A.G, Abell, C, Blundell, T.L. 登録日 2017-01-23 公開日 2017-05-31 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.932 Å) 主引用文献 Fragment Screening against the EthR-DNA Interaction by Native Mass Spectrometry. Angew. Chem. Int. Ed. Engl., 56, 2017
6TQW	Crystal structure of ribonucleotide reductase NrdF from Bacillus anthracis anaerobically soaked with Fe(II) and Mn(II) ions 分子名称: MANGANESE (II) ION, Ribonucleoside-diphosphate reductase subunit beta, SULFATE ION 著者 Grave, K, Hogbom, M. 登録日 2019-12-17 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 The Bacillus anthracis class Ib ribonucleotide reductase subunit NrdF intrinsically selects manganese over iron. J.Biol.Inorg.Chem., 25, 2020
5MY0	KS-MAT DI-DOMAIN OF MOUSE FAS WITH MALONYL-COA 分子名称: COENZYME A, Fatty acid synthase, MALONYL-COENZYME A 著者 Paithankar, K.S, Rittner, A, Huu, K.V, Grininger, M. 登録日 2017-01-25 公開日 2018-01-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.94 Å) 主引用文献 Characterization of the Polyspecific Transferase of Murine Type I Fatty Acid Synthase (FAS) and Implications for Polyketide Synthase (PKS) Engineering. ACS Chem. Biol., 13, 2018
6TRV	Structure of SapL1 lectin in complex with alpha methyl fucoside 分子名称: GLYCEROL, SULFATE ION, Uncharacterized protein, ... 著者 Martinez Alarcon, D, Varrot, A. 登録日 2019-12-19 公開日 2020-12-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Biochemical and structural studies of target lectin SapL1 from the emerging opportunistic microfungus Scedosporium apiospermum. Sci Rep, 11, 2021
6TSE	Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C 分子名称: 1-methylindole-2,3-dione, MAGNESIUM ION, Tyrosine-protein kinase BTK, ... 著者 Brear, P, Wagstaff, J, Hyvonen, M. 登録日 2019-12-20 公開日 2020-11-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C To Be Published
6TOF	Crystal structure of human BCL6 BTB domain in complex with compound 4 分子名称: 1,2-ETHANEDIOL, 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Shetty, K, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2019-12-11 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J.Med.Chem., 63, 2020
5MWZ	Crystal structure of the human BRPF1 bromodomain in complex with BZ073 分子名称: Peregrin, ~{N}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide 著者 Zhu, J, Caflisch, A. 登録日 2017-01-20 公開日 2018-02-14 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Structure-based discovery of selective BRPF1 bromodomain inhibitors. Eur J Med Chem, 155, 2018
6TSZ	The ULK4 Pseudokinase Domain Bound To ATPgammaS 分子名称: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase ULK4 著者 Preuss, F, Chatterjee, D, Mathea, S, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S. 登録日 2019-12-22 公開日 2020-01-01 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Nucleotide Binding, Evolutionary Insights, and Interaction Partners of the Pseudokinase Unc-51-like Kinase 4. Structure, 28, 2020
6TT3	Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in complex with SG6. 分子名称: (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Cozier, G.E, Acharya, K.R. 登録日 2019-12-23 公開日 2020-04-01 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 ACE-domain selectivity extends beyond direct interacting residues at the active site. Biochem.J., 477, 2020
6TOK	Crystal structure of human BCL6 BTB domain in complex with compound 23d 分子名称: 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2019-12-11 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J.Med.Chem., 63, 2020
5MUL	Glycoside Hydrolase BT3686 bound to Glucuronic Acid 分子名称: Neuraminidase, beta-D-glucopyranuronic acid 著者 Munoz-Munoz, J, Cartmell, A, Terrapon, N, Henrissat, B, Gilbert, H.J. 登録日 2017-01-13 公開日 2017-04-26 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Unusual active site location and catalytic apparatus in a glycoside hydrolase family. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5MXQ	Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-90 Inhibitor 分子名称: 3-(phenylsulfonylamino)pyridine-2-carboxylic acid, ACETATE ION, Beta-lactamase VIM-2, ... 著者 Docquier, J.D, De Luca, F, Benvenuti, M, Di Pisa, F, Pozzi, C, Mangani, S. 登録日 2017-01-24 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model. Acs Infect Dis., 5, 2019
5MVQ	Crystal structure of an unmodified, self-complementary dodecamer. 分子名称: DNA, MAGNESIUM ION 著者 Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T. 登録日 2017-01-17 公開日 2017-05-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.604 Å) 主引用文献 5-Formylcytosine does not change the global structure of DNA. Nat. Struct. Mol. Biol., 24, 2017
6TQ5	Alcohol dehydrogenase from Candida magnoliae DSMZ 70638 (ADHA): complex with NADP+ 分子名称: Enzyme subunit, GLYCEROL, ISOPROPYL ALCOHOL, ... 著者 Rovida, S, Aalbers, F.S, Fraaije, M.W, Mattevi, A. 登録日 2019-12-16 公開日 2020-04-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Approaching boiling point stability of an alcohol dehydrogenase through computationally-guided enzyme engineering. Elife, 9, 2020
5MVU	Crystal structure of an A-DNA dodecamer containing 5-formylcytosine in 3 consecutive CpG steps 分子名称: DNA 著者 Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T. 登録日 2017-01-17 公開日 2017-05-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 5-Formylcytosine does not change the global structure of DNA. Nat. Struct. Mol. Biol., 24, 2017
6TL4	Photosensory module (PAS-GAF-PHY) of Glycine max phyB 分子名称: PHYCOCYANOBILIN, Phytochrome 著者 Nagano, S, Guan, K, Shenkutie, S.M, Hughes, J.E. 登録日 2019-12-01 公開日 2020-05-06 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural insights into photoactivation and signalling in plant phytochromes. Nat.Plants, 6, 2020
5OM4	Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 1.86A obtained from in meso soaking experiments (24 hour soak). 分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... 著者 Rucktooa, P, Cheng, R.K.Y, Segala, E, Geng, T, Errey, J.C, Brown, G.A, Cooke, R, Marshall, F.H, Dore, A.S. 登録日 2017-07-28 公開日 2018-01-17 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals. Sci Rep, 8, 2018

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