PDB: 245011 件ウェブページステータス検索Chemie searchBIRD

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5XKQ	Crystal structure of Msmeg3575 in complex with ammeline 分子名称: 4,6-diamino-1,3,5-triazin-2-ol, ACETATE ION, CMP/dCMP deaminase, ... 著者 Gaded, V.M, Anand, R. 登録日 2017-05-09 公開日 2017-08-09 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Selective Deamination of Mutagens by a Mycobacterial Enzyme J. Am. Chem. Soc., 139, 2017
6A1N	Mandelate oxidase mutant-Y128F with (2R,3S)-3-fluoro-2-hydroxy-3-phenylpropanoic acid 分子名称: (2R,3S)-3-fluoro-2-hydroxy-3-phenylpropanoic acid, 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE, ... 著者 Li, T.L, Lin, K.H. 登録日 2018-06-07 公開日 2019-06-19 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.421 Å) 主引用文献 Structural and chemical trapping of flavin-oxide intermediates reveals substrate-directed reaction multiplicity. Protein Sci., 29, 2020
128L	THE ENERGETIC COST AND THE STRUCTURAL CONSEQUENCES OF BURYING A HYDROXYL GROUP WITHIN THE CORE OF A PROTEIN DETERMINED FROM ALA TO SER AND VAL TO THR SUBSTITUTIONS IN T4 LYSOZYME 分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME 著者 Blaber, M, Matthews, B.W. 登録日 1993-05-28 公開日 1993-10-31 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Energetic cost and structural consequences of burying a hydroxyl group within the core of a protein determined from Ala-->Ser and Val-->Thr substitutions in T4 lysozyme. Biochemistry, 32, 1993
5BNW	The active site of O-GlcNAc transferase imposes constraints on substrate sequence 分子名称: (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, laminB1 residues 179-191 著者 Pathak, S, Alonso, J, Schimpl, M, Rafie, K, Blair, D.E, Borodkin, V.S, Albarbarawi, O, van Aalten, D.M.F. 登録日 2015-05-26 公開日 2015-08-05 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 The active site of O-GlcNAc transferase imposes constraints on substrate sequence. Nat.Struct.Mol.Biol., 22, 2015
127L	THE ENERGETIC COST AND THE STRUCTURAL CONSEQUENCES OF BURYING A HYDROXYL GROUP WITHIN THE CORE OF A PROTEIN DETERMINED FROM ALA TO SER AND VAL TO THR SUBSTITUTIONS IN T4 LYSOZYME 分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME 著者 Blaber, M, Matthews, B.W. 登録日 1993-05-28 公開日 1993-10-31 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Energetic cost and structural consequences of burying a hydroxyl group within the core of a protein determined from Ala-->Ser and Val-->Thr substitutions in T4 lysozyme. Biochemistry, 32, 1993
6SZJ	RIP2 Kinase Catalytic Domain complex with 5amino1tertbutyl3(3methoxyphenyl)1H pyrazole4carboxamide. 分子名称: 5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2 著者 Convery, M.A, Charnley, A.K, Shewchuk, L. 登録日 2019-10-02 公開日 2019-12-04 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.53 Å) 主引用文献 Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors. Acs Med.Chem.Lett., 10, 2019
4XSL	Crystal strcutre of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with glycerol 分子名称: D-tagatose 3-epimerase, GLYCEROL, MANGANESE (II) ION 著者 Yoshida, H, Yoshihara, A, Ishii, T, Izumori, K, Kamitori, S. 登録日 2015-01-22 公開日 2016-01-27 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates Appl. Microbiol. Biotechnol., 100, 2016
4XAT	Crystal structure of the olfactomedin domain from noelin/pancortin/olfactomedin-1 分子名称: CALCIUM ION, GLYCEROL, Noelin, ... 著者 Hill, S.E, Nguyen, E, Lieberman, R.L. 登録日 2014-12-15 公開日 2015-07-15 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.113 Å) 主引用文献 Molecular Details of Olfactomedin Domains Provide Pathway to Structure-Function Studies. Plos One, 10, 2015
4MLE	Human Glucokinase in Complex with Novel Amino Thiazole Activator 分子名称: 3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine, Glucokinase, alpha-D-glucopyranose 著者 Voegtli, W.C. 登録日 2013-09-06 公開日 2013-09-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Identification of a New Class of Glucokinase Activators through Structure-Based Design. J.Med.Chem., 56, 2013
173L	PROTEIN FLEXIBILITY AND ADAPTABILITY SEEN IN 25 CRYSTAL FORMS OF T4 LYSOZYME 分子名称: BETA-MERCAPTOETHANOL, T4 LYSOZYME 著者 Xiong, X.-P, Zhang, X.-J, Sun, D, Matthews, B.W. 登録日 1995-03-24 公開日 1995-07-10 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Protein flexibility and adaptability seen in 25 crystal forms of T4 lysozyme. J.Mol.Biol., 250, 1995
4BXN	Eg5(WT) complex 分子名称: ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, CHLORIDE ION, ... 著者 Talapatra, S.K, Anthony, N.G, Mackay, S.P, Kozielski, F. 登録日 2013-07-15 公開日 2013-07-31 最終更新日 2025-10-01 実験手法 X-RAY DIFFRACTION (2.793 Å) 主引用文献 The Mitotic Kinesin Eg5 Overcomes Inhibition to the Phase I/II Clinical Candidate Sb743921 by an Allosteric Resistance Mechanism. J.Med.Chem., 56, 2013
177L	Protein flexibility and adaptability seen in 25 crystal forms of T4 LYSOZYME 分子名称: T4 LYSOZYME 著者 Matsumura, M, Weaver, L, Zhang, X.-J, Matthews, B.W. 登録日 1995-03-24 公開日 1995-07-10 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Protein flexibility and adaptability seen in 25 crystal forms of T4 lysozyme. J.Mol.Biol., 250, 1995
5BSW	Crystal structure of 4-coumarate:CoA ligase delta-V341 mutant complexed with feruloyl adenylate 分子名称: 4-coumarate--CoA ligase 2, 5'-O-[(R)-hydroxy{[(2E)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine 著者 Li, Z, Nair, S.K. 登録日 2015-06-02 公開日 2016-05-11 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase. Structure, 23, 2015
4XX4	Renin in complex with (4S)-4-isopropyl-4-methyl-6-oxo-1-(3-(2-oxo-4-phenylpyrrolidin-1-yl)benzyl)tetrahydropyrimidin-2(1H)-iminium 分子名称: (2Z,6S)-2-imino-6-methyl-3-{3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin 著者 Orth, P. 登録日 2015-01-29 公開日 2015-02-18 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors. Bioorg. Med. Chem. Lett., 25, 2015
4C1W	Carbohydrate binding domain from Streptococcus pneumoniae NanA sialidase complexed with 3'-sialyllactose 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, NEURAMINIDASE 著者 Yang, L, Connaris, H, Potter, J.A, Taylor, G.L. 登録日 2013-08-14 公開日 2014-08-27 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Prevention of Influenza by Targeting Host Receptors Using Engineered Proteins. Proc.Natl.Acad.Sci.USA, 111, 2014
5BUH	Influenza PB2 bound to a hydroxymethyl azaindole inhibitor 分子名称: N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide, Polymerase basic protein 2 著者 Jacobs, M.D. 登録日 2015-06-03 公開日 2016-06-08 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza. ACS Med Chem Lett, 8, 2017
5ZU4	Crystal structure of Lamprey immune protein 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Li, Q.W, Pang, Y. 登録日 2018-05-06 公開日 2019-06-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 Structure of a pore-forming protein To Be Published
4MLH	Human Glucokinase in Complex with a Novel Amino Thiazole Allosteric Activator 分子名称: 3-(benzyloxy)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine, Glucokinase, alpha-D-glucopyranose 著者 Voegtli, W.C. 登録日 2013-09-06 公開日 2013-09-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Identification of a New Class of Glucokinase Activators through Structure-Based Design. J.Med.Chem., 56, 2013
5APJ	Ligand complex of RORg LBD 分子名称: 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, NUCLEAR RECEPTOR COACTIVATOR 2, NUCLEAR RECEPTOR ROR-GAMMA, ... 著者 Xue, Y, Aagaard, A, Narjes, F. 登録日 2015-09-16 公開日 2015-11-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma. ChemMedChem, 11, 2016
4CF8	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: (2S)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(phenylmethyl)carbamoyl]phenyl]methylamino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, 1,2-ETHANEDIOL, ACETIC ACID, ... 著者 Peat, T.S. 登録日 2013-11-14 公開日 2013-12-11 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CCV	Crystal structure of histidine-rich glycoprotein N2 domain reveals redox activity at an interdomain disulfide bridge: Implications for the regulation of angiogenesis 分子名称: GLUTATHIONE, GLYCEROL, HISTIDINE-RICH GLYCOPROTEIN, ... 著者 McMahon, S.A, Kassaar, O, Stewart, A.J, Naismith, J.H. 登録日 2013-10-29 公開日 2014-02-19 最終更新日 2025-04-09 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Crystal Structure of Histidine-Rich Glycoprotein N2 Domain Reveals Redox Activity at an Interdomain Disulfide Bridge: Implications for Angiogenic Regulation. Blood, 123, 2014
9HJ3	Bacteroides thetaiotaomicron BAM complex 分子名称: (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, DUF4270 domain-containing protein, DUF4827 domain-containing protein, ... 著者 Silale, A, van den Berg, B. 登録日 2024-11-27 公開日 2025-08-27 最終更新日 2025-11-19 実験手法 ELECTRON MICROSCOPY (3.46 Å) 主引用文献 Structure of a distinct beta-barrel assembly machinery complex in the Bacteroidota. Nat Microbiol, 10, 2025
5AN7	Structure of the engineered retro-aldolase RA95.5-8F with a bound 1,3-diketone inhibitor 分子名称: (2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one, PHOSPHATE ION, RA95.5-8F 著者 Obexer, R, Mittl, P.R.E, Hilvert, D. 登録日 2015-09-04 公開日 2016-08-17 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Emergence of a catalytic tetrad during evolution of a highly active artificial aldolase. Nat Chem, 9, 2017
9GS0	Capsid of full Haloferax tailed virus 1 without turret head protein gp31. 分子名称: Capsid stabilization protein, Gp30, HK97 gp5-like major capsid protein, ... 著者 Zhang, D, Daum, B, Isupov, M.N, McLaren, M, Stuart, W. 登録日 2024-09-13 公開日 2025-08-27 最終更新日 2025-10-22 実験手法 ELECTRON MICROSCOPY (2.37 Å) 主引用文献 Cryo-EM resolves the structure of the archaeal dsDNA virus HFTV1 from head to tail. Sci Adv, 11, 2025
2WJK	Bacteriorhodopsin mutant E204D 分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL 著者 Potschies, M, Hofmann, E, Gerwert, K. 登録日 2009-05-27 公開日 2010-08-25 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Directional proton transfer in membrane proteins achieved through protonated protein-bound water molecules: a proton diode. Angew. Chem. Int. Ed. Engl., 49, 2010

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