PDB: 238582 件ウェブページステータス検索Chemie searchBIRD

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6H33	The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide. 分子名称: 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. 登録日 2018-07-17 公開日 2018-12-19 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018
6GWV	Molybdenum storage protein without polymolybdate clusters and ATP 分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Molybdenum storage protein subunit alpha, ... 著者 Ermler, U, Poppe, J, Bruenle, S. 登録日 2018-06-26 公開日 2018-11-07 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 The Molybdenum Storage Protein: A soluble ATP hydrolysis-dependent molybdate pump. FEBS J., 285, 2018
6H34	The crystal structure of human carbonic anhydrase II in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide. 分子名称: 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. 登録日 2018-07-17 公開日 2018-12-19 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018
5Z0A	ST0452(Y97N)-GlcNAc binding form 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dual sugar-1-phosphate nucleotidylyltransferase 著者 Honda, Y, Nakano, S, Ito, S, Dadashipour, M, Zhang, Z, Kawarabayasi, Y. 登録日 2017-12-19 公開日 2018-10-31 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Improvement of ST0452N-Acetylglucosamine-1-Phosphate Uridyltransferase Activity by the Cooperative Effect of Two Single Mutations Identified through Structure-Based Protein Engineering Appl. Environ. Microbiol., 84, 2018
6PU6	CobT from Methanocaldococcus jannaschii in complex with Alpha-Ribozole 5'-Phosphate, Nicotinic Acid, and Nicotinic Acid Mononucleotide 分子名称: ALPHA-RIBAZOLE-5'-PHOSPHATE, NICOTINATE MONONUCLEOTIDE, NICOTINIC ACID, ... 著者 Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I. 登録日 2019-07-17 公開日 2020-07-22 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (2.293 Å) 主引用文献 Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria. Sci Rep, 12, 2022
5J76	Structure of Lectin from Colocasia esculenta(L.) Schott 分子名称: 12kD storage protein, GLYCEROL 著者 Vajravijayan, S, Pletnev, S, Nandhagopal, N, Gunasekaran, K. 登録日 2016-04-06 公開日 2016-06-22 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural analysis of beta-prism lectin from Colocasia esculenta (L.) S chott. Int.J.Biol.Macromol., 91, 2016
6H36	The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide. 分子名称: 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 7, ZINC ION 著者 Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. 登録日 2018-07-17 公開日 2018-12-19 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018
6H86	Rebuilt and re-refined PDB entry 4R3Q: Crystal structure of SYCE3 分子名称: Synaptonemal complex central element protein 3 著者 Davies, O.R. 登録日 2018-08-02 公開日 2019-05-08 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.901 Å) 主引用文献 A molecular model for self-assembly of the synaptonemal complex protein SYCE3. J.Biol.Chem., 294, 2019
8VP4	Crystal Structure of JF1cpCasp2 with Peptide Inhibitor AcVDVAD-CHO 分子名称: AcVDVAD-CHO, JF1cpCasp2 著者 Fuller, J.L, Shi, K, Walters, M.A, Finzel, B.C. 登録日 2024-01-16 公開日 2025-04-09 最終更新日 2025-04-30 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Reengineering of Circularly Permuted Caspase-2 to Enhance Enzyme Stability and Enable Crystallographic Studies. Acs Chem.Biol., 20, 2025
6H38	The crystal structure of human carbonic anhydrase VII in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide. 分子名称: 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ... 著者 Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. 登録日 2018-07-17 公開日 2018-12-19 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018
6H37	The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide 分子名称: 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 7, ZINC ION 著者 Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. 登録日 2018-07-17 公開日 2018-12-19 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018
8WQ9	Crystal structure of dihydropyrimidinase complexed with gamma-aminobutyric acid 分子名称: D-hydantoinase/dihydropyrimidinase, GAMMA-AMINO-BUTANOIC ACID, ZINC ION 著者 Huang, Y.H, Huang, C.Y. 登録日 2023-10-11 公開日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 The complexed crystal structure of dihydropyrimidinase reveals a potential interactive link with the neurotransmitter gamma-aminobutyric acid (GABA). Biochem.Biophys.Res.Commun., 692, 2024
5J1D	X-ray crystal structure of Phosphate binding protein (PBP) from Stenotrophomonas maltophilia 分子名称: GLYCEROL, PHOSPHATE ION, Phosphate binding protein 著者 Hatti, K, Gulati, A, Narayanswamy, S, Murthy, M.R.N. 登録日 2016-03-29 公開日 2016-10-05 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Determination of crystal structures of proteins of unknown identity using a marathon molecular replacement procedure: structure of Stenotrophomonas maltophilia phosphate-binding protein. Acta Crystallogr D Struct Biol, 72, 2016
5ZQV	Crystal Structure of Protein Phosphate 1 complexed with PP1 binding domain of GM 分子名称: CITRATE ANION, MANGANESE (II) ION, Protein phosphatase 1 regulatory subunit 3A, ... 著者 Yu, J, Xiang, S. 登録日 2018-04-20 公開日 2019-03-13 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 Structural basis for protein phosphatase 1 recruitment by glycogen-targeting subunits. FEBS J., 285, 2018
6EVG	Structural and Functional Characterisation of a Bacterial Laccase-like Multi-copper Oxidase CueO from Lignin-Degrading Bacterium Ochrobactrum sp. with Oxidase Activity towards Lignin Model Compounds and Lignosulfonate 分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, Multi-copper Oxidase CueO 著者 Fulop, V, Wilkinson, R. 登録日 2017-11-01 公開日 2018-04-11 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Structural and functional characterisation of multi-copper oxidase CueO from lignin-degrading bacterium Ochrobactrum sp. reveal its activity towards lignin model compounds and lignosulfonate. FEBS J., 285, 2018
3TPJ	APO structure of BACE1 分子名称: Beta-secretase 1, CHLORIDE ION, SULFATE ION, ... 著者 Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. 登録日 2011-09-08 公開日 2011-11-23 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations Acta Crystallogr.,Sect.D, 68, 2012
5DOW	Solution of the Variably-Twinned Structure of a Novel Calmodulin-Peptide Complex in a Novel Configuration 分子名称: CALCIUM ION, CHLORIDE ION, Calmodulin, ... 著者 Keller, J.P. 登録日 2015-09-11 公開日 2016-08-10 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Solution of the structure of a calmodulin-peptide complex in a novel configuration from a variably twinned data set. Acta Crystallogr D Struct Biol, 73, 2017
3TPL	APO Structure of BACE1 分子名称: Beta-secretase 1, CHLORIDE ION, SULFATE ION 著者 Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. 登録日 2011-09-08 公開日 2011-11-23 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations Acta Crystallogr.,Sect.D, 68, 2012
7RHO	Human IgG1 Fc fragment, hinge-free, expressed in E. coli 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fc fragment of human IgG1 著者 Gallagher, D.T. 登録日 2021-07-18 公開日 2022-11-09 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Effects of glycans and hinge on dynamics in the IgG1 Fc. J.Biomol.Struct.Dyn., 2023
7PUX	Structure of p97 N-D1(L198W) in complex with Fragment TROLL2 分子名称: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... 著者 Bothe, S, Schindelin, H. 登録日 2021-10-01 公開日 2022-12-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97 Commun Chem, 5, 2022
6CXD	Crystal structure of peptidase B from Yersinia pestis CO92 at 2.75 A resolution 分子名称: Peptidase B, SULFATE ION 著者 Woinska, M, Lipowska, J, Shabalin, I.G, Cymborowski, M, Grimshaw, S, Winsor, J, Shuvalova, L, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2018-04-02 公開日 2018-04-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain. Febs J., 287, 2020
6XR3	X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A 分子名称: 3C-like proteinase, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide 著者 Anson, B, Ghosh, A.K, Mesecar, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2020-07-10 公開日 2020-08-19 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A To Be Published
9G6U	p53-Y220C Core Domain Covalently Bound to 3,5-Dichloro-6-Ethylpyrazine-2-carbonitirle Soaked at 5 mM 分子名称: 1,2-ETHANEDIOL, 3,5-bis(chloranyl)-6-ethyl-pyrazine-2-carbonitrile, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Stahlecker, J, Klett, T, Stehle, T, Boeckler, F.M. 登録日 2024-07-19 公開日 2025-06-11 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 SNAr Reactive Pyrazine Derivatives as p53-Y220C Cleft Binders with Diverse Binding Modes Drug Des Devel Ther, 2025
3T94	Crystal structure of 5'-deoxy-5'-methylthioadenosine phosphorylase (MTAP) II complexed with 5'-deoxy-5'-methylthioadenosine and sulfate 分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5'-methylthioadenosine phosphorylase (MtaP), SULFATE ION 著者 Zhang, Y, Ealick, S.E. 登録日 2011-08-02 公開日 2011-08-24 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (1.452 Å) 主引用文献 A corrected space group for Sulfolobus sulfataricus 5'-deoxy-5'-methylthioadenosine phosphorylase II. Acta Crystallogr.,Sect.D, 68, 2012
6DSS	Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase 分子名称: Orotidine 5'-monophosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE 著者 Brandt, G.S, Novak, W.R.P. 登録日 2018-06-14 公開日 2018-10-17 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.599 Å) 主引用文献 Re-refinement of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase provides a clearer picture of an important malarial drug target. Acta Crystallogr F Struct Biol Commun, 74, 2018

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