5K4H
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5JXU
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![BU of 5jxu by Molmil](/molmil-images/mine/5jxu) | Structural basis for the catalytic activity of Thermomonospora curvata heme-containing DyP-type peroxidase. | 分子名称: | Dyp-type peroxidase family, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Ramyar, K.X, Carlson, E.A, Li, P, Geisbrecht, B.V. | 登録日 | 2016-05-13 | 公開日 | 2016-10-19 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.751 Å) | 主引用文献 | Identification of Surface-Exposed Protein Radicals and A Substrate Oxidation Site in A-Class Dye-Decolorizing Peroxidase from Thermomonospora curvata. ACS Catal, 6, 2016
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8DLI
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![BU of 8dli by Molmil](/molmil-images/mine/8dli) | Cryo-EM structure of SARS-CoV-2 Alpha (B.1.1.7) spike protein | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S. | 登録日 | 2022-07-08 | 公開日 | 2022-08-31 | 実験手法 | ELECTRON MICROSCOPY (2.56 Å) | 主引用文献 | SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization. Nat Commun, 13, 2022
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8A9L
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![BU of 8a9l by Molmil](/molmil-images/mine/8a9l) | Cryo-EM structure of alpha-synuclein filaments from Parkinson's disease and dementia with Lewy bodies | 分子名称: | Alpha-synuclein, Unknown fragment | 著者 | Yang, Y, Shi, Y, Schweighauser, M, Zhang, X.J, Kotecha, A, Murzin, A.G, Garringer, H.J, Cullinane, P, Saito, Y, Foroud, T, Warner, T.T, Hasegawa, K, Vidal, R, Murayama, S, Revesz, T, Ghetti, B, Hasegawa, M, Lashley, T, Scheres, H.W.S, Goedert, M. | 登録日 | 2022-06-28 | 公開日 | 2022-08-31 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | 主引用文献 | Structures of alpha-synuclein filaments from human brains with Lewy pathology. Nature, 610, 2022
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5JYV
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5K05
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![BU of 5k05 by Molmil](/molmil-images/mine/5k05) | Crystal Structure of COMT in complex with 4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole | 分子名称: | 4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole, Catechol O-methyltransferase, SULFATE ION | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | 登録日 | 2016-05-17 | 公開日 | 2016-09-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
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4RG7
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6EIT
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5K0F
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![BU of 5k0f by Molmil](/molmil-images/mine/5k0f) | Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ... | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | 登録日 | 2016-05-17 | 公開日 | 2016-09-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
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8DLZ
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![BU of 8dlz by Molmil](/molmil-images/mine/8dlz) | Cryo-EM structure of SARS-CoV-2 D614G spike protein in complex with VH ab6 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | 著者 | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S. | 登録日 | 2022-07-08 | 公開日 | 2022-08-31 | 実験手法 | ELECTRON MICROSCOPY (2.57 Å) | 主引用文献 | SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization. Nat Commun, 13, 2022
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4QTL
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![BU of 4qtl by Molmil](/molmil-images/mine/4qtl) | Crystal structure of human carbonic anhydrase isozyme II with inhibitor | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2014-07-08 | 公開日 | 2015-04-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
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6HZU
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![BU of 6hzu by Molmil](/molmil-images/mine/6hzu) | HUMAN JAK1 IN COMPLEX WITH LASW1393 | 分子名称: | 2-[4-[8-oxidanylidene-2-[(~{E})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{H}-purin-9-yl]cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1 | 著者 | Lozoya, E, Segarra, V, Bach, J, Jestel, A, Lammens, A, Blaesse, M. | 登録日 | 2018-10-24 | 公開日 | 2019-10-23 | 最終更新日 | 2019-11-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases. J.Med.Chem., 62, 2019
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7REF
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![BU of 7ref by Molmil](/molmil-images/mine/7ref) | Structure of MS3494 from Mycobacterium smegmatis | 分子名称: | BROMIDE ION, MS3494 | 著者 | Kent, J.E, Aleshin, A.E, Zhang, L, Niederweis, M, Marassi, F.M. | 登録日 | 2021-07-12 | 公開日 | 2021-08-18 | 最終更新日 | 2022-06-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A periplasmic cinched protein is required for siderophore secretion and virulence of Mycobacterium tuberculosis. Nat Commun, 13, 2022
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5K0R
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![BU of 5k0r by Molmil](/molmil-images/mine/5k0r) | Crystal structure of reduced Shewanella Yellow Enzyme 4 (SYE4) | 分子名称: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, NAD(P)H:flavin oxidoreductase Sye4, Octadecane | 著者 | Elegheert, J, Brige, A, Savvides, S.N. | 登録日 | 2016-05-17 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structural dissection of Shewanella oneidensis old yellow enzyme 4 bound to a Meisenheimer complex and (nitro)phenolic ligands. FEBS Lett., 591, 2017
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5K0U
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![BU of 5k0u by Molmil](/molmil-images/mine/5k0u) | CryoEM structure of the full virion of a human rhinovirus C | 分子名称: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | 著者 | Liu, Y, Hill, M.G, Klose, T, Chen, Z, Watters, K.E, Jiang, W, Palmenberg, A.C, Rossmann, M.G. | 登録日 | 2016-05-17 | 公開日 | 2016-07-13 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (2.79 Å) | 主引用文献 | Atomic structure of a rhinovirus C, a virus species linked to severe childhood asthma. Proc.Natl.Acad.Sci.USA, 113, 2016
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6EGR
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![BU of 6egr by Molmil](/molmil-images/mine/6egr) | Crystal structure of Citrobacter freundii methionine gamma-lyase with V358Y replacement | 分子名称: | DI(HYDROXYETHYL)ETHER, Methionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Revtovich, S.V, Demitri, N, Raboni, S, Nikulin, A.D, Morozova, E.A, Demidkina, T.V, Storici, P, Mozzarelli, A. | 登録日 | 2017-09-12 | 公開日 | 2018-10-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Engineering methionine gamma-lyase from Citrobacter freundii for anticancer activity. Biochim Biophys Acta Proteins Proteom, 1866, 2018
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4QUP
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![BU of 4qup by Molmil](/molmil-images/mine/4qup) | Crystal structure of stachydrine demethylase with N-methyl proline from low X-ray dose composite datasets | 分子名称: | 1-methyl-L-proline, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COBALT HEXAMMINE(III), ... | 著者 | Agarwal, R, Andi, B, Gizzi, A, Bonanno, J.B, Almo, S.C, Orville, A.M. | 登録日 | 2014-07-11 | 公開日 | 2015-07-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Tracking photoelectron induced in-crystallo enzyme catalysis To be Published
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6S0J
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![BU of 6s0j by Molmil](/molmil-images/mine/6s0j) | Structure of Zika virus NS3 helicase in complex with ADP-MgF3(H2O)- | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Genome polyprotein, MAGNESIUM ION, ... | 著者 | Ge, M, Molt Jr, R.W, Jenkins, H.T, Blackburn, G.M, Jin, Y, Antson, A.A. | 登録日 | 2019-06-16 | 公開日 | 2020-07-15 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Octahedral Trifluoromagnesate, an Anomalous Metal Fluoride Species, Stabilizes the Transition State in a Biological Motor. Acs Catalysis, 11, 2021
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6EH2
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![BU of 6eh2 by Molmil](/molmil-images/mine/6eh2) | Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and AMP | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, cAMP-dependent protein kinase catalytic subunit alpha, ... | 著者 | Mueller, J.M, Heine, A, Klebe, G. | 登録日 | 2017-09-12 | 公開日 | 2018-10-10 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
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4R71
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![BU of 4r71 by Molmil](/molmil-images/mine/4r71) | Structure of the Qbeta holoenzyme complex in the P1211 crystal form | 分子名称: | 30S ribosomal protein S1, Elongation factor Ts, Elongation factor Tu, ... | 著者 | Gytz, H, Seweryn, P, Kutlubaeva, Z, Chetverin, A.B, Brodersen, D.E, Knudsen, C.R. | 登録日 | 2014-08-26 | 公開日 | 2015-09-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.21 Å) | 主引用文献 | Structural basis for RNA-genome recognition during bacteriophage Q beta replication. Nucleic Acids Res., 43, 2015
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4QX3
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![BU of 4qx3 by Molmil](/molmil-images/mine/4qx3) | Cry3A Toxin structure obtained by injecting Bacillus thuringiensis cells in an XFEL beam, collecting data by serial femtosecond crystallographic methods and processing data with the CrystFEL software suite | 分子名称: | Pesticidal crystal protein cry3Aa | 著者 | Sawaya, M.R, Cascio, D, Gingery, M, Rodriguez, J, Goldschmidt, L, Colletier, J.-P, Messerschmidt, M, Boutet, S, Koglin, J.E, Williams, G.J, Brewster, A.S, Nass, K, Hattne, J, Botha, S, Doak, R.B, Shoeman, R.L, DePonte, D.P, Park, H.-W, Federici, B.A, Sauter, N.K, Schlichting, I, Eisenberg, D. | 登録日 | 2014-07-17 | 公開日 | 2014-08-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Protein crystal structure obtained at 2.9 angstrom resolution from injecting bacterial cells into an X-ray free-electron laser beam. Proc.Natl.Acad.Sci.USA, 111, 2014
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8ACL
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![BU of 8acl by Molmil](/molmil-images/mine/8acl) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14 | 分子名称: | (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Strater, N, Muller, C, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | 登録日 | 2022-07-05 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity. J.Med.Chem., 65, 2022
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6RTZ
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6U83
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![BU of 6u83 by Molmil](/molmil-images/mine/6u83) | OmpA-like domain of FopA1 from Francisella tularensis subsp. tularensis SCHU S4 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, D-ALANINE, Outer membrane associated protein, ... | 著者 | Michalska, K, Skarina, T, Stogios, P.J, Di Leo, R, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2019-09-04 | 公開日 | 2019-09-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3566 Å) | 主引用文献 | OmpA-like domain of FopA1 from Francisella tularensis subsp. tularensis SCHU S4 To Be Published
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6X7R
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![BU of 6x7r by Molmil](/molmil-images/mine/6x7r) | E. coli beta-ketoacyl-[acyl carrier protein] synthase III (FabH) in complex with oxa(dethia)-coenzyme A | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | 著者 | Benjamin, A.B, Stunkard, L.M, Ling, J, Nice, J.N, Lohman, J.R. | 登録日 | 2020-05-30 | 公開日 | 2021-06-02 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structures of chloramphenicol acetyltransferase III and Escherichia coli beta-keto-acylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(de-thia)CoA Acta Crystallogr.,Sect.F, 2023
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