7NUI
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7PVO
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6LYL
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![BU of 6lyl by Molmil](/molmil-images/mine/6lyl) | Crystal structure of S1052D mutant of Formylglycinamidine synthetase | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | 著者 | Sharma, N, Tanwar, A.S, Anand, R. | 登録日 | 2020-02-14 | 公開日 | 2021-02-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Mechanism of Coordinated Gating and Signal Transduction in Purine Biosynthetic Enzyme Formylglycinamidine Synthetase. Acs Catalysis, 12, 2022
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6YF5
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8PVO
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![BU of 8pvo by Molmil](/molmil-images/mine/8pvo) | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FG5 | 分子名称: | 1,2-ETHANEDIOL, 2-[1-(1,3-benzothiazol-6-ylsulfonyl)piperidin-4-yl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine, Casein kinase II subunit alpha, ... | 著者 | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2023-07-18 | 公開日 | 2023-09-20 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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6YG4
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6Y88
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5MFL
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![BU of 5mfl by Molmil](/molmil-images/mine/5mfl) | Designed armadillo repeat protein (KR)5_GS10_YIIIM6AII | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, (KR)5_GS10_YIIIM6AII, 1,2-ETHANEDIOL, ... | 著者 | Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A. | 登録日 | 2016-11-18 | 公開日 | 2017-09-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Curvature of designed armadillo repeat proteins allows modular peptide binding. J. Struct. Biol., 201, 2018
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8PG0
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![BU of 8pg0 by Molmil](/molmil-images/mine/8pg0) | Human OATP1B3 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHOLESTEROL, ... | 著者 | Ciuta, A.-D, Nosol, K, Kowal, J, Mukherjee, S, Ramirez, A.S, Stieger, B, Kossiakoff, A.A, Locher, K.P. | 登録日 | 2023-06-17 | 公開日 | 2023-09-27 | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | 主引用文献 | Structure of human drug transporters OATP1B1 and OATP1B3. Nat Commun, 14, 2023
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8PHW
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![BU of 8phw by Molmil](/molmil-images/mine/8phw) | Human OATP1B1 | 分子名称: | CHOLESTEROL HEMISUCCINATE, Fab18 (heavy chain, variable region), ... | 著者 | Ciuta, A.-D, Nosol, K, Kowal, J, Mukherjee, S, Ramirez, A.S, Stieger, B, Kossiakoff, A.A, Locher, K.P. | 登録日 | 2023-06-20 | 公開日 | 2023-09-27 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Structure of human drug transporters OATP1B1 and OATP1B3. Nat Commun, 14, 2023
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6P4X
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5MHM
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6YGZ
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![BU of 6ygz by Molmil](/molmil-images/mine/6ygz) | tRNA Guanine Transglycosylase (TGT) labelled with 5-fluoro-tryptophan in co-crystallized complex with 6-Amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | 分子名称: | 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, Queuine tRNA-ribosyltransferase, ZINC ION | 著者 | Nguyen, A, Heine, A, Klebe, G. | 登録日 | 2020-03-28 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Co-crystallization, 19F NMR and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
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6V99
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![BU of 6v99 by Molmil](/molmil-images/mine/6v99) | Agrobacterium tumefaciens ADP-Glucose pyrophosphorylase- S72D in the presence of sulfate | 分子名称: | Glucose-1-phosphate adenylyltransferase, SULFATE ION | 著者 | Zheng, Y, Alghamdi, M.A, Ballicora, M.A, Liu, D. | 登録日 | 2019-12-13 | 公開日 | 2020-12-16 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.287 Å) | 主引用文献 | Site-directed mutagenesis of Serine-72 reveals the location of the fructose 6-phosphate regulatory site of the Agrobacterium tumefaciens ADP-glucose pyrophosphorylase. Protein Sci., 31, 2022
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8FAL
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![BU of 8fal by Molmil](/molmil-images/mine/8fal) | Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with benzo[d]thiazole-2(3H)-thione | 分子名称: | 1,3-benzothiazole-2(3H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Kohlbrand, A.J, Seo, H. | 登録日 | 2022-11-28 | 公開日 | 2023-03-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs. Chem.Commun.(Camb.), 59, 2023
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6PJK
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![BU of 6pjk by Molmil](/molmil-images/mine/6pjk) | HIV-1 Protease NL4-3 WT in Complex with LR3-29 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-isoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | 登録日 | 2019-06-28 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.002 Å) | 主引用文献 | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
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6YJV
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![BU of 6yjv by Molmil](/molmil-images/mine/6yjv) | Crystal structure of unliganded MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with UDP-2-deoxy-2-fluoroglucose and biantennary pentasaccharide M592 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose, ... | 著者 | Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J. | 登録日 | 2020-04-04 | 公開日 | 2020-08-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V Acs Catalysis, 2020
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8PO9
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![BU of 8po9 by Molmil](/molmil-images/mine/8po9) | Polyethylene oxidation hexamerin PEase Cibeles (XP_026756460) from Galleria mellonella | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Arylphorin, ... | 著者 | Illanes-Vicioso, R, Ruiz-Lopez, E, Sola, M, Bertocchini, F, Palomo, E.A. | 登録日 | 2023-07-03 | 公開日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Plastic degradation by insect hexamerins: Near-atomic resolution structures of the polyethylene-degrading proteins from the wax worm saliva. Sci Adv, 9, 2023
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6PKG
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![BU of 6pkg by Molmil](/molmil-images/mine/6pkg) | Zebrafish N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain auto-inhibited by pro-peptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEXAETHYLENE GLYCOL, IODIDE ION, ... | 著者 | Gorelik, A, Illes, K, Nagar, B. | 登録日 | 2019-06-29 | 公開日 | 2020-02-19 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme. Structure, 28, 2020
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8FK3
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8PPL
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![BU of 8ppl by Molmil](/molmil-images/mine/8ppl) | MERS-CoV Nsp1 bound to the human 43S pre-initiation complex | 分子名称: | 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | 著者 | Schubert, K, Karousis, E.D, Ban, I, Lapointe, C.P, Leibundgut, M, Baeumlin, E, Kummerant, E, Scaiola, A, Schoenhut, T, Ziegelmueller, J, Puglisi, J.D, Muehlemann, O, Ban, N. | 登録日 | 2023-07-07 | 公開日 | 2023-10-18 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (2.65 Å) | 主引用文献 | Universal features of Nsp1-mediated translational shutdown by coronaviruses. Mol.Cell, 83, 2023
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5MQS
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![BU of 5mqs by Molmil](/molmil-images/mine/5mqs) | Sialidase BT_1020 | 分子名称: | Beta-L-arabinobiosidase, CALCIUM ION, SODIUM ION, ... | 著者 | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | 登録日 | 2016-12-20 | 公開日 | 2017-03-22 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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7NT1
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![BU of 7nt1 by Molmil](/molmil-images/mine/7nt1) | Crystal structure of SARS CoV2 main protease in complex with FSP007 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, [(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | 登録日 | 2021-03-08 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
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8PX0
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![BU of 8px0 by Molmil](/molmil-images/mine/8px0) | Structure of ribonuclease A, solved at wavelength 2.75 A | 分子名称: | L-URIDINE-5'-MONOPHOSPHATE, Ribonuclease pancreatic | 著者 | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Beis, K, Wagner, A. | 登録日 | 2023-07-22 | 公開日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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7T8V
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![BU of 7t8v by Molmil](/molmil-images/mine/7t8v) | Co-crystal structure of Chaetomium glucosidase I with EB-0159 | 分子名称: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1H-1,2,3-triazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Karade, S.S, Mariuzza, R.A. | 登録日 | 2021-12-17 | 公開日 | 2022-05-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Identification of Endoplasmic Reticulum alpha-Glucosidase I from a Thermophilic Fungus as a Platform for Structure-Guided Antiviral Drug Design. Biochemistry, 61, 2022
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