8QIY
 
 | | Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor | | 分子名称: | 1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase | | 著者 | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | | 登録日 | 2023-09-12 | | 公開日 | 2024-07-24 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (1.5149 Å) | | 主引用文献 | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8A5J
 | | Crystal structure of Human STE20-like kinase 1, MST1 in complex with compound XMU-MP-1 | | 分子名称: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, Serine/threonine-protein kinase 4 37kDa subunit | | 著者 | Nawrotek, A, Vuillard, L, Miallau, L. | | 登録日 | 2022-06-15 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.123 Å) | | 主引用文献 | Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879
To Be Published
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8TZH
 | | Structure of full-length LRRK2 bound to MLi-2 (I2020T mutant) | | 分子名称: | (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, E11 DARPin, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Sanz-Murillo, M, Villagran-Suarez, A, Alegrio Louro, J, Leschziner, A. | | 登録日 | 2023-08-26 | | 公開日 | 2023-12-06 | | 最終更新日 | 2024-12-25 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Sci Adv, 9, 2023
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8TJM
 | | Crystal structure of KPC-44 carbapenemase | | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, beta-lactamase | | 著者 | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | | 登録日 | 2023-07-23 | | 公開日 | 2023-12-06 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops.
J.Biol.Chem., 300, 2023
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6V8J
 | | Crystal structure of Ara h 8.0201 | | 分子名称: | Ara h 8 allergen isoform, SODIUM ION, SULFATE ION | | 著者 | Offermann, L.R, Pote, S, Hurlburt, B.K, McBride, J.K, Chruszcz, M. | | 登録日 | 2019-12-11 | | 公開日 | 2020-12-16 | | 最終更新日 | 2025-12-03 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural analysis of 8-anilino-1-naphthalene sulfonate (ANS) binding to the PR-10 allergen Ara h 8.
Biochem.Biophys.Res.Commun., 793, 2025
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5IDY
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9JMX
 | | Crystal structure of IRED-M235A in complex with NADP+ and substrate | | 分子名称: | 1-~{tert}-butyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indole, 3-hydroxyisobutyrate dehydrogenase-like beta-hydroxyacid dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Fu, X.L, Zhang, M.T, Yi, S.M, Dai, K.X, Yang, Y.Y, Chen, C.-C, Guo, R.-T. | | 登録日 | 2024-09-21 | | 公開日 | 2025-07-23 | | 最終更新日 | 2025-09-03 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Mutagenesis of a Single Site Inverts the Stereopreference of Imine Reductase
Acs Catalysis, 15, 2025
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8F7T
 | | Glycan-Base ConC Env Trimer | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 Env gp120, ... | | 著者 | Olia, A.S, Kwong, P.D. | | 登録日 | 2022-11-20 | | 公開日 | 2023-09-27 | | 最終更新日 | 2025-05-21 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Soluble prefusion-closed HIV-envelope trimers with glycan-covered bases.
Iscience, 26, 2023
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6FZO
 | | SMURFP-Y56F mutant | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | | 著者 | Janowski, R, Fuenzalida-Wernera, J.P, Mishra, K, Vetschera, P, Weidenfeld, I, Richter, K, Niessing, D, Ntziachristos, V, Stiel, A.C. | | 登録日 | 2018-03-15 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of a biliverdin-bound phycobiliprotein: Interdependence of oligomerization and chromophorylation.
J. Struct. Biol., 204, 2018
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5W6P
 | | Crystal structure of Bacteriophage CBA120 tailspike protein 2 enzymatically active domain (TSP2dN, orf211) | | 分子名称: | 1,2-ETHANEDIOL, POTASSIUM ION, ZINC ION, ... | | 著者 | Plattner, M, Shneider, M.M, Leiman, P.G. | | 登録日 | 2017-06-16 | | 公開日 | 2018-10-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.335 Å) | | 主引用文献 | Structure and Function of the Branched Receptor-Binding Complex of Bacteriophage CBA120.
J.Mol.Biol., 431, 2019
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7O9Q
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7NYK
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7NYM
 | | Mutant V517A - SH3 domain of JNK-interacting Protein 1 (JIP1) | | 分子名称: | HEXAETHYLENE GLYCOL, PHOSPHATE ION, SH3 domain of JNK-interacting Protein 1 (JIP1), ... | | 著者 | Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R. | | 登録日 | 2021-03-23 | | 公開日 | 2021-12-22 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.614 Å) | | 主引用文献 | Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
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7PYB
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-Hydroxypyridine | | 分子名称: | 1~{H}-pyridin-2-one, Cholinephosphate cytidylyltransferase, Guanidinium | | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | 登録日 | 2021-10-09 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
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5IH8
 | | MELK in complex with NVS-MELK1 | | 分子名称: | Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide | | 著者 | Sprague, E.R, Puleo, D.E. | | 登録日 | 2016-02-29 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
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7ZYK
 | | Compound 9 Bound to CK2alpha | | 分子名称: | 2-(5-bromanyl-6-chloranyl-1~{H}-indol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Brear, P, Hyvonen, M. | | 登録日 | 2022-05-25 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
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8TF4
 | | Wildtype rabbit TRPV5 into nanodiscs in the presence of PI(4,5)P2 and econazole | | 分子名称: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, ERGOSTEROL, ... | | 著者 | De Jesus-Perez, J.J, Fluck, E.C, Moiseenkova-Bell, V.Y. | | 登録日 | 2023-07-07 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (2.86 Å) | | 主引用文献 | Structural mechanism of TRPV5 inhibition by econazole.
Structure, 32, 2024
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7O9W
 | | Encequidar-bound human P-glycoprotein in complex with UIC2-Fab | | 分子名称: | Multidrug resistance protein 1, UIC2 Fab-fragment heavy chain, UIC2 Fab-fragment light chain, ... | | 著者 | Nosol, K, Locher, K.P. | | 登録日 | 2021-04-17 | | 公開日 | 2022-01-12 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Discovery and Characterization of Potent Dual P-Glycoprotein and CYP3A4 Inhibitors: Design, Synthesis, Cryo-EM Analysis, and Biological Evaluations.
J.Med.Chem., 65, 2022
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5IJU
 | | Structure of an AA10 Lytic Polysaccharide Monooxygenase from Bacillus amyloliquefaciens with Cu(II) bound | | 分子名称: | 1,2-ETHANEDIOL, BaAA10 Lytic Polysaccharide Monooxygenase, CALCIUM ION, ... | | 著者 | Gregory, R.C, Hemsworth, G.R, Turkenburg, J.P, Hart, S.J, Walton, P.H, Davies, G.J. | | 登録日 | 2016-03-02 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Activity, stability and 3-D structure of the Cu(ii) form of a chitin-active lytic polysaccharide monooxygenase from Bacillus amyloliquefaciens.
Dalton Trans, 45, 2016
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8QPG
 | | Turret of Haloferax tailed virus 1 | | 分子名称: | MAGNESIUM ION, Prokaryotic polysaccharide deacetylase, ZINC ION, ... | | 著者 | Zhang, D, Daum, B, Isupov, M.N, McLaren, M. | | 登録日 | 2023-10-02 | | 公開日 | 2024-10-09 | | 最終更新日 | 2025-10-22 | | 実験手法 | ELECTRON MICROSCOPY (2.36 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
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6V51
 | | Spin-labeled T4 Lysozyme (9/131FnbY)-(4-Amino-TEMPO) | | 分子名称: | 4-amino-2,2,6,6-tetramethylpiperidin-1-ol, Endolysin | | 著者 | Liu, J, Morizumi, T, Ou, W.L, Wang, L, Ernst, O.P. | | 登録日 | 2019-12-02 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Genetically Encoded Quinone Methides Enabling Rapid, Site-Specific, and Photocontrolled Protein Modification with Amine Reagents.
J.Am.Chem.Soc., 142, 2020
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1EX1
 | | BETA-D-GLUCAN EXOHYDROLASE FROM BARLEY | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (BETA-D-GLUCAN EXOHYDROLASE ISOENZYME EXO1), ... | | 著者 | Varghese, J.N, Hrmova, M, Fincher, G.B. | | 登録日 | 1998-11-10 | | 公開日 | 1999-11-17 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Three-dimensional structure of a barley beta-D-glucan exohydrolase, a family 3 glycosyl hydrolase.
Structure Fold.Des., 7, 1999
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6V6V
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6X78
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8P0F
 | | Crystal structure of the VCB complex with compound 1. | | 分子名称: | (3~{R},5~{R})-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-5-oxidanyl-2-oxidanylidene-1-pyridin-2-yl-piperidine-3-carboxamide, CHLORIDE ION, Elongin-B, ... | | 著者 | Bader, G, Boettcher, J, Wolkerstorfer, B. | | 登録日 | 2023-05-10 | | 公開日 | 2023-05-31 | | 最終更新日 | 2025-05-07 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Drugit: crowd-sourcing molecular design of non-peptidic VHL binders.
Nat Commun, 16, 2025
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