8QD3
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![BU of 8qd3 by Molmil](/molmil-images/mine/8qd3) | Ayg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene | 分子名称: | 1,2-ETHANEDIOL, FLAVIOLIN, Pigment biosynthesis protein yellowish-green 1, ... | 著者 | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | 登録日 | 2023-08-28 | 公開日 | 2024-03-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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4Y2U
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![BU of 4y2u by Molmil](/molmil-images/mine/4y2u) | Structure of soluble epoxide hydrolase in complex with tert-butyl 1,2,3,4-tetrahydroquinolin-3-ylcarbamate | 分子名称: | Bifunctional epoxide hydrolase 2, MAGNESIUM ION, tert-butyl (3R)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate | 著者 | Amano, Y, Yamaguchi, T. | 登録日 | 2015-02-10 | 公開日 | 2015-05-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
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6WS1
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![BU of 6ws1 by Molmil](/molmil-images/mine/6ws1) | Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-((((2R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(3-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)propyl)amino)butanoic acid and AdoHcy (SAH) | 分子名称: | 1,2-ETHANEDIOL, 5'-([(3S)-3-amino-3-carboxypropyl]{3-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine, CADMIUM ION, ... | 著者 | Harijan, R.K, Mahmoodi, N, Bonanno, J.B, Almo, S.C, Schramm, V.L. | 登録日 | 2020-04-30 | 公開日 | 2020-08-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | 主引用文献 | Transition-State Analogues of PhenylethanolamineN-Methyltransferase. J.Am.Chem.Soc., 142, 2020
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7BGX
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![BU of 7bgx by Molmil](/molmil-images/mine/7bgx) | Mutant F105L of recombinant beta-lactoglobulin | 分子名称: | Beta-lactoglobulin, GLYCEROL, SULFATE ION | 著者 | Loch, J.I, Wrobel, P, Lewinski, K. | 登録日 | 2021-01-08 | 公開日 | 2021-01-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket. Acta Biochim.Pol., 68, 2021
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4XX3
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1Z5H
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![BU of 1z5h by Molmil](/molmil-images/mine/1z5h) | Crystal structures of the Tricorn interacting Factor F3 from Thermoplasma acidophilum | 分子名称: | SULFATE ION, Tricorn protease interacting factor F3, ZINC ION | 著者 | Kyrieleis, O.J.P, Goettig, P, Kiefersauer, R, Huber, R, Brandstetter, H. | 登録日 | 2005-03-18 | 公開日 | 2005-06-28 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal Structures of the Tricorn Interacting Factor F3 from Thermoplasma acidophilum, a Zinc Aminopeptidase in Three Different Conformations J.MOL.BIOL., 349, 2005
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8QD9
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![BU of 8qd9 by Molmil](/molmil-images/mine/8qd9) | Wdyg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene | 分子名称: | 1,2-ETHANEDIOL, Yellowish-green 1-like protein, naphthalene-1,3,6,8-tetrol | 著者 | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | 登録日 | 2023-08-28 | 公開日 | 2024-03-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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4YD0
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![BU of 4yd0 by Molmil](/molmil-images/mine/4yd0) | Influenza polymerase basic protein 2 (PB2) bound to an azaindole-tetrazole inhibitor | 分子名称: | 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(1R,2S,3S,4R)-3-(1H-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine, Polymerase basic protein 2 | 著者 | Jacobs, M.D. | 登録日 | 2015-02-20 | 公開日 | 2015-04-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Isosteric replacements of the carboxylic acid of drug candidate VX-787: Effect of charge on antiviral potency and kinase activity of azaindole-based influenza PB2 inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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7BGA
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6PVU
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![BU of 6pvu by Molmil](/molmil-images/mine/6pvu) | RNase A in complex with hexametaphosphate | 分子名称: | 2,4,6,8,10,12-hexahydroxy-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexone, Ribonuclease pancreatic | 著者 | Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T. | 登録日 | 2019-07-21 | 公開日 | 2019-11-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A. J.Am.Chem.Soc., 141, 2019
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7BGZ
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![BU of 7bgz by Molmil](/molmil-images/mine/7bgz) | Mutant L39K of recombinant beta-lactoglobulin in complex with endogenous ligand | 分子名称: | 1,2-ETHANEDIOL, Beta-lactoglobulin, DECANOIC ACID | 著者 | Loch, J.I, Siuda, M.K, Lewinski, K. | 登録日 | 2021-01-09 | 公開日 | 2021-01-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | 主引用文献 | Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket. Acta Biochim.Pol., 68, 2021
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8GMD
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![BU of 8gmd by Molmil](/molmil-images/mine/8gmd) | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 COMPLEXED WITH (5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol | 分子名称: | (5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol, AP2-associated protein kinase 1, SULFATE ION | 著者 | Muckelbauer, J.K. | 登録日 | 2023-03-24 | 公開日 | 2023-07-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of pyrrolo[2,1- f ][1,2,4]triazine-based inhibitors of adaptor protein 2-associated kinase 1 for the treatment of pain. Med.Chem.Res., 2023
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7BH0
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8QCD
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![BU of 8qcd by Molmil](/molmil-images/mine/8qcd) | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR 4,5,6,7-TETRABROMOBENZOTRIAZOLE | 分子名称: | 1,2-ETHANEDIOL, 4,5,6,7-TETRABROMOBENZOTRIAZOLE, Casein kinase II subunit alpha' | 著者 | Werner, C, Niefind, K. | 登録日 | 2023-08-25 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool Kinases Phosphatases, 2023
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5LLE
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![BU of 5lle by Molmil](/molmil-images/mine/5lle) | Crystal structure of human carbonic anhydrase isozyme II with 4-(1-Adamantylamino)-2,3,5,6-tetrafluorobenzenesulfonamide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide, BICINE, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2016-07-27 | 公開日 | 2017-08-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
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4YAD
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![BU of 4yad by Molmil](/molmil-images/mine/4yad) | Crystal structure of TRIM24 PHD-bromodomain complexed with 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzene-1-sulfonamide (3b) | 分子名称: | 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide, CHLORIDE ION, GLYCEROL, ... | 著者 | Poncet-Montange, G, Palmer, W, Jones, P. | 登録日 | 2015-02-17 | 公開日 | 2015-06-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor. J.Med.Chem., 59, 2016
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7BDV
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![BU of 7bdv by Molmil](/molmil-images/mine/7bdv) | Structure of Can2 from Sulfobacillus thermosulfidooxidans in complex with cyclic tetra-adenylate (cA4) | 分子名称: | Can2, Cyclic tetraadenosine monophosphate (cA4) | 著者 | McQuarrie, S, McMahon, S.A, Gloster, T.M, White, M.F, Graham, S, Zhu, W, Gruschow, S. | 登録日 | 2020-12-22 | 公開日 | 2021-03-03 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | The CRISPR ancillary effector Can2 is a dual-specificity nuclease potentiating type III CRISPR defence. Nucleic Acids Res., 49, 2021
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6PVX
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![BU of 6pvx by Molmil](/molmil-images/mine/6pvx) | RNase A in complex with p5U | 分子名称: | 5'-O-[(R)-hydroxy{[(S)-hydroxy{[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine, Ribonuclease pancreatic | 著者 | Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T. | 登録日 | 2019-07-21 | 公開日 | 2019-11-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A. J.Am.Chem.Soc., 141, 2019
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6PVV
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![BU of 6pvv by Molmil](/molmil-images/mine/6pvv) | RNase A in complex with p5A | 分子名称: | ADENOSINE-5'-PENTAPHOSPHATE, Ribonuclease pancreatic | 著者 | Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T. | 登録日 | 2019-07-21 | 公開日 | 2019-11-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A. J.Am.Chem.Soc., 141, 2019
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5LPO
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![BU of 5lpo by Molmil](/molmil-images/mine/5lpo) | tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one | 分子名称: | 1,2-ETHANEDIOL, 6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one, GLYCEROL, ... | 著者 | Ehrmann, F.R, Heine, A, Klebe, G. | 登録日 | 2016-08-14 | 公開日 | 2017-08-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Carbohydrate-based Inhibitors targeting the Ribose-34 pocket of Z.mobilis TGT and changing the oligomeric state of the homodimer To be published
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6MNP
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![BU of 6mnp by Molmil](/molmil-images/mine/6mnp) | Crystal structure of KPC-2 with compound 6 | 分子名称: | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | 著者 | Akhtar, A, Chen, Y. | 登録日 | 2018-10-02 | 公開日 | 2019-04-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | 主引用文献 | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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7TN5
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7TN6
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7TN8
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7TN3
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