6BDY
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6BM6
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![BU of 6bm6 by Molmil](/molmil-images/mine/6bm6) | |
6BM5
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4J6I
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![BU of 4j6i by Molmil](/molmil-images/mine/4j6i) | Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform | Descriptor: | 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Rouge, L, Wu, P. | Deposit date: | 2013-02-11 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform. Bioorg.Med.Chem.Lett., 23, 2013
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3R7R
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![BU of 3r7r by Molmil](/molmil-images/mine/3r7r) | Structure-based design of thienobenzoxepin inhibitors of PI3-Kinase | Descriptor: | 8-(acetylamino)-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Wiesmann, C. | Deposit date: | 2011-03-22 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-based design of thienobenzoxepin inhibitors of PI3-kinase. Bioorg.Med.Chem.Lett., 21, 2011
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3R7Q
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![BU of 3r7q by Molmil](/molmil-images/mine/3r7q) | Structure-based design of thienobenzoxepin inhibitors of PI3- kinase | Descriptor: | N-(2-chlorophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Wiesmann, C. | Deposit date: | 2011-03-22 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based design of thienobenzoxepin inhibitors of PI3-kinase. Bioorg.Med.Chem.Lett., 21, 2011
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2BHJ
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![BU of 2bhj by Molmil](/molmil-images/mine/2bhj) | murine iNO synthase with coumarin inhibitor | Descriptor: | 7,8-DIHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Mathieu, M, Guilloteau, J.P. | Deposit date: | 2005-01-12 | Release date: | 2005-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Design, Synthesis and Characterization of a Novel Class of Coumarin-Based Inhibitors of Inducible Nitric Oxide Synthase Bioorg.Med.Chem., 13, 2005
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3C27
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![BU of 3c27 by Molmil](/molmil-images/mine/3c27) | Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors | Descriptor: | Hirudin-3A, N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide, Thrombin heavy chain, ... | Authors: | Spurlino, J.C, McMillan, M, Lewandowski, F, Milligan, C. | Deposit date: | 2008-01-24 | Release date: | 2009-02-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.182 Å) | Cite: | Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors To be Published
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1FNK
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![BU of 1fnk by Molmil](/molmil-images/mine/1fnk) | CRYSTAL STRUCTURE ANALYSIS OF CHORISMATE MUTASE MUTANT C88K/R90S | Descriptor: | PROTEIN (CHORISMATE MUTASE) | Authors: | Kast, P, Grisostomi, C, Chen, I.A, Li, S, Krengel, U, Xue, Y, Hilvert, D. | Deposit date: | 2000-08-22 | Release date: | 2000-10-11 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A strategically positioned cation is crucial for efficient catalysis by chorismate mutase. J.Biol.Chem., 275, 2000
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1FNJ
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![BU of 1fnj by Molmil](/molmil-images/mine/1fnj) | CRYSTAL STRUCTURE ANALYSIS OF CHORISMATE MUTASE MUTANT C88S/R90K | Descriptor: | PROTEIN (CHORISMATE MUTASE) | Authors: | Kast, P, Grisostomi, C, Chen, I.A, Li, S, Krengel, U, Xue, Y, Hilvert, D. | Deposit date: | 2000-08-22 | Release date: | 2000-10-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A strategically positioned cation is crucial for efficient catalysis by chorismate mutase. J.Biol.Chem., 275, 2000
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4HGE
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![BU of 4hge by Molmil](/molmil-images/mine/4hge) | JAK2 kinase (JH1 domain) in complex with compound 8 | Descriptor: | N-[1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2012-10-08 | Release date: | 2012-10-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of potent and selective pyrazolopyrimidine janus kinase 2 inhibitors. J.Med.Chem., 55, 2012
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4JIA
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![BU of 4jia by Molmil](/molmil-images/mine/4jia) | JAK2 kinase (JH1 domain) in complex with compound 9 | Descriptor: | 5-(4-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2013-03-05 | Release date: | 2013-08-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4JI9
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![BU of 4ji9 by Molmil](/molmil-images/mine/4ji9) | JAK2 kinase (JH1 domain) in complex with TG101209 | Descriptor: | N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2013-03-05 | Release date: | 2013-08-07 | Last modified: | 2013-08-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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9F9Q
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9ENE
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9ENF
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9ENB
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9ENC
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![BU of 9enc by Molmil](/molmil-images/mine/9enc) | |
8EPA
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8OKD
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![BU of 8okd by Molmil](/molmil-images/mine/8okd) | Human pseudouridine synthase 3 and tRNA-Gln | Descriptor: | human tRNA-Gln (70-MER), tRNA pseudouridine(38/39) synthase | Authors: | Lin, T.-Y, Glatt, S. | Deposit date: | 2023-03-28 | Release date: | 2024-07-10 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The molecular basis of tRNA selectivity by human pseudouridine synthase 3. Mol.Cell, 84, 2024
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7BLY
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![BU of 7bly by Molmil](/molmil-images/mine/7bly) | Structure of the chitin deacetylase AngCDA from Aspergillus niger | Descriptor: | Aspergillus niger contig An12c0130, genomic contig, CHLORIDE ION, ... | Authors: | Roret, T, Bonin, M, Hembach, L, Moerschbacher, B.M. | Deposit date: | 2021-01-19 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | In silico and in vitro analysis of an Aspergillus niger chitin deacetylase to decipher its subsite sugar preferences. J.Biol.Chem., 297, 2021
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4OZD
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![BU of 4ozd by Molmil](/molmil-images/mine/4ozd) | Crystal structure of PdSP15a | Descriptor: | 14.4 kDa salivary protein | Authors: | Andersen, J.F, Alvarenga, P.H. | Deposit date: | 2014-02-14 | Release date: | 2015-03-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Protection against cutaneous leishmaniasis in non-human primates by immunization with an insect salivary protein To be published
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