7BLB
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7B8W
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![BU of 7b8w by Molmil](/molmil-images/mine/7b8w) | Structure of LIMK1 Kinase domain with allosteric inhibitor TH-470 | 分子名称: | 1,2-ETHANEDIOL, 2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide, LIM domain kinase 1 | 著者 | Lee, H, Yosaatmadja, Y, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Elkins, J.M. | 登録日 | 2020-12-13 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure of LIMK1 Kinase domain with allosteric inhibitor TH-470 To Be Published
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7BLA
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6TVG
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6TVP
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![BU of 6tvp by Molmil](/molmil-images/mine/6tvp) | Structure of Mycobacterium smegmatis alpha-maltose-1-phosphate synthase GlgM | 分子名称: | Alpha-maltose-1-phosphate synthase, SODIUM ION | 著者 | Syson, K, Stevenson, C.E.M, Lawson, D.M, Bornemann, S. | 登録日 | 2020-01-10 | 公開日 | 2020-04-22 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of the Mycobacterium smegmatis alpha-maltose-1-phosphate synthase GlgM. Acta Crystallogr.,Sect.F, 76, 2020
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5N57
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7BL7
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![BU of 7bl7 by Molmil](/molmil-images/mine/7bl7) | Crystal structure of UMPK from M. tuberculosis in complex with UDP and UTP (P21212 form) | 分子名称: | URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase | 著者 | Walter, P, Labesse, G, Haouz, A, Mechaly, A.E, Munier-Lehmann, H. | 登録日 | 2021-01-18 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.33 Å) | 主引用文献 | Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target. Febs J., 289, 2022
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6U3O
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![BU of 6u3o by Molmil](/molmil-images/mine/6u3o) | JR51 DQ2-p.aeru-alpha2a complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1, ... | 著者 | Petersen, J, Rossjohn, J. | 登録日 | 2019-08-22 | 公開日 | 2019-12-18 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.743 Å) | 主引用文献 | T cell receptor cross-reactivity between gliadin and bacterial peptides in celiac disease. Nat.Struct.Mol.Biol., 27, 2020
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6TVL
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![BU of 6tvl by Molmil](/molmil-images/mine/6tvl) | Hen Egg White Lysozyme in complex with a "half sandwich"-type Ru(II) coordination compound | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | 著者 | Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A. | 登録日 | 2020-01-10 | 公開日 | 2020-04-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.395 Å) | 主引用文献 | High-resolution crystal structures of a "half sandwich"-type Ru(II) coordination compound bound to hen egg-white lysozyme and proteinase K. J.Biol.Inorg.Chem., 25, 2020
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5N75
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![BU of 5n75 by Molmil](/molmil-images/mine/5n75) | 14-3-3 sigma in complex with TAZ pS89 peptide | 分子名称: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Sijbesma, E, Leysen, S, Ottmann, C. | 登録日 | 2017-02-19 | 公開日 | 2017-07-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.803 Å) | 主引用文献 | Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening. Biochemistry, 56, 2017
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7BL9
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![BU of 7bl9 by Molmil](/molmil-images/mine/7bl9) | BAZ2A bromodomain in complex with GSK2801 chemical probe | 分子名称: | 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2021-01-18 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Chemical probes in the BAZ2A bromodomain to be published
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5N88
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![BU of 5n88 by Molmil](/molmil-images/mine/5n88) | Crystal structure of antibody bound to viral protein | 分子名称: | PC4 and SFRS1-interacting protein, VH59 antibody | 著者 | Bao, L, Hannon, C, Cruz-Migoni, A, Ptchelkine, D, Sun, M.-y, Derveni, M, Bunjobpol, W, Chambers, J.S, Simmons, A, Phillips, S.E.V, Rabbitts, T.H. | 登録日 | 2017-02-23 | 公開日 | 2017-12-20 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Intracellular immunization against HIV infection with an intracellular antibody that mimics HIV integrase binding to the cellular LEDGF protein. Sci Rep, 7, 2017
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7BM9
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![BU of 7bm9 by Molmil](/molmil-images/mine/7bm9) | Crystal structure of 14-3-3 sigma in complex with CIP2ApS904 peptide | 分子名称: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Centorrino, F, Andlovic, B, Ottmann, C. | 登録日 | 2021-01-19 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Fusicoccin-A Targets Cancerous Inhibitor of Protein Phosphatase 2A by Stabilizing a C-Terminal Interaction with 14-3-3. Acs Chem.Biol., 17, 2022
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6T9X
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![BU of 6t9x by Molmil](/molmil-images/mine/6t9x) | Crystal structure of formate dehydrogenase FDH2 D222Q/Q223R mutant enzyme from Granulicella mallensis MP5ACTX8 in complex with NADP and Azide. | 分子名称: | AZIDE ION, Formate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L. | 登録日 | 2019-10-29 | 公開日 | 2020-09-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | From the Amelioration of a NADP+-dependent Formate Dehydrogenase to the Discovery of a New Enzyme: Round Trip from Theory to Practice Chemcatchem, 2020
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5N4F
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![BU of 5n4f by Molmil](/molmil-images/mine/5n4f) | Prolyl oligopeptidase B from Galerina marginata - apo protein | 分子名称: | GLYCEROL, Prolyl oligopeptidase | 著者 | Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H. | 登録日 | 2017-02-10 | 公開日 | 2017-11-01 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates. Nat Commun, 8, 2017
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7BNS
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![BU of 7bns by Molmil](/molmil-images/mine/7bns) | VDR complex with BXL-62 | 分子名称: | 1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A | 著者 | Rochel, N, Belorusova, A.Y. | 登録日 | 2021-01-22 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Vitamin D Analogs Bearing C-20 Modifications Stabilize the Agonistic Conformation of Non-Responsive Vitamin D Receptor Variants. Int J Mol Sci, 23, 2022
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6TBC
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![BU of 6tbc by Molmil](/molmil-images/mine/6tbc) | Crystal structure of S. aureus FabI in complex with NADPH and kalimantacin B | 分子名称: | (2~{E},5~{R},10~{E},12~{E},15~{S},19~{R})-20-[[(2~{R},3~{R})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid, Enoyl-[acyl-carrier-protein] reductase [NADPH], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Fage, C.D, Masschelein, J. | 登録日 | 2019-11-01 | 公開日 | 2020-04-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | The Kalimantacin Polyketide Antibiotics Inhibit Fatty Acid Biosynthesis in Staphylococcus aureus by Targeting the Enoyl-Acyl Carrier Protein Binding Site of FabI. Angew.Chem.Int.Ed.Engl., 59, 2020
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6TBK
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![BU of 6tbk by Molmil](/molmil-images/mine/6tbk) | Structure of a beta galactosidase with inhibitor | 分子名称: | 5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide, Beta-galactosidase, putative, ... | 著者 | Offen, W, Davies, G. | 登録日 | 2019-11-01 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine. Molecules, 25, 2020
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5N5R
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![BU of 5n5r by Molmil](/molmil-images/mine/5n5r) | 14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV1 | 分子名称: | 14-3-3 protein sigma, 2-azanyl-~{N}-(2,6-dimethylphenyl)-~{N}-propan-2-yl-ethanamide, CHLORIDE ION, ... | 著者 | Sijbesma, E, Leysen, S, Ottmann, C. | 登録日 | 2017-02-14 | 公開日 | 2017-07-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening. Biochemistry, 56, 2017
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6TCF
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6TDC
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5N0F
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![BU of 5n0f by Molmil](/molmil-images/mine/5n0f) | The catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with 1,6-ManSIFG | 分子名称: | Alpha-1,6-mannanase, [(3S,4R,5R)-4,5-dihydroxypiperidin-3-yl]methyl 1-thio-alpha-D-mannopyranoside | 著者 | Jin, Y, Williams, S, Davies, G. | 登録日 | 2017-02-02 | 公開日 | 2017-08-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | An atypical interaction explains the high-affinity of a non-hydrolyzable S-linked 1,6-alpha-mannanase inhibitor. Chem. Commun. (Camb.), 53, 2017
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7BIX
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![BU of 7bix by Molmil](/molmil-images/mine/7bix) | Crystal structure of UMPK from M. tuberculosis in complex with UDP and UTP (C2 form) | 分子名称: | URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase | 著者 | Labesse, G, Walter, P, Haouz, A, Mechaly, A.E, Munier-Lehmann, H. | 登録日 | 2021-01-13 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | 主引用文献 | Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target. Febs J., 289, 2022
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6TDG
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![BU of 6tdg by Molmil](/molmil-images/mine/6tdg) | Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 2 | 分子名称: | 2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline, ACETYL COENZYME *A, Glucosamine 6-phosphate N-acetyltransferase | 著者 | Raimi, O.G, Stanley, M, Lockhart, D. | 登録日 | 2019-11-08 | 公開日 | 2020-04-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Targeting a critical step in fungal hexosamine biosynthesis. J.Biol.Chem., 295, 2020
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7BN9
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