4M3E
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![BU of 4m3e by Molmil](/molmil-images/mine/4m3e) | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | 分子名称: | 4-(2-{[(propylsulfonyl)amino]methyl}-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR | 著者 | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | 登録日 | 2013-08-06 | 公開日 | 2014-06-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.109 Å) | 主引用文献 | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches. J.Med.Chem., 57, 2014
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6VZW
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![BU of 6vzw by Molmil](/molmil-images/mine/6vzw) | TTLL6 bound to the initiation analog | 分子名称: | (2~{S})-2-[[[(3~{R})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | 著者 | Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.L, Tanner, T.E, Tjandra, N, Roll-Mecak, A. | 登録日 | 2020-02-28 | 公開日 | 2020-08-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes. Nat.Struct.Mol.Biol., 27, 2020
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6W0G
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![BU of 6w0g by Molmil](/molmil-images/mine/6w0g) | Closed-gate KcsA soaked in 1mM KCl/5mM BaCl2 | 分子名称: | Fab Heavy Chain, Fab Light Chain, POTASSIUM ION, ... | 著者 | Rohaim, A, Gong, L, Li, J. | 登録日 | 2020-02-29 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Open and Closed Structures of a Barium-Blocked Potassium Channel. J.Mol.Biol., 432, 2020
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6VI9
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![BU of 6vi9 by Molmil](/molmil-images/mine/6vi9) | Observing a ring-cleaving dioxygenase in action through a crystalline lens - an alkylperoxo bound structure | 分子名称: | (5R,6Z)-5-(hydroperoxy-kappaO)-5-(hydroxy-kappaO)-6-iminocyclohexa-1,3-diene-1-carboxylato(2-)iron, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, ... | 著者 | Wang, Y, Liu, F, Yang, Y, Liu, A. | 登録日 | 2020-01-12 | 公開日 | 2020-07-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens. Proc.Natl.Acad.Sci.USA, 117, 2020
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3MK0
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![BU of 3mk0 by Molmil](/molmil-images/mine/3mk0) | Refinement of placental alkaline phosphatase complexed with nitrophenyl | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Alkaline phosphatase, ... | 著者 | Stec, B, Cheltsov, A, Millan, J.L. | 登録日 | 2010-04-13 | 公開日 | 2011-01-19 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Refined structures of placental alkaline phosphatase show a consistent pattern of interactions at the peripheral site. Acta Crystallogr.,Sect.F, 66, 2010
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7TQS
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6W25
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![BU of 6w25 by Molmil](/molmil-images/mine/6w25) | Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with SHU9119 | 分子名称: | CALCIUM ION, Melanocortin receptor 4,GlgA glycogen synthase,Melanocortin receptor 4, OLEIC ACID, ... | 著者 | Yu, J, Gimenez, L.E, Hernandez, C.C, Wu, Y, Wein, A.H, Han, G.W, McClary, K, Mittal, S.R, Burdsall, K, Stauch, B, Wu, L, Stevens, S.N, Peisley, A, Williams, S.Y, Chen, V, Millhauser, G.L, Zhao, S, Cone, R.D, Stevens, R.C. | 登録日 | 2020-03-04 | 公開日 | 2020-04-29 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Determination of the melanocortin-4 receptor structure identifies Ca2+as a cofactor for ligand binding. Science, 368, 2020
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7TQU
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7TQT
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6W34
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![BU of 6w34 by Molmil](/molmil-images/mine/6w34) | Crystal Structure of Class A Beta-lactamase from Bacillus cereus | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | 著者 | Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2020-03-08 | 公開日 | 2020-03-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Crystal Structure of Class A Beta-lactamase from
Bacillus cereus To Be Published
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2N1F
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![BU of 2n1f by Molmil](/molmil-images/mine/2n1f) | Structure and assembly of the mouse ASC filament by combined NMR spectroscopy and cryo-electron microscopy | 分子名称: | Apoptosis-associated speck-like protein | 著者 | Sborgi, L, Ravotti, F, Dandey, V, Dick, M, Mazur, A, Reckel, S, Chami, M, Scherer, S, Bockmann, A, Egelman, E, Stahlberg, H, Broz, P, Meier, B, Hiller, S. | 登録日 | 2015-04-01 | 公開日 | 2015-10-14 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (4 Å), SOLID-STATE NMR | 主引用文献 | Structure and assembly of the mouse ASC inflammasome by combined NMR spectroscopy and cryo-electron microscopy. Proc.Natl.Acad.Sci.USA, 112, 2015
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6W3Y
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![BU of 6w3y by Molmil](/molmil-images/mine/6w3y) | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-alanine | 分子名称: | ALANINE, CHLORIDE ION, GLYCEROL, ... | 著者 | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | 登録日 | 2020-03-09 | 公開日 | 2020-05-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3. Biomolecules, 10, 2020
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7TJF
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![BU of 7tjf by Molmil](/molmil-images/mine/7tjf) | S. cerevisiae ORC bound to 84 bp ARS1 DNA | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DNA, 84 bp ARS1, ... | 著者 | Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F. | 登録日 | 2022-01-16 | 公開日 | 2023-01-18 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6. Nat Commun, 13, 2022
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6WBR
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6TOS
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![BU of 6tos by Molmil](/molmil-images/mine/6tos) | Crystal structure of the Orexin-1 receptor in complex with GSK1059865 | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CITRIC ACID, Orexin receptor type 1, ... | 著者 | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | 登録日 | 2019-12-11 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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2MZA
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7TPK
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7TSW
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3MK2
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![BU of 3mk2 by Molmil](/molmil-images/mine/3mk2) | Placental alkaline phosphatase complexed with Phe | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Alkaline phosphatase, ... | 著者 | Stec, B, Cheltsov, A, Millan, J.L. | 登録日 | 2010-04-13 | 公開日 | 2011-01-19 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Refined structures of placental alkaline phosphatase show a consistent pattern of interactions at the peripheral site. Acta Crystallogr.,Sect.F, 66, 2010
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1SBE
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![BU of 1sbe by Molmil](/molmil-images/mine/1sbe) | SOYBEAN AGGLUTININ FROM GLYCINE MAX | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE (II) ION, ... | 著者 | Dessen, A, Olsen, L.R, Gupta, D, Sabesan, S, Sacchettini, J.C, Brewer, C.F. | 登録日 | 1995-07-13 | 公開日 | 1998-04-22 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | X-ray crystallographic studies of unique cross-linked lattices between four isomeric biantennary oligosaccharides and soybean agglutinin. Biochemistry, 36, 1997
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6TUK
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![BU of 6tuk by Molmil](/molmil-images/mine/6tuk) | Crystal structure of Fdr9 | 分子名称: | (R,R)-2,3-BUTANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Putative oxidoreductase, ... | 著者 | Rodriguez, A, Kluenemann, T, Blankenfeldt, W, Schallmey, A. | 登録日 | 2020-01-07 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Expression, purification and crystal structure determination of a ferredoxin reductase from the actinobacterium Thermobifida fusca. Acta Crystallogr.,Sect.F, 76, 2020
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6VL6
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3M9K
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![BU of 3m9k by Molmil](/molmil-images/mine/3m9k) | Crystal structure of human thioredoxin C69/73S double-mutant, oxidized form | 分子名称: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, SULFATE ION, Thioredoxin | 著者 | Weichsel, A, Montfort, W.R. | 登録日 | 2010-03-22 | 公開日 | 2010-08-11 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of human thioredoxin revealing an unraveled helix and exposed S-nitrosation site. Protein Sci., 19, 2010
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6VMY
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![BU of 6vmy by Molmil](/molmil-images/mine/6vmy) | Structure of the B. subtilis cobalamin riboswitch | 分子名称: | Adenosylcobalamin, B. subtilis cobalamin riboswitch, COBALT HEXAMMINE(III), ... | 著者 | Chan, C.W, Mondragon, A. | 登録日 | 2020-01-28 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Crystal structure of an atypical cobalamin riboswitch reveals RNA structural adaptability as basis for promiscuous ligand binding. Nucleic Acids Res., 48, 2020
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6W3T
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![BU of 6w3t by Molmil](/molmil-images/mine/6w3t) | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-norvaline | 分子名称: | GLYCEROL, Methyl-accepting chemotaxis protein, NORVALINE, ... | 著者 | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | 登録日 | 2020-03-09 | 公開日 | 2020-05-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3. Biomolecules, 10, 2020
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