3UWO
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![BU of 3uwo by Molmil](/molmil-images/mine/3uwo) | Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation | 分子名称: | 3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide, Thymidylate kinase | 著者 | Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R. | 登録日 | 2011-12-02 | 公開日 | 2012-02-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation. J.Med.Chem., 55, 2012
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5J3U
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![BU of 5j3u by Molmil](/molmil-images/mine/5j3u) | Co-crystal structure of the regulatory domain of Toxoplasma gondii PKA with cAMP | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GLYCEROL, Protein Kinase A | 著者 | El Bakkouri, M, Walker, J.R, Tempel, W, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lin, L, Structural Genomics Consortium (SGC) | 登録日 | 2016-03-31 | 公開日 | 2016-04-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Co-crystal structure of the regulatory domain of Toxoplasma gondii PKA with cAMP To Be Published
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5J7D
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![BU of 5j7d by Molmil](/molmil-images/mine/5j7d) | Computationally Designed Thioredoxin dF106 | 分子名称: | COPPER (II) ION, Designed Thioredoxin dF106 | 著者 | Horowitz, S, Johansen, N, Olsen, J.G, Winther, J.R. | 登録日 | 2016-04-06 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Computational Redesign of Thioredoxin Is Hypersensitive toward Minor Conformational Changes in the Backbone Template. J.Mol.Biol., 428, 2016
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6N94
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![BU of 6n94 by Molmil](/molmil-images/mine/6n94) | Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-amino(dethia)-CoA | 分子名称: | DI(HYDROXYETHYL)ETHER, IMIDAZOLE, Methylmalonyl-CoA decarboxylase, ... | 著者 | Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R. | 登録日 | 2018-11-30 | 公開日 | 2019-04-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies. J. Am. Chem. Soc., 141, 2019
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5IUT
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![BU of 5iut by Molmil](/molmil-images/mine/5iut) | STRUCTURE OF P450 2B4 F202W MUTANT | 分子名称: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Jang, H.-H, Halpert, J.R, Shah, M.B. | 登録日 | 2016-03-18 | 公開日 | 2016-06-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry. Biophys.Chem., 216, 2016
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1QBF
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1GU1
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![BU of 1gu1 by Molmil](/molmil-images/mine/1gu1) | Crystal structure of type II dehydroquinase from Streptomyces coelicolor complexed with 2,3-anhydro-quinic acid | 分子名称: | 2,3 -ANHYDRO-QUINIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, ... | 著者 | Roszak, A.W, Robinson, D.A, Krell, T, Hunter, I.S, Coggins, J.R, Lapthorn, A.J. | 登録日 | 2002-01-22 | 公開日 | 2002-04-12 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The Structure and Mechanism of the Type II Dehydroquinase from Streptomyces Coelicolor Structure, 10, 2002
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2VH0
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![BU of 2vh0 by Molmil](/molmil-images/mine/2vh0) | Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs | 分子名称: | 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | 著者 | Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Convery, M.A, Diallo, H, Hortense, E, Irving, W.R, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Zhou, P. | 登録日 | 2007-11-16 | 公開日 | 2008-11-25 | 最終更新日 | 2019-05-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs. Bioorg. Med. Chem. Lett., 18, 2008
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5K6H
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1H6R
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![BU of 1h6r by Molmil](/molmil-images/mine/1h6r) | The oxidized state of a redox sensitive variant of green fluorescent protein | 分子名称: | CHLORIDE ION, GREEN FLUORESCENT PROTEIN | 著者 | Ostergaard, H, Henriksen, A, Hansen, F.G, Winther, J.R. | 登録日 | 2001-06-22 | 公開日 | 2001-11-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Shedding Light on Disulfide Bond Formation: Engineering a Redox Switch in Green Fluorescent Protein Embo J., 20, 2001
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6N3F
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![BU of 6n3f by Molmil](/molmil-images/mine/6n3f) | Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to SF3b1 ULM5 | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, HIV Tat-specific factor 1, ... | 著者 | Leach, J.R, Jenkins, J.L, Kielkopf, C.L. | 登録日 | 2018-11-15 | 公開日 | 2019-01-02 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | 主引用文献 | The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface. J. Biol. Chem., 294, 2019
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2UWP
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![BU of 2uwp by Molmil](/molmil-images/mine/2uwp) | Factor Xa inhibitor complex | 分子名称: | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | 著者 | Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P, Thorpe, J.H. | 登録日 | 2007-03-22 | 公開日 | 2007-05-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa. Bioorg.Med.Chem.Lett., 17, 2007
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4PPN
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![BU of 4ppn by Molmil](/molmil-images/mine/4ppn) | Mycobacterium tuberculosis RecA citrate bound low temperature structure IIA-BN | 分子名称: | 1,2-ETHANEDIOL, CITRATE ANION, Protein RecA, ... | 著者 | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | 登録日 | 2014-02-27 | 公開日 | 2015-03-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability J.Biosci., 40, 2015
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4PO9
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![BU of 4po9 by Molmil](/molmil-images/mine/4po9) | Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-BR | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ... | 著者 | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | 登録日 | 2014-02-25 | 公開日 | 2015-03-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability J.Biosci., 40, 2015
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6N97
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![BU of 6n97 by Molmil](/molmil-images/mine/6n97) | Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-amino(dethia)-CoA | 分子名称: | (2R)-sulfonatepropionyl-amino(dethia)-CoA, (2S)-sulfonatepropionyl-amino(dethia)-CoA, IMIDAZOLE, ... | 著者 | Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R. | 登録日 | 2018-11-30 | 公開日 | 2019-04-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies. J. Am. Chem. Soc., 141, 2019
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6MM4
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4PSV
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![BU of 4psv by Molmil](/molmil-images/mine/4psv) | Mycobacterium tuberculosis RecA phosphate bound room temperature structure I-RT | 分子名称: | PHOSPHATE ION, Protein RecA, 1st part, ... | 著者 | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | 登録日 | 2014-03-08 | 公開日 | 2015-03-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability J.Biosci., 40, 2015
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3WDW
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![BU of 3wdw by Molmil](/molmil-images/mine/3wdw) | The apo-form structure of E113A from Paecilomyces thermophila | 分子名称: | Beta-1,3-1,4-glucanase, SULFATE ION | 著者 | Cheng, Y.S, Huang, C.H, Chen, C.C, Huang, T.Y, Ko, T.P, Huang, J.W, Wu, T.H, Liu, J.R, Guo, R.T. | 登録日 | 2013-06-25 | 公開日 | 2014-07-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural and mutagenetic analyses of a 1,3-1,4-beta-glucanase from Paecilomyces thermophila Biochim.Biophys.Acta, 1844, 2014
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4PO1
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![BU of 4po1 by Molmil](/molmil-images/mine/4po1) | Mycobacterium tuberculosis RecA glycerol bound room temperature structure IIC-RT | 分子名称: | GLYCEROL, Protein RecA | 著者 | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | 登録日 | 2014-02-23 | 公開日 | 2015-03-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability J.Biosci., 40, 2015
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1GS9
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![BU of 1gs9 by Molmil](/molmil-images/mine/1gs9) | Apolipoprotein E4, 22k domain | 分子名称: | APOLIPOPROTEIN E | 著者 | Verderame, J.R, Kantardjieff, K, Segelke, B, Weisgraber, K, Rupp, B. | 登録日 | 2002-01-02 | 公開日 | 2003-06-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal Structure of the 22K Domain of Human Apolipoprotein E4 To be Published
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5J3N
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![BU of 5j3n by Molmil](/molmil-images/mine/5j3n) | C-terminal domain of EcoR124I HsdR subunit fused with the pH-sensitive GFP variant ratiometric pHluorin | 分子名称: | Green fluorescent protein,HsdR | 著者 | Grinkevich, P, Iermak, I, Luedtke, N, Mesters, J.R, Ettrich, R, Ludwig, J. | 登録日 | 2016-03-31 | 公開日 | 2017-04-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Crystal structure of a novel domain of the motor subunit of the Type I restriction enzyme EcoR124 involved in complex assembly and DNA binding. J. Biol. Chem., 293, 2018
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2VKI
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![BU of 2vki by Molmil](/molmil-images/mine/2vki) | Structure of the PDK1 PH domain K465E mutant | 分子名称: | 3-PHOPSHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, SULFATE ION | 著者 | Komander, D, Bayascas, J.R, Deak, M, Alessi, D.R, van Aalten, D.M.F. | 登録日 | 2007-12-19 | 公開日 | 2008-05-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Mutation of the Pdk1 Ph Domain Inhibits Protein Kinase B/Akt, Leading to Small Size and Insulin Resistance. Mol.Cell.Biol., 28, 2008
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2V7Q
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![BU of 2v7q by Molmil](/molmil-images/mine/2v7q) | The structure of F1-ATPase inhibited by I1-60HIS, a monomeric form of the inhibitor protein, IF1. | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP SYNTHASE DELTA CHAIN, ... | 著者 | Gledhill, J.R, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | 登録日 | 2007-07-31 | 公開日 | 2007-09-18 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | How the Regulatory Protein, If1, Inhibits F1- ATPase from Bovine Mitochondria. Proc.Natl.Acad.Sci.USA, 104, 2007
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1SCS
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![BU of 1scs by Molmil](/molmil-images/mine/1scs) | HIGH-RESOLUTION STRUCTURES OF SINGLE-METAL-SUBSTITUTED CONCANAVALIN A: THE CO,CA-PROTEIN AT 1.6 ANGSTROMS AND THE NI,CA-PROTEIN AT 2.0 ANGSTROMS | 分子名称: | CALCIUM ION, COBALT (II) ION, CONCANAVALIN A | 著者 | Emmerich, C, Helliwell, J.R, Redshaw, M, Naismith, J.H, Harrop, S.J, Raftery, J, Kalb, A.J, Yariv, J, Dauter, Z, Wilson, K.S. | 登録日 | 1993-12-06 | 公開日 | 1994-05-31 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | High-resolution structures of single-metal-substituted concanavalin A: the Co,Ca-protein at 1.6 A and the Ni,Ca-protein at 2.0 A. Acta Crystallogr.,Sect.D, 50, 1994
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3UNX
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![BU of 3unx by Molmil](/molmil-images/mine/3unx) | Bond length analysis of asp, glu and his residues in subtilisin Carlsberg at 1.26A resolution | 分子名称: | CALCIUM ION, GLYCEROL, SODIUM ION, ... | 著者 | Fisher, S.J, Helliwell, J.R, Blakeley, M.P, Cianci, M, McSweeny, S. | 登録日 | 2011-11-16 | 公開日 | 2012-06-27 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Protonation-state determination in proteins using high-resolution X-ray crystallography: effects of resolution and completeness. Acta Crystallogr.,Sect.D, 68, 2012
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