3GY7
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![BU of 3gy7 by Molmil](/molmil-images/mine/3gy7) | A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC | 分子名称: | 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ... | 著者 | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | 登録日 | 2009-04-03 | 公開日 | 2010-03-23 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model. Int.J.Biol.Macromol., 46, 2010
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3E3T
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![BU of 3e3t by Molmil](/molmil-images/mine/3e3t) | Structure of porcine pancreatic elastase with the magic triangle I3C | 分子名称: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Elastase-1, IODIDE ION, ... | 著者 | Beck, T, Gruene, T, Sheldrick, G.M. | 登録日 | 2008-08-08 | 公開日 | 2008-10-28 | 最終更新日 | 2012-04-11 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A magic triangle for experimental phasing of macromolecules Acta Crystallogr.,Sect.D, 64, 2008
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3E3S
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![BU of 3e3s by Molmil](/molmil-images/mine/3e3s) | Structure of thaumatin with the magic triangle I3C | 分子名称: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, L(+)-TARTARIC ACID, POTASSIUM ION, ... | 著者 | Beck, T, Gruene, T, Sheldrick, G.M. | 登録日 | 2008-08-08 | 公開日 | 2008-10-28 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | A magic triangle for experimental phasing of macromolecules Acta Crystallogr.,Sect.D, 64, 2008
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3E64
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![BU of 3e64 by Molmil](/molmil-images/mine/3e64) | Fragment based discovery of JAK-2 inhibitors | 分子名称: | 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide, Tyrosine-protein kinase JAK2 | 著者 | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | 登録日 | 2008-08-14 | 公開日 | 2008-10-14 | 最終更新日 | 2012-02-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Fragment-based discovery of JAK-2 inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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3E3D
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![BU of 3e3d by Molmil](/molmil-images/mine/3e3d) | Structure of hen egg white lysozyme with the magic triangle I3C | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Lysozyme C | 著者 | Beck, T, Gruene, T, Sheldrick, G.M. | 登録日 | 2008-08-07 | 公開日 | 2008-10-28 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | A magic triangle for experimental phasing of macromolecules Acta Crystallogr.,Sect.D, 64, 2008
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3EKO
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3EKR
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![BU of 3ekr by Molmil](/molmil-images/mine/3ekr) | |
6O52
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![BU of 6o52 by Molmil](/molmil-images/mine/6o52) | |
6O50
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![BU of 6o50 by Molmil](/molmil-images/mine/6o50) | Binary complex of native hAChE with BW284c51 | 分子名称: | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase, GLYCEROL, ... | 著者 | Gerlits, O, Kovalevsky, A, Radic, Z. | 登録日 | 2019-03-01 | 公開日 | 2019-06-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.352 Å) | 主引用文献 | A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies. Chem.Biol.Interact., 309, 2019
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6O43
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![BU of 6o43 by Molmil](/molmil-images/mine/6o43) | Crystal structure of a lysin protein from Staphylococcus phage P68 | 分子名称: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Orf11 | 著者 | Truong, J.Q. | 登録日 | 2019-02-27 | 公開日 | 2019-07-10 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.08222985 Å) | 主引用文献 | Combining random microseed matrix screening and the magic triangle for the efficient structure solution of a potential lysin from bacteriophage P68. Acta Crystallogr D Struct Biol, 75, 2019
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3D27
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![BU of 3d27 by Molmil](/molmil-images/mine/3d27) | E. coli methionine aminopeptidase with Fe inhibitor W29 | 分子名称: | 4-(3-ethylthiophen-2-yl)benzene-1,2-diol, MANGANESE (II) ION, Methionine aminopeptidase | 著者 | Ye, Q.Z, Chai, S, He, H.Z. | 登録日 | 2008-05-07 | 公開日 | 2008-08-19 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of inhibitors of Escherichia coli methionine aminopeptidase with the Fe(II)-form selectivity and antibacterial activity. J.Med.Chem., 51, 2008
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3CID
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![BU of 3cid by Molmil](/molmil-images/mine/3cid) | Structure of BACE Bound to SCH726222 | 分子名称: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | 著者 | Strickland, C, Cumming, J. | 登録日 | 2008-03-11 | 公開日 | 2008-06-10 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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3CIB
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![BU of 3cib by Molmil](/molmil-images/mine/3cib) | Structure of BACE Bound to SCH727596 | 分子名称: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | 著者 | Strickland, C, Cumming, J. | 登録日 | 2008-03-11 | 公開日 | 2008-06-10 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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3CJG
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![BU of 3cjg by Molmil](/molmil-images/mine/3cjg) | Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine | 分子名称: | N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine, SULFATE ION, Vascular endothelial growth factor receptor 2 | 著者 | Nolte, R.T. | 登録日 | 2008-03-12 | 公開日 | 2008-10-07 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor. J.Med.Chem., 51, 2008
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3CPB
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![BU of 3cpb by Molmil](/molmil-images/mine/3cpb) | Crystal structure of the VEGFR2 kinase domain in complex with a bisamide inhibitor | 分子名称: | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide, Vascular endothelial growth factor receptor 2 | 著者 | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | 登録日 | 2008-03-31 | 公開日 | 2008-06-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit. J.Med.Chem., 51, 2008
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3DA2
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![BU of 3da2 by Molmil](/molmil-images/mine/3da2) | X-ray structure of human carbonic anhydrase 13 in complex with inhibitor | 分子名称: | CHLORIDE ION, Carbonic anhydrase 13, N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide, ... | 著者 | Pilka, E.S, Picaud, S.S, Yue, W.W, King, O.N.F, Bray, J.E, Filippakopoulos, P, Roos, A.K, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Wikstrom, M, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | 登録日 | 2008-05-28 | 公開日 | 2008-07-15 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | X-ray structure of human carbonic anhydrase 13 in complex with inhibitor. To be Published
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3DM6
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![BU of 3dm6 by Molmil](/molmil-images/mine/3dm6) | Beta-secretase 1 complexed with statine-based inhibitor | 分子名称: | 5-[[(2S)-2-[[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid, Beta-secretase 1, ISOPROPYL ALCOHOL | 著者 | Lindberg, J, Borkakoti, N, Nystrom, S. | 登録日 | 2008-06-30 | 公開日 | 2008-12-16 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Design, synthesis and SAR of potent statine-based BACE-1 inhibitors: exploration of P1 phenoxy and benzyloxy residues Bioorg.Med.Chem., 16, 2008
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6PBB
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![BU of 6pbb by Molmil](/molmil-images/mine/6pbb) | Crystal structure of Hen Egg White Lysozyme in complex with I3C | 分子名称: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CHLORIDE ION, Lysozyme | 著者 | Truong, J.Q. | 登録日 | 2019-06-13 | 公開日 | 2019-07-10 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (1.89151084 Å) | 主引用文献 | Combining random microseed matrix screening and the magic triangle for the efficient structure solution of a potential lysin from bacteriophage P68. Acta Crystallogr D Struct Biol, 75, 2019
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6P12
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![BU of 6p12 by Molmil](/molmil-images/mine/6p12) | Structure of spastin AAA domain (wild-type) in complex with diaminotriazole-based inhibitor | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1H-1,2,4-triazol-3-yl]amino}-N-methylbenzamide, Drosophila melanogaster Spastin AAA domain, ... | 著者 | Pisa, R, Cupido, T, Kapoor, T.M. | 登録日 | 2019-05-17 | 公開日 | 2019-07-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.94131851 Å) | 主引用文献 | Analyzing Resistance to Design Selective Chemical Inhibitors for AAA Proteins. Cell Chem Biol, 26, 2019
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6P14
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![BU of 6p14 by Molmil](/molmil-images/mine/6p14) | Structure of spastin AAA domain (T692A mutant) in complex with a diaminotriazole-based inhibitor (crystal form B) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1H-1,2,4-triazol-3-yl]amino}-N-methylbenzamide, ACETATE ION, ... | 著者 | Pisa, R, Cupido, T, Kapoor, T.M. | 登録日 | 2019-05-17 | 公開日 | 2019-07-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.93001127 Å) | 主引用文献 | Analyzing Resistance to Design Selective Chemical Inhibitors for AAA Proteins. Cell Chem Biol, 26, 2019
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6P13
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![BU of 6p13 by Molmil](/molmil-images/mine/6p13) | Structure of spastin AAA domain (T692A mutant) in complex with a diaminotriazole-based inhibitor (crystal form A) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1H-1,2,4-triazol-3-yl]amino}-N-methylbenzamide, SULFATE ION, ... | 著者 | Pisa, R, Cupido, T, Kapoor, T.M. | 登録日 | 2019-05-17 | 公開日 | 2019-08-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Analyzing Resistance to Design Selective Chemical Inhibitors for AAA Proteins. Cell Chem Biol, 26, 2019
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6P9B
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6PZP
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3FTX
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![BU of 3ftx by Molmil](/molmil-images/mine/3ftx) | Leukotriene A4 hydrolase in complex with dihydroresveratrol and bestatin | 分子名称: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol, ACETATE ION, ... | 著者 | Davies, D.R. | 登録日 | 2009-01-13 | 公開日 | 2009-07-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
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3E33
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![BU of 3e33 by Molmil](/molmil-images/mine/3e33) | |