4CAU
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![BU of 4cau by Molmil](/molmil-images/mine/4cau) | THREE-DIMENSIONAL STRUCTURE OF DENGUE VIRUS SEROTYPE 1 COMPLEXED WITH 2 HMAB 14C10 FAB | 分子名称: | ENVELOPE PROTEIN E, FAB 14C10 | 著者 | Teoh, E.P, Kukkaro, P, Teo, E.W, Lim, A.P, Tan, T.T, Yip, A, Schul, W, Aung, M, Kostyuchenko, V.A, Leo, Y.S, Chan, S.H, Smith, K.G, Chan, A.H, Zou, G, Ooi, E.E, Kemeny, D.M, Tan, G.K, Ng, J.K, Ng, M.L, Alonso, S, Fisher, D, Shi, P.Y, Hanson, B.J, Lok, S.M, Macary, P.A. | 登録日 | 2013-10-09 | 公開日 | 2013-10-16 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (7 Å) | 主引用文献 | The Structural Basis for Serotype-Specific Neutralization of Dengue Virus by a Human Antibody. Sci.Trans.Med, 4, 2012
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4NW5
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4J3D
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![BU of 4j3d by Molmil](/molmil-images/mine/4j3d) | Pseudomonas aeruginosa LpxC in complex with a hydroxamate inhibitor | 分子名称: | N~1~-hydroxy-N~5~-(3-hydroxypropyl)-N~2~-[4-(phenylethynyl)benzoyl]-L-glutamamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION | 著者 | Lahiri, S. | 登録日 | 2013-02-05 | 公開日 | 2013-04-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Exploring the UDP pocket of LpxC through amino acid analogs. Bioorg.Med.Chem.Lett., 23, 2013
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3EFI
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![BU of 3efi by Molmil](/molmil-images/mine/3efi) | Carbonic anhydrase activators: Kinetic and X-ray crystallographic study for the interaction of d- and l-tryptophan with the mammalian isoforms I-XIV | 分子名称: | Carbonic anhydrase 2, MERCURIBENZOIC ACID, TRYPTOPHAN, ... | 著者 | Temperini, C, Innocenti, A, Scozzafava, A, Supuran, C.T. | 登録日 | 2008-09-09 | 公開日 | 2008-09-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Carbonic anhydrase activators: kinetic and X-ray crystallographic study for the interaction of D- and L-tryptophan with the mammalian isoforms I-XIV Bioorg.Med.Chem., 16, 2008
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3CS7
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![BU of 3cs7 by Molmil](/molmil-images/mine/3cs7) | FACTOR XA IN COMPLEX WITH THE INHIBITOR 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one | 分子名称: | 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one, CALCIUM ION, Coagulation factor X | 著者 | Alexander, R.S. | 登録日 | 2008-04-09 | 公開日 | 2008-07-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Achieving structural diversity using the perpendicular conformation of alpha-substituted phenylcyclopropanes to mimic the bioactive conformation of ortho-substituted biphenyl P4 moieties: discovery of novel, highly potent inhibitors of Factor Xa. Bioorg.Med.Chem.Lett., 18, 2008
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4O7U
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![BU of 4o7u by Molmil](/molmil-images/mine/4o7u) | Etherocomplex of Enteroccocus faecalis thymidylate synthase with 5-hydroxymethilene-6-hydrofolic acid and the phtalimidic inhibitor SS7 | 分子名称: | 1,2-ETHANEDIOL, 4-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate, 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, ... | 著者 | Mangani, S, Pozzi, C. | 登録日 | 2013-12-26 | 公開日 | 2014-12-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | X-ray crystal structures of Enterococcus faecalis thymidylate synthase with folate binding site inhibitors. Eur.J.Med.Chem., 123, 2016
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4OQ5
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![BU of 4oq5 by Molmil](/molmil-images/mine/4oq5) | Crystal Structure of Human MCL-1 Bound to Inhibitor 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid | 分子名称: | 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C. | 登録日 | 2014-02-07 | 公開日 | 2014-03-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | 主引用文献 | Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein. Bioorg.Med.Chem.Lett., 24, 2014
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3B3P
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![BU of 3b3p by Molmil](/molmil-images/mine/3b3p) | Structure of neuronal nos heme domain in complex with a inhibitor (+-)-n1-{cis-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-n2-(4'-chlorobenzyl)ethane-1,2-diamine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine, ... | 著者 | Igarashi, J, Li, H, Poulos, T.L. | 登録日 | 2007-10-22 | 公開日 | 2008-11-04 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors. J.Med.Chem., 52, 2009
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4PNC
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![BU of 4pnc by Molmil](/molmil-images/mine/4pnc) | E. COLI METHIONINE AMINOPEPTIDASE IN COMPLEX WITH INHIBITOR 7-METHOXY-2-METHYLEN-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE | 分子名称: | (2S)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one, COBALT (II) ION, Methionine aminopeptidase, ... | 著者 | Scheidig, A.J, Altmeyer, M, Klein, C.D. | 登録日 | 2014-05-23 | 公開日 | 2014-07-23 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Beta-aminoketones as prodrugs for selective irreversible inhibitors of type-1 methionine aminopeptidases. Bioorg.Med.Chem.Lett., 24, 2014
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4HEV
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![BU of 4hev by Molmil](/molmil-images/mine/4hev) | Clostridium Botulinum Serotype A Light Chain Inhibited By Adamantane Hydroxamate | 分子名称: | Botulinum neurotoxin type A light chain, N-hydroxy-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide, ZINC ION | 著者 | Silvaggi, N.R, Allen, K.N. | 登録日 | 2012-10-04 | 公開日 | 2013-01-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Evaluation of adamantane hydroxamates as botulinum neurotoxin inhibitors: synthesis, crystallography, modeling, kinetic and cellular based studies. Bioorg.Med.Chem., 21, 2013
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4RXY
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4OQ6
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![BU of 4oq6 by Molmil](/molmil-images/mine/4oq6) | Crystal Structure of Human MCL-1 Bound to Inhibitor 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid | 分子名称: | 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C. | 登録日 | 2014-02-07 | 公開日 | 2014-03-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein. Bioorg.Med.Chem.Lett., 24, 2014
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4U5L
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4U5V
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![BU of 4u5v by Molmil](/molmil-images/mine/4u5v) | IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR | 分子名称: | Importin subunit alpha-1, N~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-L-lysinamide | 著者 | Stewart, M, Valkov, E, Holvey, R.S. | 登録日 | 2014-07-25 | 公開日 | 2015-05-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.968 Å) | 主引用文献 | Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design. Chemmedchem, 10, 2015
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4HKK
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![BU of 4hkk by Molmil](/molmil-images/mine/4hkk) | Complex structure of human tankyrase 2 with apigenin | 分子名称: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | 著者 | Narwal, M, Haikarainen, T, Lehtio, L. | 登録日 | 2012-10-15 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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4HLK
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![BU of 4hlk by Molmil](/molmil-images/mine/4hlk) | Crystal structure of Tankyrase 2 in complex with 4'-methylflavone | 分子名称: | 2-(4-methylphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Narwal, M, Haikarainen, T, Lehtio, L. | 登録日 | 2012-10-17 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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4HLM
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![BU of 4hlm by Molmil](/molmil-images/mine/4hlm) | Crystal structure of Tankyrase 2 in complex with 3',4'-Dihydroxyflavone | 分子名称: | 2-(3,4-dihydroxyphenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Narwal, M, Haikarainen, T, Lehtio, L. | 登録日 | 2012-10-17 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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4HMH
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![BU of 4hmh by Molmil](/molmil-images/mine/4hmh) | Crystal structure of tankyrase 2 in complex with 7,3-dihydroxyflavone | 分子名称: | 7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Narwal, M, Haikarainen, T, Lehtio, L. | 登録日 | 2012-10-18 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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4WIC
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![BU of 4wic by Molmil](/molmil-images/mine/4wic) | Immediate-early 1 protein (IE1) of rhesus macaque cytomegalovirus | 分子名称: | RhUL123 | 著者 | Klingl, S, Scherer, M, Sevvana, M, Muller, Y.A, Stamminger, T. | 登録日 | 2014-09-25 | 公開日 | 2015-07-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Controlled crystal dehydration triggers a space-group switch and shapes the tertiary structure of cytomegalovirus immediate-early 1 (IE1) protein. Acta Crystallogr.,Sect.D, 71, 2015
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4HLF
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![BU of 4hlf by Molmil](/molmil-images/mine/4hlf) | Crystal structure of Tankyrase 2 in complex with 7,3',4'-Trihydroxyflavone | 分子名称: | 2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Narwal, M, Haikarainen, T, Lehtio, L. | 登録日 | 2012-10-17 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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4HLG
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![BU of 4hlg by Molmil](/molmil-images/mine/4hlg) | Crystal structure of Tankyrase 2 in complex with 3'-hydroxyflavone | 分子名称: | 2-(3-hydroxyphenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Narwal, M, Haikarainen, T, Lehtio, L. | 登録日 | 2012-10-17 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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4HKI
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![BU of 4hki by Molmil](/molmil-images/mine/4hki) | Tankyrase 2 in complex with flavone | 分子名称: | 2-PHENYL-4H-CHROMEN-4-ONE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Narwal, M, Haikarainen, T, Lehtio, L. | 登録日 | 2012-10-15 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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4HLH
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![BU of 4hlh by Molmil](/molmil-images/mine/4hlh) | Crystal structure of Tankyrase 2 in complex with 4'-fluoroflavone | 分子名称: | 2-(4-fluorophenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Narwal, M, Haikarainen, T, Lehtio, L. | 登録日 | 2012-10-17 | 公開日 | 2012-10-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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4HL5
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![BU of 4hl5 by Molmil](/molmil-images/mine/4hl5) | Complex structure of human tankyrase 2 with 7-hydroxy -4'-methoxyflavone | 分子名称: | 7-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | 著者 | Narwal, M, Haikarainen, T, Lehtio, L. | 登録日 | 2012-10-16 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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4HKN
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![BU of 4hkn by Molmil](/molmil-images/mine/4hkn) | Complex structure of human tankyrase 2 with luteolin | 分子名称: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, SULFATE ION, Tankyrase-2, ... | 著者 | Narwal, M, Haikarainen, T, Lehtio, L. | 登録日 | 2012-10-15 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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