4MUG
 
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2YJB
 | | CATHEPSIN L WITH A NITRILE INHIBITOR | | 分子名称: | (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL | | 著者 | Banner, D.W, Benz, J.M, Haap, W. | | 登録日 | 2011-05-19 | | 公開日 | 2011-11-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments.
Chemmedchem, 6, 2011
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3KED
 | | Crystal structure of Aminopeptidase N in complex with 2,4-diaminobutyric acid | | 分子名称: | 2,4-DIAMINOBUTYRIC ACID, Aminopeptidase N, GLYCEROL, ... | | 著者 | Addlagatta, A, Gumpena, R. | | 登録日 | 2009-10-25 | | 公開日 | 2010-11-03 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of alpha, beta- and alpha, gamma-Diamino Acid Scaffolds for the Inhibition of M1 Family Aminopeptidases
Chemmedchem, 6, 2011
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3P8X
 | | Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1alpha,25-Dihydroxyvitamin D3 with Substituents at C-18 | | 分子名称: | (1R,3S,5Z)-5-{(2E)-2-[(3aR,7aS)-7a-(7-hydroxy-7-methyloctyl)octahydro-4H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol, SULFATE ION, Vitamin D3 receptor | | 著者 | Rochel, N, Sato, Y, Moras, D. | | 登録日 | 2010-10-15 | | 公開日 | 2011-08-31 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1 ,25-Dihydroxyvitamin D3 with Substituents at C-18
Chemmedchem, 6, 2011
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4MUJ
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4MUL
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3PDQ
 | | Crystal structure of JMJD2A complexed with bipyridyl inhibitor | | 分子名称: | 4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid, CHLORIDE ION, Lysine-specific demethylase 4A, ... | | 著者 | King, O.N.F, Chang, K.-H, Rose, N.R, Clifton, I.J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2010-10-23 | | 公開日 | 2011-03-30 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.989 Å) | | 主引用文献 | Inhibition of histone demethylases by 4-carboxy-2,2'-bipyridyl compounds
Chemmedchem, 6, 2011
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2DOO
 | | The structure of IMP-1 complexed with the detecting reagent (DansylC4SH) by a fluorescent probe | | 分子名称: | BETA-LACTAMASE IMP-1, N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-3-SULFANYLPROPANAMIDE, ZINC ION | | 著者 | Kurosaki, H, Yamaguchi, Y, Yasuzawa, H, Jin, W, Yamagata, Y, Arakawa, Y. | | 登録日 | 2006-05-01 | | 公開日 | 2006-11-28 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Probing, inhibition, and crystallographic characterization of metallo-beta-lactamase (IMP-1) with fluorescent agents containing dansyl and thiol groups
Chemmedchem, 1, 2006
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4MUI
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3GS4
 | | Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid (inhibitor 15) | | 分子名称: | 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin | | 著者 | Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C. | | 登録日 | 2009-03-26 | | 公開日 | 2009-07-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
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3GS0
 | | Human transthyretin (TTR) complexed with (S)-3-(9H-fluoren-9-ylideneaminooxy)-2-methylpropanoic acid (inhibitor 16) | | 分子名称: | (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, Transthyretin | | 著者 | Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C. | | 登録日 | 2009-03-26 | | 公開日 | 2009-07-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
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3PKC
 | | M. tuberculosis MetAP with bengamide analog Y08, in Mn form | | 分子名称: | (E,2R,3R,4S,5R)-N-[[(3S)-1-cyclopropylcarbonylpiperidin-3-yl]methyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase | | 著者 | Ye, Q.Z, Lu, J.P. | | 登録日 | 2010-11-11 | | 公開日 | 2011-04-20 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidases by Bengamide Derivatives.
Chemmedchem, 6, 2011
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3PKA
 | | M. tuberculosis MetAP with bengamide analog Y02, in Mn form | | 分子名称: | (2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]non-6-enamide, CHLORIDE ION, MANGANESE (II) ION, ... | | 著者 | Ye, Q.Z, Lu, J.P. | | 登録日 | 2010-11-11 | | 公開日 | 2011-04-20 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidases by Bengamide Derivatives.
Chemmedchem, 6, 2011
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7ZWG
 | | The Crystal structure of RO4493940 bound to CK2alpha | | 分子名称: | (5~{Z})-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | | 著者 | Brear, P, Hyvonen, M. | | 登録日 | 2022-05-19 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 20, 2024
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4I5M
 | | Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain | | 分子名称: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK2 | | 著者 | Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P, Neitz, R.J, Yao, N, Lin, M, Tonn, G, Zhang, H, Bova, M.P, Ren, Z, Tam, D, Ruslim, L, Baker, J, Diep, L, Fitzgerald, K, Hoffman, J, Motter, R, Fauss, D, Tanaka, P, Dappen, M, Jagodzinski, J, Chan, W, Konradi, A.W, Latimer, L, Zhu, Y.L, Artis, D.R, Sham, H.L, Anderson, J.P, Bergeron, M. | | 登録日 | 2012-11-28 | | 公開日 | 2013-12-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | | 主引用文献 | Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
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8AG2
 | | Crystal structure of the BPTF bromodomain in complex with BI-7190 | | 分子名称: | 5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one, Nucleosome-remodeling factor subunit BPTF | | 著者 | Bader, G, Boettcher, J, Wolkerstorfer, B. | | 登録日 | 2022-07-19 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.025 Å) | | 主引用文献 | Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments.
Chemmedchem, 18, 2023
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8Q2G
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8RH1
 | | Trimeric HSV-2F gB ectodomain in postfusion conformation with three bound HDIT101 Fab molecules. | | 分子名称: | Envelope glycoprotein B, HDIT101 Fab heavy chain, HDIT101 Fab light chain | | 著者 | Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M. | | 登録日 | 2023-12-14 | | 公開日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.45 Å) | | 主引用文献 | Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus.
J.Biomed.Sci., 31, 2024
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8RGZ
 | | Trimeric HSV-1F gB ectodomain in postfusion conformation with three bound HDIT101 Fab molecules. | | 分子名称: | Envelope glycoprotein B, HDIT101 Fab heavy chain, HDIT101 Fab light chain | | 著者 | Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M. | | 登録日 | 2023-12-14 | | 公開日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | | 主引用文献 | Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus.
J.Biomed.Sci., 31, 2024
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8RH2
 | | Trimeric HSV-2G gB ectodomain in postfusion conformation with three bound HDIT102 Fab molecules. | | 分子名称: | Envelope glycoprotein B, HDIT102 Fab heavy chain, HDIT102 Fab light chain | | 著者 | Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M. | | 登録日 | 2023-12-14 | | 公開日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | | 主引用文献 | Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus.
J.Biomed.Sci., 31, 2024
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3FT8
 | | Structure of HSP90 bound with a noval fragment. | | 分子名称: | (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime, Heat shock protein HSP 90-alpha | | 著者 | Barker, J.B, Cheng, R.K.Y, Palan, S, Felicetti, B. | | 登録日 | 2009-01-12 | | 公開日 | 2009-06-30 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Fragment-based identification of Hsp90 inhibitors.
Chemmedchem, 4, 2009
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3FT5
 | | Structure of HSP90 bound with a novel fragment | | 分子名称: | 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine, Heat shock protein HSP 90-alpha | | 著者 | Barker, J.B, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B. | | 登録日 | 2009-01-12 | | 公開日 | 2009-05-05 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Fragment-based Identification of Hsp90 Inhibitors.
Chemmedchem, 4, 2009
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2WV8
 | | Complex of human dihydroorotate dehydrogenase with the inhibitor 221290 | | 分子名称: | 2-ACETAMIDO-5-(4-PHENYLPHENYL)BENZOIC ACID, ACETATE ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ... | | 著者 | Walse, B, Svensson, B, Fritzson, I, Dahlberg, L, Wellmar, U, Al-Karadaghi, S. | | 登録日 | 2009-10-15 | | 公開日 | 2010-08-25 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Inhibition of Human Dhodh by 4-Hydroxycoumarins, Fenamic Acids, and N-(Alkylcarbonyl)Anthranilic Acids Identified by Structure-Guided Fragment Selection.
Chemmedchem, 5, 2010
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3QJX
 | | Crystal Structure of E. coli Aminopeptidase N in complex with L-Serine | | 分子名称: | Aminopeptidase N, GLYCEROL, MALONATE ION, ... | | 著者 | Addlagatta, A, Gumpena, R, Kishor, C, Ganji, R.J. | | 登録日 | 2011-01-31 | | 公開日 | 2011-11-16 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Discovery of alpha, beta- and alpha, gamma-Diamino Acid Scaffolds for the Inhibition of M1 Family Aminopeptidases
Chemmedchem, 6, 2011
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8P4L
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