Author results

1JPY
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CRYSTAL STRUCTURE OF IL-17F
分子名称:interleukin 17F, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, N-ACETYL-D-GLUCOSAMINE, ...
著者Hymowitz, S.G., Filvaroff, E.H., Yin, J., Lee, J., Cai, L., Risser, P., Maruoka, M., Mao, W., Foster, J., Kelley, R., Pan, G., Gurney, A.L., de Vos, A.M., Starovasnik, M.A.
登録日2001-08-03
公開日2001-09-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献IL-17s adopt a cystine knot fold: structure and activity of a novel cytokine, IL-17F, and implications for receptor binding.
EMBO J., 20, 2001
2PZY
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STRUCTURE OF MK2 COMPLEXED WITH COMPOUND 76
分子名称:MAP kinase-activated protein kinase 2, (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE, STAUROSPORINE
著者White, A., Wu, J.P., Wang, J., Abeywardane, A., Andersen, D., Emmanuel, M., Gautschi, E., Goldberg, D.R., Kashem, M.A., Lukas, S., Mao, W., Martin, L., Morwick, T., Moss, N., Pargellis, C., Patel, U.R., Patnaude, L., Peet, G.W., Skow, D., Snow, R.J., Ward, Y., Werneburg, B.
登録日2007-05-18
公開日2007-07-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The discovery of carboline analogs as potent MAPKAP-K2 inhibitors
Bioorg.Med.Chem.Lett., 17, 2007
2V0C
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LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A SULPHAMOYL ANALOGUE OF LEUCYL-ADENYLATE IN THE SYNTHETIC SITE AND AN ADDUCT OF AMP WITH 5-FLUORO-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROLE (AN2690) IN THE EDITING SITE
分子名称:AMINOACYL-TRNA SYNTHETASE, LEUCINE, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE, ...
著者Rock, F., Mao, W., Yaremchuk, A., Tukalo, M., Crepin, T., Zhou, H., Zhang, Y., Hernandez, V., Akama, T., Baker, S., Plattner, J., Shapiro, L., Martinis, S.A., Benkovic, S.J., Cusack, S., Alley, M.R.K.
登録日2007-05-14
公開日2007-07-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An Antifungal Agent Inhibits an Aminoacyl-tRNA Synthetase by Trapping tRNA in the Editing Site.
Science, 316, 2007
2V0G
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LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A TRNA(LEU) TRANSCRIPT WITH 5-FLUORO-1,3-DIHYDRO-1-HYDROXY-2,1- BENZOXABOROLE (AN2690) FORMING AN ADDUCT TO THE RIBOSE OF ADENOSINE- 76 IN THE ENZYME EDITING SITE.
分子名称:AMINOACYL-TRNA SYNTHETASE, TRNALEU, LEUCINE, ...
著者Rock, F., Mao, W., Yaremchuk, A., Tukalo, M., Crepin, T., Zhou, H., Zhang, Y., Hernandez, V., Akama, T., Baker, S., Plattner, J., Shapiro, L., Martinis, S.A., Benkovic, S.J., Cusack, S., Alley, M.R.K.
登録日2007-05-14
公開日2007-07-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献An Antifungal Agent Inhibits an Aminoacyl-tRNA Synthetase by Trapping tRNA in the Editing Site.
Science, 316, 2007
2WFD
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STRUCTURE OF THE HUMAN CYTOSOLIC LEUCYL-TRNA SYNTHETASE EDITING DOMAIN
分子名称:LEUCYL-TRNA SYNTHETASE, CYTOPLASMIC
著者Seiradake, E., Mao, W., Hernandez, V., Baker, S.J., Plattner, J.J., Alley, M.R.K., Cusack, S.
登録日2009-04-03
公開日2009-05-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Crystal Structures of the Human and Fungal Cytosolic Leucyl-tRNA Synthetase Editing Domains: A Structural Basis for the Rational Design of Antifungal Benzoxaboroles.
J.Mol.Biol., 390, 2009
2WFE
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STRUCTURE OF THE CANDIDA ALBICANS CYTOSOLIC LEUCYL-TRNA SYNTHETASE EDITING DOMAIN
分子名称:CYTOSOLIC LEUCYL-TRNA SYNTHETASE
著者Seiradake, E., Mao, W., Hernandez, V., Baker, S.J., Plattner, J.J., Alley, M.R.K., Cusack, S.
登録日2009-04-04
公開日2009-05-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structures of the Human and Fungal Cytosolic Leucyl-tRNA Synthetase Editing Domains: A Structural Basis for the Rational Design of Antifungal Benzoxaboroles.
J.Mol.Biol., 390, 2009
2WFG
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STRUCTURE OF THE CANDIDA ALBICANS CYTOSOLIC LEUCYL-TRNA SYNTHETASE EDITING DOMAIN BOUND TO A BENZOXABOROLE-AMP ADDUCT
分子名称:CYTOSOLIC LEUCYL-TRNA SYNTHETASE, [(1S,3S,5R,6R,8R)-6-(6-AMINOPURIN-9-YL)-4'-ETHYLAMINO-3'-FLUORO-SPIRO[2,4,7-TRIOXA-3-BORANUIDABICYCLO[3.3.0]OCTANE-3,7'-8-OXA-7-BORANUIDABICYCLO[4.3.0]NONA-1,3,5-TRIENE]-8-YL]METHYL DIHYDROGEN PHOSPHATE
著者Seiradake, E., Mao, W., Hernandez, V., Baker, S.J., Plattner, J.J., Alley, M.R.K., Cusack, S.
登録日2009-04-05
公開日2009-05-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of the Human and Fungal Cytosolic Leucyl-tRNA Synthetase Editing Domains: A Structural Basis for the Rational Design of Antifungal Benzoxaboroles.
J.Mol.Biol., 390, 2009
3F2A
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CRYSTAL STRUCTURE OF HUMAN PIM-1 IN COMPLEX WITH DAPPA
分子名称:Proto-oncogene serine/threonine-protein kinase Pim-1, (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid, MAGNESIUM ION
著者Qian, K.
登録日2008-10-29
公開日2009-03-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Hit to lead account of the discovery of a new class of inhibitors of Pim kinases and crystallographic studies revealing an unusual kinase binding mode.
J.Med.Chem., 52, 2009
3ZJT
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TERNARY COMPLEX OF E.COLI LEUCYL-TRNA SYNTHETASE, TRNA(LEU)574 AND THE BENZOXABOROLE AN3017 IN THE EDITING CONFORMATION
分子名称:LEUCYL-TRNA SYNTHETASE, TRNALEU5 UAA ISOACCEPTOR, MAGNESIUM ION
著者Cusack, S., Palencia, A., Crepin, T., Hernandez, V., Akama, T., Baker, S.J., Bu, W., Feng, L., Freund, Y.R., Liu, L., Meewan, M., Mohan, M., Mao, W., Rock, F.L., Sexton, H., Sheoran, A., Zhang, Y., Zhang, Y., Zhou, Y., Nieman, J.A., Anugula, M.R., Keramane, E.M., Savariraj, K., Reddy, D.S., Sharma, R., Subedi, R., Singh, R., OLeary, A., Simon, N.L., DeMarsh, P.L., Mushtaq, S., Warner, M., Livermore, D.M., Alley, M.R.K., Plattner, J.J.
登録日2013-01-18
公開日2013-04-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
3ZJU
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TERNARY COMPLEX OF E .COLI LEUCYL-TRNA SYNTHETASE, TRNA(LEU) AND THE BENZOXABOROLE AN3016 IN THE EDITING CONFORMATION
分子名称:LEUCYL-TRNA SYNTHETASE, TRNALEU5 UAA ISOACCEPTOR, MAGNESIUM ION
著者Cusack, S., Palencia, A., Crepin, T., Hernandez, V., Akama, T., Baker, S.J., Bu, W., Feng, L., Freund, Y.R., Liu, L., Meewan, M., Mohan, M., Mao, W., Rock, F.L., Sexton, H., Sheoran, A., Zhang, Y., Zhang, Y., Zhou, Y., Nieman, J.A., Anugula, M.R., Keramane, E.M., Savariraj, K., Reddy, D.S., Sharma, R., Subedi, R., Singh, R., OLeary, A., Simon, N.L., DeMarsh, P.L., Mushtaq, S., Warner, M., Livermore, D.M., Alley, M.R.K., Plattner, J.J.
登録日2013-01-18
公開日2013-04-17
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
3ZJV
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TERNARY COMPLEX OF E .COLI LEUCYL-TRNA SYNTHETASE, TRNA(LEU) AND THE BENZOXABOROLE AN3213 IN THE EDITING CONFORMATION
分子名称:LEUCINE--TRNA LIGASE, TRNALEU5 UAA ISOACCEPTOR
著者Cusack, S., Palencia, A., Crepin, T., Hernandez, V., Akama, T., Baker, S.J., Bu, W., Feng, L., Freund, Y.R., Liu, L., Meewan, M., Mohan, M., Mao, W., Rock, F.L., Sexton, H., Sheoran, A., Zhang, Y., Zhang, Y., Zhou, Y., Nieman, J.A., Anugula, M.R., Keramane, E.M., Savariraj, K., Reddy, D.S., Sharma, R., Subedi, R., Singh, R., OLeary, A., Simon, N.L., DeMarsh, P.L., Mushtaq, S., Warner, M., Livermore, D.M., Alley, M.R.K., Plattner, J.J.
登録日2013-01-18
公開日2013-04-17
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
5K4L
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CRYSTAL STRUCTURE OF KDM5A IN COMPLEX WITH A NAPHTHYRIDONE INHIBITOR
分子名称:Lysine-specific demethylase 5A, Unknown Peptide, NICKEL (II) ION, ...
著者Kiefer, J.R., Vinogradova, M.V.
登録日2016-05-20
公開日2016-08-10
最終更新日2016-09-07
実験手法X-RAY DIFFRACTION (3.179 Å)
主引用文献Design and evaluation of 1,7-naphthyridones as novel KDM5 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5KR7
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KDM4C BOUND TO PYRAZOLO-PYRIMIDINE SCAFFOLD
分子名称:Lysine-specific demethylase 4C, FE (II) ION, ZINC ION, ...
著者Bellon, S.F., Poy, F., Setser, J.W.
登録日2016-07-07
公開日2016-08-17
最終更新日2016-08-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of potent, selective KDM5 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5V9P
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CRYSTAL STRUCTURE OF PYRROLIDINE AMIDE INHIBITOR [(3S)-3-(4-BROMO-1H-PYRAZOL-1-YL)PYRROLIDIN-1-YL][3-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]METHANONE (COMPOUND 35) IN COMPLEX WITH KDM5A
分子名称:Lysine-specific demethylase 5A, NICKEL (II) ION, ZINC ION, ...
著者Kiefer, J.R., Liang, J., Vinogradova, M.
登録日2017-03-23
公開日2017-05-10
最終更新日2017-06-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5V9T
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CRYSTAL STRUCTURE OF SELECTIVE PYRROLIDINE AMIDE KDM5A INHIBITOR N-{(3R)-1-[3-(PROPAN-2-YL)-1H-PYRAZOLE-5-CARBONYL]PYRROLIDIN-3-YL}CYCLOPROPANECARBOXAMIDE (COMPOUND 48)
分子名称:Lysine-specific demethylase 5A, NICKEL (II) ION, ZINC ION, ...
著者Kiefer, J.R., Liang, J., Vinogradova, M.
登録日2017-03-23
公開日2017-05-10
最終更新日2017-06-14
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5VRL
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CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333.
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], (~{N}~{E})-~{N}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$l^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine
著者Abendroth, J., Edwards, T.E., Lorimer, D.
登録日2017-05-11
公開日2018-05-16
最終更新日2018-12-05
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA.
Life Sci Alliance, 1, 2018
5VRM
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CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333.
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Abendroth, J., Edwards, T.E., Lorimer, D.
登録日2017-05-11
公開日2018-05-16
最終更新日2018-12-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA.
Life Sci Alliance, 1, 2018
5VRN
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CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333.
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{E})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Abendroth, J., Edwards, T.E., Lorimer, D.
登録日2017-05-11
公開日2018-05-16
最終更新日2018-12-05
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA.
Life Sci Alliance, 1, 2018