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4H7B
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CRYSTAL STRUCTURE OF STAPHYLOCOCCAL NUCLEASE MUTANT I72V/V99L
分子名称:Thermonuclease
著者Sanders, J.M., Janowska, K., Sakon, J., Stites, W.E.
登録日2012-09-20
公開日2012-10-17
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Hydrophobic core mutants of Staphylococcal nuclease
To be Published
4K8I
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CRYSTAL STRUCTURE OF STAPHYLOCOCCAL NUCLEASE MUTANT I92V/V99L
分子名称:Thermonuclease
著者Sanders, J.M., Latimer, E.C., Roeser, J.R., Janowska, K., Sakon, J., Stites, W.E.
登録日2013-04-18
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Hydrophobic core mutants of Staphylococcal nuclease
To be Published
4K8J
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CRYSTAL STRUCTURE OF STAPHYLOCOCCAL NUCLEASE MUTANT V23L/V66I
分子名称:Thermonuclease
著者Sanders, J.M., Gill, E., Roeser, J.R., Janowska, K., Sakon, J., Stites, W.E.
登録日2013-04-18
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Hydrophobic core mutants of Staphylococcal nuclease
To be Published
1T1R
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CRYSTAL STRUCTURE OF THE REDUCTOISOMERASE COMPLEXED WITH A BISPHOSPHONATE
分子名称:1-deoxy-D-xylulose 5-phosphate reductoisomerase, SULFATE ION, [(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID
著者Yajima, S., Hara, K., Sanders, J.M., Yin, F., Ohsawa, K., Wiesner, J., Jomaa, H., Oldfield, E.
登録日2004-04-17
公開日2004-09-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic Structures of Two Bisphosphonate:1-Deoxyxylulose-5-Phosphate Reductoisomerase Complexes
J.Am.Chem.Soc., 126, 2004
1T1S
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CRYSTAL STRUCTURE OF THE REDUCTOISOMERASE COMPLEXED WITH A BISPHOSPHONATE
分子名称:1-deoxy-D-xylulose 5-phosphate reductoisomerase, SULFATE ION, MAGNESIUM ION, ...
著者Yajima, S., Hara, K., Sanders, J.M., Yin, F., Ohsawa, K., Wiesner, J., Jomaa, H., Oldfield, E.
登録日2004-04-17
公開日2004-09-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystallographic Structures of Two Bisphosphonate:1-Deoxyxylulose-5-Phosphate Reductoisomerase Complexes
J.Am.Chem.Soc., 126, 2004
1TGV
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STRUCTURE OF E. COLI URIDINE PHOSPHORYLASE COMPLEXED WITH 5-FLUOROURIDINE AND SULFATE
分子名称:uridine phosphorylase, SULFATE ION, POTASSIUM ION, ...
著者Bu, W., Settembre, E.C., Sanders, J.M., Begley, T.P., Ealick, S.E.
登録日2004-05-31
公開日2005-06-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of E. coli Uridine Phosphorylase
To be Published, 2004
1TGY
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STRUCTURE OF E. COLI URIDINE PHOSPHORYLASE COMPLEXED WITH URACIL AND RIBOSE 1-PHOSPHATE
分子名称:uridine phosphorylase, RIBOSE-1-PHOSPHATE, POTASSIUM ION, ...
著者Bu, W., Settembre, E.C., Sanders, J.M., Begley, T.P., Ealick, S.E.
登録日2004-05-31
公開日2005-06-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of E. coli Uridine Phosphorylase
To be Published, 2004
4HHE
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QUINOLINATE SYNTHASE FROM PYROCOCCUS FURIOSUS
分子名称:Quinolinate synthase A, CHLORIDE ION
著者Soriano, E.V., Zhang, Y., Settembre, E.C., Colabroy, K., Sanders, J.M., Dorrestein, P.C., Begley, T.P., Ealick, S.E.
登録日2012-10-09
公開日2013-08-28
最終更新日2013-09-18
実験手法X-RAY DIFFRACTION (2.797 Å)
主引用文献Active-site models for complexes of quinolinate synthase with substrates and intermediates.
Acta Crystallogr.,Sect.D, 69, 2013
4XUC
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SYNTHESIS AND EVALUATION OF HETEROCYCLIC CATECHOL MIMICS AS INHIBITORS OF CATECHOL-O-METHYLTRANSFERASE (COMT): STRUCTURE WITH CMPD18 (1-(BIPHENYL-3-YL)-3-HYDROXYPYRIDIN-4(1H)-ONE)
分子名称:Catechol O-methyltransferase, 1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one, MAGNESIUM ION, ...
著者Allison, T., Wolkenberg, S., Sanders, J.M., Soisson, S.M.
登録日2015-01-25
公開日2015-04-15
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
4XUD
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SYNTHESIS AND EVALUATION OF HETEROCYCLIC CATECHOL MIMICS AS INHIBITORS OF CATECHOL-O-METHYLTRANSFERASE (COMT): STRUCTURE WITH CMPD32 ([1-(BIPHENYL-3-YL)-5-HYDROXY-4-OXO-1,4-DIHYDROPYRIDIN-3-YL]BORONIC ACID)
分子名称:Catechol O-methyltransferase, [1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid, MAGNESIUM ION, ...
著者Allison, T., Wolkenberg, S., Sanders, J.M., Soisson, S.M.
登録日2015-01-25
公開日2015-04-15
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
4XUE
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SYNTHESIS AND EVALUATION OF HETEROCYCLIC CATECHOL MIMICS AS INHIBITORS OF CATECHOL-O-METHYLTRANSFERASE (COMT): STRUCTURE WITH CMPD27B
分子名称:Catechol O-methyltransferase, 2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one, MAGNESIUM ION, ...
著者Allison, T., Wolkenberg, S., Sanders, J.M., Soisson, S.M.
登録日2015-01-25
公開日2015-04-15
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
5U6I
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DISCOVERY OF MLI-2, AN ORALLY AVAILABLE AND SELECTIVE LRRK2 INHIBITOR THAT REDUCES BRAIN KINASE ACTIVITY
分子名称:Mitogen-activated protein kinase 1, 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, SULFATE ION
著者Scott, J.D., DeMong, D.E., Fell, M.J., Mirescu, C., Basu, K., Greshock, T.J., Morrow, J.A., Xiao, L., Hruza, A., Harris, J., Tiscia, H.E., Chang, R.K., Embrey, M.W., McCauley, J.A., Li, W., Lin, S., Liu, H., Dai, X., Baptista, M., Agnihotri, G., Columbus, J., Mei, H., Poirier, M., Zhou, X., Lin, Y., Yin, Z., Sanders, J.M., Drolet, R.E., Kern, J.T., Kennedy, M.E., Parker, E.M., Stamford, A.W., Nargund, R., Miller, M.W.
登録日2016-12-08
公開日2017-03-15
最終更新日2017-04-26
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.
J. Med. Chem., 60, 2017
6NM4
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CRYSTAL STRUCTURE OF SAM-BOUND PRDM9 IN COMPLEX WITH MRK-740 INHIBITOR
分子名称:Histone-lysine N-methyltransferase PRDM9, ZINC ION, S-ADENOSYLMETHIONINE, ...
著者Ivanochko, D., Halabelian, L., Fischer, C., Sanders, J.M., Kattar, S.D., Brown, P.J., Edwards, A.M., Bountra, C., Arrowsmith, C.H., Structural Genomics Consortium (SGC)
登録日2019-01-10
公開日2019-02-13
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Crystal structure of SAM-bound PRDM9 in complex with MRK-740 inhibitor
To Be Published
3KU4
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TRAPPING OF AN OXOCARBENIUM ION INTERMEDIATE IN UP CRYSTALS
分子名称:Uridine phosphorylase, SULFATE ION
著者Paul, D., O'Leary, S., Rajashankar, K., Bu, W., Toms, A., Settembre, E., Sanders, J., Begley, T.P., Ealick, S.E.
登録日2009-11-26
公開日2010-04-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
3KUK
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TRAPPING OF AN OXOCARBENIUM ION INTERMEDIATE IN UP CRYSTALS
分子名称:Uridine phosphorylase, SULFATE ION, 2'-DEOXYURIDINE
著者Paul, D., O'Leary, S., Rajashankar, K., Bu, W., Toms, A., Settembre, E., Sanders, J., Begley, T.P., Ealick, S.E.
登録日2009-11-27
公開日2010-04-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.783 Å)
主引用文献Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
3KVR
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TRAPPING OF AN OXOCARBENIUM ION INTERMEDIATE IN UP CRYSTALS
分子名称:Uridine phosphorylase, 5-FLUOROURACIL, SULFATE ION, ...
著者Paul, D., O'Leary, S., Rajashankar, K., Bu, W., Toms, A., Settembre, E., Sanders, J., Begley, T.P., Ealick, S.E.
登録日2009-11-30
公開日2010-04-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
3KVV
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TRAPPING OF AN OXOCARBENIUM ION INTERMEDIATE IN UP CRYSTALS
分子名称:Uridine phosphorylase, 5-FLUOROURACIL, SULFATE ION, ...
著者Paul, D., O'Leary, S., Rajashankar, K., Bu, W., Toms, A., Settembre, E., Sanders, J., Begley, T.P., Ealick, S.E.
登録日2009-11-30
公開日2010-04-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
3KVY
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TRAPPING OF AN OXOCARBENIUM ION INTERMEDIATE IN UP CRYSTALS
分子名称:Uridine Phosphorylase, SULFATE ION, URACIL, ...
著者Paul, D., O'Leary, S., Rajashankar, K., Bu, W., Toms, A., Settembre, E., Sanders, J., Begley, T.P., Ealick, S.E.
登録日2009-11-30
公開日2010-04-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
4ESW
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CRYSTAL STRUCTURE OF C. ALBICANS THI5 H66G MUTANT
分子名称:Pyrimidine biosynthesis enzyme THI13, CITRIC ACID
著者Fenwick, M.K., Huang, S., Zhang, Y., Lai, R., Hazra, A., Rajashankar, K., Philmus, B., Kinsland, C., Sanders, J., Begley, T.P., Ealick, S.E.
登録日2012-04-23
公開日2012-09-19
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Thiamin pyrimidine biosynthesis in Candida albicans : a remarkable reaction between histidine and pyridoxal phosphate.
J.Am.Chem.Soc., 134, 2012
4ESX
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CRYSTAL STRUCTURE OF C. ALBICANS THI5 COMPLEXED WITH PLP
分子名称:Pyrimidine biosynthesis enzyme THI13
著者Huang, S., Fenwick, M.K., Zhang, Y., Lai, R., Hazra, A., Rajashankar, K., Philmus, B., Kinsland, C., Sanders, J., Begley, T.P., Ealick, S.E.
登録日2012-04-23
公開日2012-09-19
最終更新日2017-05-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Thiamin pyrimidine biosynthesis in Candida albicans : a remarkable reaction between histidine and pyridoxal phosphate.
J.Am.Chem.Soc., 134, 2012
5KMI
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TRKA JM-KINASE WITH 1-(9{H}-FLUOREN-9-YL)-3-(2-METHYL-4-PHENYL-PYRIMIDIN-5-YL)UREA
分子名称:High affinity nerve growth factor receptor, 1-(9~{H}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2017-02-01
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMJ
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TRKA JM-KINASE WITH {N}-(2-PYRIDYLMETHYL)-2-[2-(2-THIENYL)INDOL-1-YL]ACETAMIDE
分子名称:High affinity nerve growth factor receptor, ~{N}-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)ethanamide
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2017-02-01
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMK
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TRKA JM-KINASE WITH 2-FLUORO-{N}-[2-(4-FLUOROPHENYL)-6-METHYL-3-PYRIDYL]-4-(TRIFLUOROMETHYL)BENZAMIDE
分子名称:High affinity nerve growth factor receptor, 2-fluoranyl-~{N}-[2-(4-fluorophenyl)-6-methyl-pyridin-3-yl]-4-(trifluoromethyl)benzamide
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2017-02-01
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KML
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TRKA JM-KINASE WITH 1-(5-METHYL-3-PHENYL-1,2-OXAZOL-4-YL)-3-[[2-(TRIFLUOROMETHYL)PHENYL]METHYL]UREA
分子名称:High affinity nerve growth factor receptor, 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2017-02-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMM
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TRKA JM-KINASE WITH 1-(2-METHYL-4-PHENYL-PYRIMIDIN-5-YL)-3-(1-NAPHTHYL)UREA
分子名称:High affinity nerve growth factor receptor, 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-naphthalen-1-yl-urea
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2017-02-01
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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