4H7B
 
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4K8J
 | | 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 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Hydrophobic core mutants of Staphylococcal nuclease
To be Published
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4K8I
 | | 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 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Hydrophobic core mutants of Staphylococcal nuclease
To be Published
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6VLM
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4HHE
 | | Quinolinate synthase from Pyrococcus furiosus | | 分子名称: | CHLORIDE ION, Quinolinate synthase A | | 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 | 2024-02-28 | | 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
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4XUC
 | | 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: | 1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, ... | | 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 | 2024-02-28 | | 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
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4XUD
 | | 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: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, 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 | 2023-09-27 | | 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
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4XUE
 | | Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd27b | | 分子名称: | 2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one, Catechol O-methyltransferase, 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 | 2024-02-28 | | 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
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6NM4
 | | Crystal structure of SAM-bound PRDM9 in complex with MRK-740 inhibitor | | 分子名称: | 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane, Histone-lysine N-methyltransferase PRDM9, 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 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Discovery of a chemical probe for PRDM9.
Nat Commun, 10, 2019
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5U6I
 | | Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | | 分子名称: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, 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 | 2023-10-04 | | 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
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1T1R
 | | 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 | 2024-03-13 | | 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
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1T1S
 | | Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate | | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MAGNESIUM ION, SULFATE 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 | 2024-03-13 | | 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
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1TGY
 | | Structure of E. coli Uridine Phosphorylase complexed with uracil and ribose 1-phosphate | | 分子名称: | 1-O-phosphono-alpha-D-ribofuranose, POTASSIUM ION, URACIL, ... | | 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 | 2024-02-14 | | 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
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1TGV
 | | Structure of E. coli Uridine Phosphorylase complexed with 5-Fluorouridine and sulfate | | 分子名称: | 5-FLUOROURIDINE, POTASSIUM ION, SULFATE 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 | 2024-02-14 | | 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
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2YKD
 | | Structure of the matrix protein from human respiratory syncytial virus | | 分子名称: | ACETATE ION, MATRIX PROTEIN | | 著者 | McPhee, H.K, Carlisle, J.L, Beeby, A, Money, V.A, Watson, S.M.D, Yeo, R.P, Sanderson, J.M. | | 登録日 | 2011-05-26 | | 公開日 | 2011-06-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Influence of Lipids on the Interfacial Disposition of Respiratory Syncytical Virus Matrix Protein.
Langmuir, 27, 2011
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2VQP
 | | Structure of the matrix protein from human Respiratory Syncytial Virus | | 分子名称: | ACETATE ION, FORMIC ACID, GLYCEROL, ... | | 著者 | Money, V.A, McPhee, H.K, Sanderson, J.M, Yeo, R.P. | | 登録日 | 2008-03-18 | | 公開日 | 2009-02-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Surface Features of a Mononegavirales Matrix Protein Indicate Sites of Membrane Interaction.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3KVV
 | | Trapping of an oxocarbenium ion intermediate in UP crystals | | 分子名称: | 1,4-anhydro-D-erythro-pent-1-enitol, 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 | 2024-02-21 | | 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
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3KVR
 | | Trapping of an oxocarbenium ion intermediate in UP crystals | | 分子名称: | 2,5-anhydro-4-deoxy-D-erythro-pent-4-enitol, 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 | 2024-02-21 | | 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
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3KUK
 | | Trapping of an oxocarbenium ion intermediate in UP crystals | | 分子名称: | 2'-DEOXYURIDINE, SULFATE ION, Uridine phosphorylase | | 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 | 2024-02-21 | | 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
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3KVY
 | | Trapping of an oxocarbenium ion intermediate in UP crystals | | 分子名称: | 1,4-anhydro-D-erythro-pent-1-enitol, 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 | 2024-02-21 | | 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
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3KU4
 | | Trapping of an oxocarbenium ion intermediate in UP crystals | | 分子名称: | SULFATE ION, Uridine phosphorylase | | 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 | 2024-02-21 | | 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
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6VLV
 | | Factor XIa in complex with compound 11 | | 分子名称: | 1-carbamimidamido-4-chloro-N-[(2R)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide, CITRATE ANION, Coagulation factor XIa light chain | | 著者 | Lesburg, C.A. | | 登録日 | 2020-01-27 | | 公開日 | 2020-05-06 | | 最終更新日 | 2020-10-07 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
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6VLU
 | | Factor XIa in complex with compound 7 | | 分子名称: | CITRIC ACID, Coagulation factor XIa light chain, N-cyclohexyl-D-leucyl-N-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-L-prolinamide | | 著者 | Lesburg, C.A, Fradera, X. | | 登録日 | 2020-01-27 | | 公開日 | 2020-05-06 | | 最終更新日 | 2020-10-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
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4ESW
 | | Crystal structure of C. albicans Thi5 H66G mutant | | 分子名称: | CITRIC ACID, Pyrimidine biosynthesis enzyme THI13 | | 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 | 2024-02-28 | | 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
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4ESX
 | | 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 | 2024-04-03 | | 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
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