6AL8
 
 | | Crystal structure HpiC1 Y101F/F138S | | 分子名称: | 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | | 登録日 | 2017-08-07 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.641 Å) | | 主引用文献 | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
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7S3J
 | | Crystal Structure of AspB P450 in complex with brevianamide F substrates | | 分子名称: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, AspB, GLYCEROL, ... | | 著者 | Newmister, S.A, Shende, V.V, Harris, N.R, Sanders, J.N, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H. | | 登録日 | 2021-09-07 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases.
Angew.Chem.Int.Ed.Engl., 62, 2023
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6BYB
 | | Crystal structure of L3MBTL1 MBT Domain with MBK14970 | | 分子名称: | (S)-N-(cyclopropylmethyl)-N~2~-methyl-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide, 1,2-ETHANEDIOL, Lethal(3)malignant brain tumor-like protein 1, ... | | 著者 | DONG, A, DOBROVETSKY, E, NICHOLSON, B, COX, C, FISCHER, C, ARMACOST, K, SANDERS, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2017-12-20 | | 公開日 | 2018-01-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Crystal structure of L3MBTL1 MBT Domain with MBK14970
to be published
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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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7S3T
 | | NzeB Diketopiperazine Dimerase Mutant: Q68I-G87A-A89G-I90V | | 分子名称: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | 著者 | Harris, N.R, Shende, V.V, Sanders, J.N, Newmister, S.A, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H. | | 登録日 | 2021-09-08 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases.
Angew.Chem.Int.Ed.Engl., 2023
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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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6VLM
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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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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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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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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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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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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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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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