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PDB: 15 件
3UEO
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BU of 3ueo by Molmil
Crystal structure of TopBP1 BRCT4/5 domains in complex with a phospho-peptide
分子名称: DNA topoisomerase 2-binding protein 1, phospho-peptide
著者Leung, C.C, Glover, J.N.M.
登録日2011-10-31
公開日2013-07-03
最終更新日2014-03-26
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insights into recognition of MDC1 by TopBP1 in DNA replication checkpoint control.
Structure, 21, 2013
3UEN
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BU of 3uen by Molmil
Crystal structure of TopBP1 BRCT4/5 domains
分子名称: DNA topoisomerase 2-binding protein 1, GLYCEROL, THIOCYANATE ION
著者Leung, C.C, Glover, J.N.M.
登録日2011-10-31
公開日2013-07-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into recognition of MDC1 by TopBP1 in DNA replication checkpoint control.
Structure, 21, 2013
3AL3
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BU of 3al3 by Molmil
Crystal Structure of TopBP1 BRCT7/8-BACH1 peptide complex
分子名称: DNA topoisomerase 2-binding protein 1, FORMIC ACID, Peptide of Fanconi anemia group J protein
著者Leung, C.C, Glover, J.N.
登録日2010-07-22
公開日2010-12-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Molecular basis of BACH1/FANCJ recognition by TopBP1 in DNA replication checkpoint control
J.Biol.Chem., 286, 2011
3AL2
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BU of 3al2 by Molmil
Crystal Structure of TopBP1 BRCT7/8
分子名称: DNA topoisomerase 2-binding protein 1, SULFATE ION
著者Leung, C.C, Glover, J.N.
登録日2010-07-22
公開日2010-12-01
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis of BACH1/FANCJ recognition by TopBP1 in DNA replication checkpoint control
J.Biol.Chem., 286, 2011
3JVE
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BU of 3jve by Molmil
Crystal Structure of the Sixth BRCT Domain of TopBP1
分子名称: DNA topoisomerase 2-binding protein 1
著者Leung, C.C, Kellogg, E, Baker, D, Glover, J.N.M.
登録日2009-09-16
公開日2010-01-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Insights from the crystal structure of the sixth BRCT domain of topoisomerase IIbeta binding protein 1.
Protein Sci., 19, 2010
5JUZ
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BU of 5juz by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor CL-06-057
分子名称: CHLORIDE ION, Farnesyl pyrophosphate synthase, [(R)-(2,3-dihydro-1-benzofuran-5-yl){[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl]phosphonic acid
著者Park, J, Magder, A, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2016-05-10
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
5JV0
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BU of 5jv0 by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-038
分子名称: Farnesyl pyrophosphate synthase, SULFATE ION, [(1R)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid
著者Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2016-05-10
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
5JV1
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BU of 5jv1 by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-066
分子名称: Farnesyl pyrophosphate synthase, SULFATE ION, [(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid
著者Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2016-05-10
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
5BNF
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BU of 5bnf by Molmil
Apo structure of porcine CD38
分子名称: Uncharacterized protein
著者Ting, K.Y, Leung, C.P.F, Graeff, R.M, Lee, H.C, Hao, Q, Kotaka, M.
登録日2015-05-26
公開日2016-05-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Porcine CD38 exhibits prominent secondary NAD(+) cyclase activity.
Protein Sci., 25, 2016
5BNI
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BU of 5bni by Molmil
Porcine CD38 complexed with complexed with a covalent intermediate, ribo-F-ribose-5'-phosphate
分子名称: Uncharacterized protein, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4S)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
著者Ting, K.Y, Leung, C.F.P, Graeff, R.M, Lee, H.C, Hao, Q, Kotaka, M.
登録日2015-05-26
公開日2016-05-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Porcine CD38 exhibits prominent secondary NAD(+) cyclase activity.
Protein Sci., 25, 2016
4L2X
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BU of 4l2x by Molmil
Crystal structure of human FPPS in complex with magnesium, CL02134, and inorganic pyrophosphate
分子名称: ({[6-(4-cyclopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Park, J, Leung, C.-Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2013-06-04
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Thienopyrimidine Bisphosphonate (ThPBP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase: Optimization and Characterization of the Mode of Inhibition.
J.Med.Chem., 56, 2013
4ZAR
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BU of 4zar by Molmil
Crystal Structure of Proteinase K from Engyodontium albuminhibited by METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE at 1.15 A resolution
分子名称: CALCIUM ION, METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE, bound form, ...
著者Sawaya, M.R, Cascio, D, Collazo, M, Bond, C, Cohen, A, DeNicola, A, Eden, K, Jain, K, Leung, C, Lubock, N, McCormick, J, Rosinski, J, Spiegelman, L, Athar, Y, Tibrewal, N, Winter, J, Solomon, S.
登録日2015-04-14
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystal Structure of Proteinase K from Engyodontium album inhibited by METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE at 1.15 A resolution
to be published
4LPH
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BU of 4lph by Molmil
Crystal structure of human FPPS in complex with CL03093
分子名称: ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid, Farnesyl pyrophosphate synthase, PHOSPHATE ION
著者Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2013-07-16
公開日2014-06-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
J.Med.Chem., 57, 2014
4LPG
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BU of 4lpg by Molmil
Crystal structure of human FPPS in complex with CL01131
分子名称: ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, PHOSPHATE ION
著者Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2013-07-16
公開日2014-06-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
J.Med.Chem., 57, 2014
4JVJ
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BU of 4jvj by Molmil
Crystal structure of human FPPS in complex with magnesium, CL01131, and sulfate
分子名称: ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Park, J, Leung, C.-Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2013-03-25
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Thienopyrimidine Bisphosphonate (ThPBP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase: Optimization and Characterization of the Mode of Inhibition.
J.Med.Chem., 56, 2013

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