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PDB: 160 件
3UTD
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Ec_IspH in complex with 4-oxopentyl diphosphate
分子名称: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxopentyl trihydrogen diphosphate, FE3-S4 CLUSTER
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
登録日2011-11-25
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3LGZ
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Crystal structure of dehydrosqualene synthase Y129A from S. aureus complexed with presqualene pyrophosphate
分子名称: Dehydrosqualene synthase, MAGNESIUM ION, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate
著者Lin, F.-Y, Liu, Y.-L, Liu, C.-I, Wang, A.H.J, Oldfield, E.
登録日2010-01-21
公開日2010-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
4F6V
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Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1034, mg2+ and fmp.
分子名称: (2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate, 2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid, Dehydrosqualene synthase, ...
著者Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E.
登録日2012-05-15
公開日2012-06-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
4F6X
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Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1112
分子名称: 1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid, D(-)-TARTARIC ACID, Dehydrosqualene synthase, ...
著者Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E.
登録日2012-05-15
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
4MUX
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IspH in complex with pyridin-3-ylmethyl diphosphate
分子名称: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, pyridin-3-ylmethyl trihydrogen diphosphate
著者Span, I, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M.
登録日2013-09-23
公開日2014-06-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
J.Am.Chem.Soc., 136, 2014
4N1Z
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Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1222
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ...
著者Liu, Y.L, Xia, Y, Zhang, Y, Verma, I, Oldfield, E.
登録日2013-10-04
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A combination therapy for KRAS-driven lung adenocarcinomas using lipophilic bisphosphonates and rapamycin.
Sci Transl Med, 6, 2014
2I19
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T. Brucei farnesyl diphosphate synthase complexed with bisphosphonate
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)
著者Cao, R, Mao, J, Gao, Y, Robinson, H, Odeh, S, Goddard, A, Oldfield, E.
登録日2006-08-13
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Solid-state NMR, crystallographic, and computational investigation of bisphosphonates and farnesyl diphosphate synthase-bisphosphonate complexes.
J.Am.Chem.Soc., 128, 2006
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
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, 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
2LGI
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Atomic Resolution Protein Structures using NMR Chemical Shift Tensors
分子名称: Immunoglobulin G-binding protein G
著者Wylie, B.J, Sperling, L.J, Nieuwkoop, A.J, Franks, W.T, Oldfield, E, Rienstra, C.M.
登録日2011-07-26
公開日2011-10-26
最終更新日2024-05-01
実験手法SOLID-STATE NMR
主引用文献Ultrahigh resolution protein structures using NMR chemical shift tensors.
Proc.Natl.Acad.Sci.USA, 108, 2011
3LEE
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BU of 3lee by Molmil
Crystal structure of the human squalene synthase complexed with BPH-652
分子名称: (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid, MAGNESIUM ION, Squalene synthetase
著者Liu, Y.-L, Lin, F.-Y, Oldfield, E.
登録日2010-01-14
公開日2010-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Mechanism of Action (and Inhibition) of Head-to-Head Terpene Synthases: A Structural Investigation
To be Published
4S3E
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IspG in complex with Inhibitor 7 (compound 1061)
分子名称: 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, IRON/SULFUR CLUSTER, ...
著者Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
登録日2015-01-26
公開日2015-04-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S38
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IspG in complex MEcPP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ...
著者Quitterer, F, Frank, A, Wang, K, Guodong, R, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
登録日2015-01-26
公開日2015-04-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S3A
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IspG in complex with Intermediate I
分子名称: (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ...
著者Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
登録日2015-01-26
公開日2015-05-06
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
2OGD
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T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-527
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ...
著者Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E.
登録日2007-01-05
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bisphosphonates: Teaching Old Drugs with New Tricks
TO BE PUBLISHED
2P1C
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T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-210
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, Farnesyl pyrophosphate synthase, ...
著者Cao, R, Gao, Y, Oldfield, E.
登録日2007-03-04
公開日2008-03-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structures of a potent phenylalkyl bisphosphonate inhibitor bound to farnesyl and geranylgeranyl diphosphate synthases.
Proteins, 73, 2008
2OPN
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Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-527
分子名称: Farnesyl pyrophosphate synthetase (FPP synthetase) (FPS) (Farnesyl diphosphate synthetase) [Includes: Dimethylallyltranstransferase (EC 2.5.1.1); Geranyltranstransferase (EC 2.5.1.10)], MAGNESIUM ION, PHOSPHATE ION, ...
著者Cao, R, Gao, Y.G, Robinson, H, Goddard, A, Oldfield, E.
登録日2007-01-29
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Bisphosphonates: Teaching Old Drugs with New Tricks
To be Published
3NPR
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Crystal structure of the C(30) carotenoid dehydrosqualene synthase from S. aureus complexed with Presqualene diphosphate (PSPP)
分子名称: Dehydrosqualene synthase, MAGNESIUM ION, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate
著者Lin, F.-Y, Liu, C.-I, Liu, Y.-L, Wang, K, Zhang, Y, Oldfield, E.
登録日2010-06-28
公開日2010-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
4S3B
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IspG in complex with Intermediate II
分子名称: (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ...
著者Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
登録日2015-01-26
公開日2015-04-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S3D
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IspG in complex with PPi
分子名称: 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, DIPHOSPHATE, FE3-S4 CLUSTER
著者Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
登録日2015-01-26
公開日2015-04-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S3F
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IspG in complex with Inhibitor 8 (compound 1077)
分子名称: 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, FE3-S4 CLUSTER, but-3-yn-1-yl trihydrogen diphosphate
著者Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
登録日2015-01-26
公開日2015-04-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4U8C
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Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1409
分子名称: 2,2'-benzene-1,4-diylbis[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indole], DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Zhu, W, Oldfield, E.
登録日2014-08-01
公開日2015-02-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
4U8B
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Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1358
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide
著者Zhu, W, Oldfield, E.
登録日2014-08-01
公開日2015-02-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
4U8A
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Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1503
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, N,N'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide
著者Zhu, W, Oldfield, E.
登録日2014-08-01
公開日2015-02-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
4U82
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Structure of S. aureus undecaprenyl diphosphate synthase in complex with FSPP and sulfate
分子名称: Isoprenyl transferase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ...
著者Zhu, W, Oldfield, E.
登録日2014-07-31
公開日2015-02-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015

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