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1S0X
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BU of 1s0x by Molmil
Crystal structure of the human RORalpha ligand binding domain in complex with cholesterol sulfate at 2.2A
分子名称: CHOLEST-5-EN-3-YL HYDROGEN SULFATE, Nuclear receptor ROR-alpha
著者Kallen, J, Schlaeppi, J.M, Bitsch, F, Delhon, I, Fournier, B.
登録日2004-01-05
公開日2004-02-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the human RORalpha Ligand binding domain in complex with cholesterol sulfate at 2.2 A
J.Biol.Chem., 279, 2004
2JED
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BU of 2jed by Molmil
The crystal structure of the kinase domain of the protein kinase C theta in complex with NVP-XAA228 at 2.32A resolution.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(8-DIMETHYLAMINOMETHYL-6,7,8,9-TETRAHYDRO-PYRIDO[1,2-A]INDOL-10-YL)-4-(1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE, PROTEIN KINASE C THETA
著者Stark, W, Bitsch, F, Berner, A, Buelens, F, Graff, P, Depersin, H, Geiser, M, Knecht, R, Rahuel, J, Rummel, G, Schlaeppi, J.M, Schmitz, R, Strauss, A, Wagner, J.
登録日2007-01-16
公開日2008-02-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献The Crystal Structure of the Kinase Domain of the Protein Kinase C Theta in Complex with Nvp-Xaa228
To be Published
1N83
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BU of 1n83 by Molmil
Crystal Structure of the complex between the Orphan Nuclear Hormone Receptor ROR(alpha)-LBD and Cholesterol
分子名称: CHOLESTEROL, Nuclear receptor ROR-alpha
著者Kallen, J.A, Schlaeppi, J.M, Bitsch, F, Geisse, S, Geiser, M, Delhon, I, Fournier, B.
登録日2002-11-19
公開日2002-12-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献X-ray Structure of hROR(alpha) LBD at 1.63A: Structural and Functional data that Cholesterol or a Cholesterol derivative is the natural ligand of ROR(alpha)
Structure, 10, 2002
1XB7
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BU of 1xb7 by Molmil
X-ray structure of ERRalpha LBD in complex with a PGC-1alpha peptide at 2.5A resolution
分子名称: IODIDE ION, Peroxisome proliferator activated receptor gamma coactivator 1 alpha, Steroid hormone receptor ERR1
著者Kallen, J, Schlaeppi, J.M, Bitsch, F, Filipuzzi, I, Schilb, A, Riou, V, Graham, A, Strauss, A, Geiser, M, Fournier, B.
登録日2004-08-30
公開日2004-09-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Evidence for Ligand-independent Transcriptional Activation of the Human Estrogen-related Receptor {alpha} (ERR{alpha}): CRYSTAL STRUCTURE OF ERR{alpha} LIGAND BINDING DOMAIN IN COMPLEX WITH PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR COACTIVATOR-1{alpha}
J.Biol.Chem., 279, 2004
2F7M
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BU of 2f7m by Molmil
Crystal Structure of Unliganded Human FPPS
分子名称: Farnesyl Diphosphate Synthase, PHOSPHATE ION
著者Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W.
登録日2005-12-01
公開日2006-02-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs.
Chemmedchem, 1, 2006
2F8C
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BU of 2f8c by Molmil
Crystal structure of FPPS in complex with Zoledronate
分子名称: Farnesyl Diphosphate Synthase, MAGNESIUM ION, PHOSPHATE ION, ...
著者Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W.
登録日2005-12-02
公開日2006-02-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs.
Chemmedchem, 1, 2006
2F92
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Crystal structure of human FPPS in complex with alendronate
分子名称: 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, Farnesyl Diphosphate Synthase, PHOSPHATE ION, ...
著者Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W.
登録日2005-12-05
公開日2006-02-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs.
Chemmedchem, 1, 2006
2F8Z
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BU of 2f8z by Molmil
Crystal structure of human FPPS in complex with zoledronate and isopentenyl diphosphate
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl Diphosphate Synthase, MAGNESIUM ION, ...
著者Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W.
登録日2005-12-02
公開日2006-02-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs.
Chemmedchem, 1, 2006
2F89
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BU of 2f89 by Molmil
Crystal structure of human FPPS in complex with pamidronate
分子名称: Farnesyl Diphosphate Synthase, MANGANESE (II) ION, PAMIDRONATE, ...
著者Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W.
登録日2005-12-02
公開日2006-02-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs.
Chemmedchem, 1, 2006
2F94
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BU of 2f94 by Molmil
Crystal structure of human FPPS in complex with ibandronate
分子名称: Farnesyl Diphosphate Synthase, IBANDRONATE, PHOSPHATE ION, ...
著者Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W.
登録日2005-12-05
公開日2006-02-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs.
Chemmedchem, 1, 2006
2F9K
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BU of 2f9k by Molmil
Crystal structure of human FPPS in complex with Zoledronate and Zn2+
分子名称: Farnesyl Diphosphate Synthase, PHOSPHATE ION, ZINC ION, ...
著者Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W.
登録日2005-12-06
公開日2006-02-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs.
Chemmedchem, 1, 2006
3N3L
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BU of 3n3l by Molmil
Human FPPS complex with FBS_03
分子名称: (6-methoxy-1-benzofuran-3-yl)acetic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
著者Rondeau, J.-M.
登録日2010-05-20
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
5DGS
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BU of 5dgs by Molmil
Crystal structure of human FPPS in complex with the monophosphonate compound 15
分子名称: Farnesyl pyrophosphate synthase, {(E)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid
著者Rondeau, J.M, Bourgier, E, Lehmann, S.
登録日2015-08-28
公開日2016-07-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献A General Strategy for Targeting Drugs to Bone.
Angew.Chem.Int.Ed.Engl., 54, 2015
5DGN
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BU of 5dgn by Molmil
Crystal structure of human FPPS in complex with compound 13
分子名称: 8-(naphthalen-1-yl)quinoline-2-carboxylic acid, Farnesyl pyrophosphate synthase
著者Rondeau, J.M, Bourgier, E, Lehmann, S.
登録日2015-08-28
公開日2015-09-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
3N45
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BU of 3n45 by Molmil
Human FPPS complex with FBS_04 and zoledronic acid/MG2+
分子名称: (2S)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, ...
著者Rondeau, J.-M.
登録日2010-05-21
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N5H
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BU of 3n5h by Molmil
Human fpps complex with NOV_304
分子名称: 3-(carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
著者Rondeau, J.-M.
登録日2010-05-25
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N6K
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Human FPPS complex with NOV_823
分子名称: 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
著者Rondeau, J.-M.
登録日2010-05-26
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N5J
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Human fpps complex with NOV_311
分子名称: 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
著者Rondeau, J.-M.
登録日2010-05-25
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N46
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Human FPPS complex with NOV_980 and zoledronic acid/MG2+
分子名称: (2R)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, ...
著者Rondeau, J.-M.
登録日2010-05-21
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N1W
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BU of 3n1w by Molmil
Human FPPS COMPLEX WITH FBS_02
分子名称: (5-chloro-1-benzothiophen-3-yl)acetic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
著者Rondeau, J.-M.
登録日2010-05-17
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N1V
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BU of 3n1v by Molmil
Human FPPS COMPLEX WITH FBS_01
分子名称: (5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
著者Rondeau, J.-M.
登録日2010-05-17
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N49
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Human FPPS COMPLEX WITH NOV_292
分子名称: FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION, naphtho[2,1-b]thiophen-1-ylacetic acid
著者Rondeau, J.-M.
登録日2010-05-21
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
5NUD
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FIBROBLAST GROWTH FACTOR RECEPTOR 4 KINASE DOMAIN (449-753) IN COMPLEX WITH IRREVERSIBLE LIGAND CGA159527
分子名称: 3-chloranyl-~{N}-(3-nitropyridin-2-yl)-5-(trifluoromethyl)pyridin-2-amine, Fibroblast growth factor receptor 4
著者Zou, C.
登録日2017-04-29
公開日2018-04-04
最終更新日2018-08-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Approaches to selective fibroblast growth factor receptor 4 inhibition through targeting the ATP-pocket middle-hinge region.
Medchemcomm, 8, 2017
5NWZ
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FIBROBLAST GROWTH FACTOR RECEPTOR 4 KINASE DOMAIN (449-753) IN COMPLEX WITH IRREVERSIBLE LIGAND CGA159527
分子名称: Fibroblast growth factor receptor 4, ~{N}-[3-[2-(3,5-dimethoxyphenyl)ethyl]-1~{H}-pyrazol-5-yl]-2-(propanoylamino)benzamide
著者Zou, C.
登録日2017-05-09
公開日2018-04-04
最終更新日2018-08-29
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Approaches to selective fibroblast growth factor receptor 4 inhibition through targeting the ATP-pocket middle-hinge region.
Medchemcomm, 8, 2017
5DGM
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BU of 5dgm by Molmil
Crystal structure of human FPPS in complex with monophosphonate compound 7
分子名称: Farnesyl pyrophosphate synthase, PHOSPHATE ION, {2-[(phosphonomethyl)carbamoyl]-1H-benzo[g]indol-1-yl}acetic acid
著者Rondeau, J.M, Bourgier, E, Lehmann, S.
登録日2015-08-28
公開日2016-07-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献A General Strategy for Targeting Drugs to Bone.
Angew.Chem.Int.Ed.Engl., 54, 2015

 

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