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2F7M
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BU of 2f7m by Molmil
Crystal Structure of Unliganded Human FPPS
Descriptor: Farnesyl Diphosphate Synthase, PHOSPHATE ION
Authors: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.
Deposit date:2005-12-01
Release date:2006-02-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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+
Descriptor: Farnesyl Diphosphate Synthase, PHOSPHATE ION, ZINC ION, ...
Authors: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.
Deposit date:2005-12-06
Release date:2006-02-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.06 Å)
Cite: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
Descriptor: Farnesyl Diphosphate Synthase, MAGNESIUM ION, PHOSPHATE ION, ...
Authors: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.
Deposit date:2005-12-02
Release date:2006-02-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs.
Chemmedchem, 1, 2006
2F92
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BU of 2f92 by Molmil
Crystal structure of human FPPS in complex with alendronate
Descriptor: 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, Farnesyl Diphosphate Synthase, PHOSPHATE ION, ...
Authors: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.
Deposit date:2005-12-05
Release date:2006-02-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl Diphosphate Synthase, MAGNESIUM ION, ...
Authors: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.
Deposit date:2005-12-02
Release date:2006-02-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Farnesyl Diphosphate Synthase, MANGANESE (II) ION, PAMIDRONATE, ...
Authors: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.
Deposit date:2005-12-02
Release date:2006-02-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Farnesyl Diphosphate Synthase, IBANDRONATE, PHOSPHATE ION, ...
Authors: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.
Deposit date:2005-12-05
Release date:2006-02-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs.
Chemmedchem, 1, 2006
8PFI
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BU of 8pfi by Molmil
Crystal structure of human TLR8 in complex with compound 34
Descriptor: (3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ...
Authors:Faller, M, Zink, F.
Deposit date:2023-06-16
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.785 Å)
Cite:Discovery of the TLR7/8 Antagonist MHV370 for Treatment of Systemic Autoimmune Diseases.
Acs Med.Chem.Lett., 14, 2023
6ZCI
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BU of 6zci by Molmil
Crystal structure of BRD4-BD1 in complex with NVS-BET-1
Descriptor: (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one, Bromodomain-containing protein 4
Authors:Faller, M.
Deposit date:2020-06-11
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.976 Å)
Cite:BET bromodomain inhibitors regulate keratinocyte plasticity.
Nat.Chem.Biol., 17, 2021
7ZAN
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BU of 7zan by Molmil
Crystal Structure of human IL-17A in complex with IL-17RA and IL-17RC
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, Interleukin-17A, ...
Authors:Rondeau, J.M, Goepfert, A.
Deposit date:2022-03-22
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (5.061 Å)
Cite:IL-17-induced dimerization of IL-17RA drives the formation of the IL-17 signalosome to potentiate signaling.
Cell Rep, 41, 2022
3HI9
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BU of 3hi9 by Molmil
The x-ray crystal structure of the first RNA recognition motif (RRM1) of the AU-rich element (ARE) binding protein HuR at 2.0 angstrom resolution
Descriptor: ELAV-like protein 1
Authors:Benoit, R.M, Kallen, J.
Deposit date:2009-05-19
Release date:2010-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The X-ray Crystal Structure of the First RNA Recognition Motif and Site-Directed Mutagenesis Suggest a Possible HuR Redox Sensing Mechanism.
J.Mol.Biol., 397, 2010
6Y5M
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BU of 6y5m by Molmil
Crystal structure of mouse Autotaxin in complex with compound 1a
Descriptor: (~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Faller, M, Zink, F.
Deposit date:2020-02-25
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Development of autotaxin inhibitors: A series of tetrazole cinnamides.
Bioorg.Med.Chem.Lett., 31, 2021
7R53
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BU of 7r53 by Molmil
Crystal structure of human TLR8 in complex with Compound 15
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine, Toll-like receptor 8, ...
Authors:Faller, M, Zink, F.
Deposit date:2022-02-10
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.121 Å)
Cite:Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist.
Acs Med.Chem.Lett., 13, 2022
7R52
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BU of 7r52 by Molmil
Crystal structure of human TLR8 in complex with Compound 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methoxy-6-pyridin-4-yl-1~{H}-indole, Toll-like receptor 8, ...
Authors:Faller, M, Zink, F.
Deposit date:2022-02-10
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.943 Å)
Cite:Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist.
Acs Med.Chem.Lett., 13, 2022
7R54
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BU of 7r54 by Molmil
Crystal structure of human TLR8 in complex with Compound 4
Descriptor: (5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ...
Authors:Faller, M, Zink, F.
Deposit date:2022-02-10
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.836 Å)
Cite:Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist.
Acs Med.Chem.Lett., 13, 2022
5N9B
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BU of 5n9b by Molmil
Crystal Structure of unliganded human IL-17RA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A
Authors:Rondeau, J.-M, Goepfert, A.
Deposit date:2017-02-24
Release date:2018-06-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:IL-17-induced dimerization of IL-17RA drives the formation of the IL-17 signalosome to potentiate signaling.
Cell Rep, 41, 2022
5DGS
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BU of 5dgs by Molmil
Crystal structure of human FPPS in complex with the monophosphonate compound 15
Descriptor: Farnesyl pyrophosphate synthase, {(E)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-08-28
Release date:2016-07-13
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:A General Strategy for Targeting Drugs to Bone.
Angew.Chem.Int.Ed.Engl., 54, 2015
5DGM
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BU of 5dgm by Molmil
Crystal structure of human FPPS in complex with monophosphonate compound 7
Descriptor: Farnesyl pyrophosphate synthase, PHOSPHATE ION, {2-[(phosphonomethyl)carbamoyl]-1H-benzo[g]indol-1-yl}acetic acid
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-08-28
Release date:2016-07-13
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:A General Strategy for Targeting Drugs to Bone.
Angew.Chem.Int.Ed.Engl., 54, 2015
5DIQ
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BU of 5diq by Molmil
Crystal structure of human FPPS in complex with salicylic acid derivative 3a
Descriptor: 2-(naphthalen-1-ylmethoxy)benzoic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ...
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-01
Release date:2015-09-30
Last modified:2016-07-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
5DJP
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BU of 5djp by Molmil
Crystal structure of human FPPS in complex with biaryl compound 5
Descriptor: 4-(naphthalen-1-yl)-1H-indole-2-carboxylic acid, Farnesyl pyrophosphate synthase, PHOSPHATE ION
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-02
Release date:2015-09-30
Last modified:2015-11-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
5DJV
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BU of 5djv by Molmil
Crystal structure of human FPPS in complex with biaryl compound 8e
Descriptor: 8-(naphthalen-1-yl)-6-(1H-pyrrol-2-yl)quinoline-2-carboxylic acid, Farnesyl pyrophosphate synthase
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-02
Release date:2015-10-07
Last modified:2015-11-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
5DJR
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BU of 5djr by Molmil
Crystal structure of human FPPS in complex with biaryl compound 6
Descriptor: 1H,1'H-4,4'-biindole-2-carboxylic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ...
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-02
Release date:2015-09-30
Last modified:2015-11-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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+
Descriptor: (2S)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, ...
Authors:Rondeau, J.-M.
Deposit date:2010-05-21
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.88 Å)
Cite: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
Descriptor: 3-(carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
Authors:Rondeau, J.-M.
Deposit date:2010-05-25
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N6K
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BU of 3n6k by Molmil
Human FPPS complex with NOV_823
Descriptor: 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
Authors:Rondeau, J.-M.
Deposit date:2010-05-26
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010

 

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