3N6K
 
 | | 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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3N5J
 | | Human fpps complex with NOV_311 | | Descriptor: | 3-(carboxymethyl)-5,7-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 (2.35 Å) | | Cite: | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
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3N46
 | | Human FPPS complex with NOV_980 and zoledronic acid/MG2+ | | Descriptor: | (2R)-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 (2.35 Å) | | Cite: | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
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3N1W
 | | Human FPPS COMPLEX WITH FBS_02 | | Descriptor: | (5-chloro-1-benzothiophen-3-yl)acetic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION | | Authors: | Rondeau, J.-M. | | Deposit date: | 2010-05-17 | | Release date: | 2010-08-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
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5N9B
 | | 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: | 2024-11-06 | | 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
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5N92
 | | Crystal Structure of Human IL-17AF | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17A, Interleukin-17F | | Authors: | Rondeau, J.-M, Goepfert, A. | | Deposit date: | 2017-02-24 | | Release date: | 2017-09-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The human IL-17A/F heterodimer: a two-faced cytokine with unique receptor recognition properties.
Sci Rep, 7, 2017
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5NHW
 | | CRYSTAL STRUCTURE OF THE BIMAGRUMAB Fab | | Descriptor: | GLYCEROL, anti-human ActRII Bimagrumab Fab heavy-chain, anti-human ActRII Bimagrumab Fab light-chain | | Authors: | Rondeau, J.-M. | | Deposit date: | 2017-03-22 | | Release date: | 2017-11-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Blockade of activin type II receptors with a dual anti-ActRIIA/IIB antibody is critical to promote maximal skeletal muscle hypertrophy.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5NAN
 | | Crystal Structure of human IL-17AF in complex with human IL-17RA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, ... | | Authors: | Rondeau, J.-M, Goepfert, A. | | Deposit date: | 2017-02-28 | | Release date: | 2017-09-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | The human IL-17A/F heterodimer: a two-faced cytokine with unique receptor recognition properties.
Sci Rep, 7, 2017
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6RA4
 | | Human ARGONAUTE-2 PAZ DOMAIN (214-347) IN COMPLEX WITH CGUGACUCU | | Descriptor: | GLYCEROL, Protein argonaute-2, RNA (5'-R(*CP*GP*UP*GP*AP*CP*UP*CP*U)-3') | | Authors: | Rondeau, J.-M, Bourgier, E. | | Deposit date: | 2019-04-05 | | Release date: | 2019-05-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | How to Computationally Stack the Deck for Hit-to-Lead Generation: In Silico Molecular Interaction Energy Profiling for de Novo siRNA Guide Strand Surrogate Selection.
J.Chem.Inf.Model., 59, 2019
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2F7M
 | | 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
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2F9K
 | | 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
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2F89
 | | 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
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2F94
 | | 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
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2F8C
 | | 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
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2F92
 | | 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
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2F8Z
 | | 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
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1AH4
 | | PIG ALDOSE REDUCTASE, HOLO FORM | | Descriptor: | ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Moras, D, Podjarny, A. | | Deposit date: | 1997-04-12 | | Release date: | 1998-04-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A 'specificity' pocket inferred from the crystal structures of the complexes of aldose reductase with the pharmaceutically important inhibitors tolrestat and sorbinil.
Structure, 5, 1997
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1ILR
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1CP6
 | | 1-BUTANEBORONIC ACID BINDING TO AEROMONAS PROTEOLYTICA AMINOPEPTIDASE | | Descriptor: | 1-BUTANE BORONIC ACID, PROTEIN (AMINOPEPTIDASE), ZINC ION | | Authors: | Depaola, C.C, Bennett, B, Holz, R.C, Ringe, D, Petsko, G.A. | | Deposit date: | 1999-06-08 | | Release date: | 1999-06-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1-Butaneboronic acid binding to Aeromonas proteolytica aminopeptidase: a case of arrested development.
Biochemistry, 38, 1999
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