2LDF
 
 | | Solution structure of the long sarafotoxin srtx-m | | Descriptor: | Sarafotoxin-m | | Authors: | Cordier, F, Zorba, A, Hajj, M, Ducancel, F, Servent, D, Delepierre, M. | | Deposit date: | 2011-05-24 | | Release date: | 2011-09-21 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Pharmacological and structural characterization of long-sarafotoxins, a new family of endothelin-like peptides: Role of the C-terminus extension.
Biochimie, 94, 2012
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2LDE
 | | Solution structure of the long sarafotoxin srtx-i3 | | Descriptor: | Sarafotoxin-i3 | | Authors: | Cordier, F, Zorba, A, Hajj, M, Ducancel, F, Servent, D, Delepierre, M. | | Deposit date: | 2011-05-24 | | Release date: | 2011-09-21 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Pharmacological and structural characterization of long-sarafotoxins, a new family of endothelin-like peptides: Role of the C-terminus extension.
Biochimie, 94, 2012
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5L7F
 | | Crystal structure of MMP12 mutant K421A in complex with RXP470.1 conjugated with fluorophore Cy5,5 in space group P21. | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ... | | Authors: | Tepshi, L, Bordenave, T, Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A. | | Deposit date: | 2016-06-03 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis and in Vitro and in Vivo Evaluation of MMP-12 Selective Optical Probes.
Bioconjug.Chem., 27, 2016
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5L79
 | | Crystal structure of MMP12 in complex with RXP470.1 conjugated with fluorophore Cy5,5 in space group P21212. | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CY5.5-PEG2, ... | | Authors: | Tepshi, L, Bordenave, T, Devel, L, Dive, V, Stura, E.A. | | Deposit date: | 2016-06-02 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Synthesis and in Vitro and in Vivo Evaluation of MMP-12 Selective Optical Probes.
Bioconjug.Chem., 27, 2016
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5M4V
 | | X-ray structure of the mambaquaretin-1, a selective antagonist of the vasopressin type 2 receptor | | Descriptor: | CHLORIDE ION, Mambaquaretin-1, S-1,2-PROPANEDIOL | | Authors: | Stura, E.A, Vera, L, Ciolek, J, Mourier, G, Gilles, N. | | Deposit date: | 2016-10-19 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Green mamba peptide targets type-2 vasopressin receptor against polycystic kidney disease.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5CZM
 | | Crystal structure of a mutated catalytic domain of Human MMP12 in complex with RXP470 | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ... | | Authors: | Rouanet-Mehouas, C, Roselia, L, Devel, L, Dive, V, Stura, E.A. | | Deposit date: | 2015-07-31 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.303 Å) | | Cite: | Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity.
J. Med. Chem., 60, 2017
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5CXA
 | | Crystal structure of the catalytic domain of Human MMP12 in complex with a carboxylate inhibitor related to RXP470 | | Descriptor: | (R)-4-(((S)-1-(((S)-1-amino-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-3-((3-(3'-chloro-[1,1'-biphenyl]-4-yl)isoxazol-5-yl)methyl)-4-oxobutanoate, CALCIUM ION, Macrophage metalloelastase, ... | | Authors: | Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A. | | Deposit date: | 2015-07-28 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity.
J. Med. Chem., 60, 2017
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5D2B
 | | Crystal structure of a mutated catalytic domain of Human MMP12 in complex with an hydroxamate analogue of RXP470 | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-[(2R)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ... | | Authors: | Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A. | | Deposit date: | 2015-08-05 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity.
J. Med. Chem., 60, 2017
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5D3C
 | | Crystal structure of a double mutant catalytic domain of Human MMP12 in complex with an hydroxamate analogue of RXP470 | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-[(2R)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ... | | Authors: | Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A. | | Deposit date: | 2015-08-06 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.314 Å) | | Cite: | Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity.
J. Med. Chem., 60, 2017
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4KS6
 | | Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S mutant with covalent inhibitor that modifies Cys-165 causing disorder in 166-174 stretch | | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Stura, E.A, Vera, L, Guitot, K, Dive, V. | | Deposit date: | 2013-05-17 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Covalent modification of the active site cysteine stresses Clostridium botulinum neurotoxin A
To be Published
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4KUF
 | | Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134 mutant with MTSEA modified Cys-165 causing stretch disorder | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, ... | | Authors: | Stura, E.A, Vera, L, Ptchelkine, D, Bakirci, H, Garcia, S, Dive, V. | | Deposit date: | 2013-05-22 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.697 Å) | | Cite: | Covalent modification of the active site cysteine stresses Clostridium botulinum neurotoxin A
To be Published
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4KTX
 | | Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S mutant with covalent inhibitor that modifies Cys-165 causing disorder in 167-174 stretch | | Descriptor: | Botulinum neurotoxin A light chain, GLYCEROL, Peptide inhibitor MPT-DPP-ARG-G-LEU-NH2, ... | | Authors: | Stura, E.A, Vera, L, Guitot, K, Dive, V. | | Deposit date: | 2013-05-21 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Covalent modification of the active site cysteine stresses Clostridium botulinum neurotoxin A
To be Published
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4JIJ
 | | Crystal structure of an inactive mutant of MMP-9 catalytic domain in complex with a fluorogenic synthetic peptidic substrate | | Descriptor: | 1,2-ETHANEDIOL, AZIDE ION, CALCIUM ION, ... | | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Tranchant, I, Amoura, M, Dive, V. | | Deposit date: | 2013-03-06 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Halogen Bonding Controls Selectivity of FRET Substrate Probes for MMP-9.
Chem.Biol., 21, 2014
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4JQG
 | | Crystal structure of an inactive mutant of MMP-9 catalytic domain in complex with a fluorogenic synthetic peptidic substrate with a fluorine atom. | | Descriptor: | 1,2-ETHANEDIOL, AZIDE ION, CALCIUM ION, ... | | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Tranchant, I, Amoura, M, Dive, V. | | Deposit date: | 2013-03-20 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.849 Å) | | Cite: | Halogen Bonding Controls Selectivity of FRET Substrate Probes for MMP-9.
Chem.Biol., 21, 2014
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4ELC
 | | Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134 mutant with MTSEA modified Cys-165 | | Descriptor: | (2S)-2-hydroxybutanedioic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Botulinum neurotoxin A light chain, ... | | Authors: | Stura, E.A, Vera, L, Ptchelkine, D, Bakirci, H, Garcia, S, Dive, V. | | Deposit date: | 2012-04-10 | | Release date: | 2012-08-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165.
J.Biol.Chem., 287, 2012
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7Q5A
 | | Lanreotide nanotube | | Descriptor: | Lanreotide | | Authors: | Pieri, L, Wang, F, Arteni, A.A, Bressanelli, S, Egelman, E.H, Paternostre, M. | | Deposit date: | 2021-11-03 | | Release date: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (2.46 Å) | | Cite: | Atomic structure of Lanreotide nanotubes revealed by cryo-EM.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6OAC
 | | PQR530 [(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine] bound to the PI3Ka catalytic subunit p110alpha | | Descriptor: | 4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Burke, J.E, McPhail, J.A. | | Deposit date: | 2019-03-15 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | (S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine (PQR530), a Potent, Orally Bioavailable, and Brain-Penetrable Dual Inhibitor of Class I PI3K and mTOR Kinase.
J.Med.Chem., 62, 2019
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5JHA
 | | Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin2 | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol | | Authors: | Burke, J.E, Inglis, A.J, Williams, R.L. | | Deposit date: | 2016-04-20 | | Release date: | 2017-03-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
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5JHB
 | | Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin3 | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol | | Authors: | Burke, J.E, Inglis, A.J, Williams, R.L. | | Deposit date: | 2016-04-20 | | Release date: | 2017-03-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
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5M8D
 | | Tubulin MTD265-R1 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | | Deposit date: | 2016-10-28 | | Release date: | 2017-03-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
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5M8G
 | | Tubulin-MTD265 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | | Deposit date: | 2016-10-28 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.147 Å) | | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
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5M7G
 | | Tubulin-MTD147 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | | Deposit date: | 2016-10-27 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.248 Å) | | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
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5M7E
 | | Tubulin-BKM120 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | | Deposit date: | 2016-10-27 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.046 Å) | | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
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1BXM
 | | ENGINEERED BETA-CRYPTOGEIN COMPLEXED WITH ERGOSTEROL | | Descriptor: | BETA-CRYPTOGEIN, ERGOSTEROL | | Authors: | Boissy, G, Brunie, S. | | Deposit date: | 1998-10-05 | | Release date: | 1999-06-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The 2.1 A structure of an elicitin-ergosterol complex: a recent addition to the Sterol Carrier Protein family.
Protein Sci., 8, 1999
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1BEO
 | | BETA-CRYPTOGEIN | | Descriptor: | BETA-CRYPTOGEIN | | Authors: | Boissy, G, De La Fortelle, E, Kahn, R, Huet, J.C, Bricogne, G, Pernollet, J.C, Brunie, S. | | Deposit date: | 1996-08-02 | | Release date: | 1997-05-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a fungal elicitor secreted by Phytophthora cryptogea, a member of a novel class of plant necrotic proteins.
Structure, 4, 1996
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