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3QUM
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BU of 3qum by Molmil
Crystal structure of human prostate specific antigen (PSA) in Fab sandwich with a high affinity and a PCa selective antibody
Descriptor: Fab 5D3D11 Heavy Chain, Fab 5D3D11 Light Chain, Fab 5D5A5 Heavy Chain, ...
Authors:Stura, E.A, Muller, B.H, Michel, S, Ducancel, F.
Deposit date:2011-02-24
Release date:2011-11-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of human prostate-specific antigen in a sandwich antibody complex.
J.Mol.Biol., 414, 2011
2C8G
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BU of 2c8g by Molmil
Structure of the PN loop Q182A mutant C3bot1 Exoenzyme (Free state, crystal form I)
Descriptor: MONO-ADP-RIBOSYLTRANSFERASE C3, SULFATE ION
Authors:Stura, E.A, Menetrey, J, Flatau, G, Boquet, P, Menez, A.
Deposit date:2005-12-03
Release date:2007-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Properties of Wild-Type and Two Artt Motif Mutants Clostridium Botulinum C3 Exoenzyme Isoform 1 in Different Substrate Complexed States and Crystal Forms.
To be Published
2C8H
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BU of 2c8h by Molmil
Structure of the PN loop Q182A mutant C3bot1 Exoenzyme (NAD-bound state, crystal form I)
Descriptor: MONO-ADP-RIBOSYLTRANSFERASE C3, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Stura, E.A, Menetrey, J, Flatau, G, Boquet, P, Menez, A.
Deposit date:2005-12-03
Release date:2007-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Properties of Wild-Type and Two Artt Motif Mutants Clostridium Botulinum C3 Exoenzyme Isoform 1 in Different Substrate Complexed States and Crystal Forms.
To be Published
4ELC
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BU of 4elc by Molmil
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
4EJ5
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BU of 4ej5 by Molmil
Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A wild-type
Descriptor: 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, CARBONATE ION, ...
Authors:Stura, E.A, Vera, L, Dive, V.
Deposit date:2012-04-06
Release date:2012-08-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165.
J.Biol.Chem., 287, 2012
4EL4
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BU of 4el4 by Molmil
Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S/C165S double mutant
Descriptor: 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, GLYCEROL, ...
Authors:Stura, E.A, Vera, L, Ptchelkine, D, Dive, V.
Deposit date:2012-04-10
Release date:2012-08-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165.
J.Biol.Chem., 287, 2012
4FVL
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BU of 4fvl by Molmil
Human collagenase 3 (MMP-13) full form with peptides from pro-domain
Descriptor: CALCIUM ION, CHLORIDE ION, Collagenase 3, ...
Authors:Stura, E.A, Vera, L, Visse, R, Nagase, H, Dive, V.
Deposit date:2012-06-29
Release date:2013-08-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.436 Å)
Cite:Crystal structure of full-length human collagenase 3 (MMP-13) with peptides in the active site defines exosites in the catalytic domain.
Faseb J., 27, 2013
4G0D
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BU of 4g0d by Molmil
Human collagenase 3 (MMP-13) full form with peptides from pro-domain
Descriptor: CALCIUM ION, CHLORIDE ION, Collagenase 3, ...
Authors:Stura, E.A, Vera, L, Visse, R, Nagase, H, Dive, V.
Deposit date:2012-07-09
Release date:2013-08-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Crystal structure of full-length human collagenase 3 (MMP-13) with peptides in the active site defines exosites in the catalytic domain.
Faseb J., 27, 2013
4FU4
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BU of 4fu4 by Molmil
Human collagenase 3 (MMP-13) with peptide from pro-domain
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Stura, E.A, Vera, L, Visse, R, Nagase, H, Dive, V.
Deposit date:2012-06-28
Release date:2013-08-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.849 Å)
Cite:Crystal structure of full-length human collagenase 3 (MMP-13) with peptides in the active site defines exosites in the catalytic domain.
Faseb J., 27, 2013
4WZV
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BU of 4wzv by Molmil
Crystal structure of a hydroxamate based inhibitor EN140 in complex with the MMP-9 catalytic domain
Descriptor: (2R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide, 1,2-ETHANEDIOL, AZIDE ION, ...
Authors:Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A.
Deposit date:2014-11-20
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
J.Med.Chem., 58, 2015
4XCT
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BU of 4xct by Molmil
Crystal structure of a hydroxamate based inhibitor ARP101 (EN73) in complex with the MMP-9 catalytic domain.
Descriptor: (2S,3S)-butane-2,3-diol, (2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide, 1,2-ETHANEDIOL, ...
Authors:Stura, E.A, Tepshi, L, Nuti, E, Dive, V, Cassar-Lajeunesse, E, Vera, L, Rossello, A.
Deposit date:2014-12-18
Release date:2015-04-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
J.Med.Chem., 58, 2015
4TQI
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BU of 4tqi by Molmil
Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid in a dual binding mode
Descriptor: (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, GLYCEROL, Transthyretin
Authors:Stura, E.A, Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E.
Deposit date:2014-06-11
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
3F5V
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BU of 3f5v by Molmil
C2 Crystal form of mite allergen DER P 1
Descriptor: CALCIUM ION, Der p 1 allergen, HEXAETHYLENE GLYCOL
Authors:Stura, E.A, Minor, W, Chruszcz, M, Saint Remy, J.M.
Deposit date:2008-11-04
Release date:2009-02-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Crystal structures of mite allergens Der f 1 and Der p 1 reveal differences in surface-exposed residues that may influence antibody binding.
J.Mol.Biol., 386, 2009
3FEV
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BU of 3fev by Molmil
Crystal structure of the chimeric muscarinic toxin MT7 with loop 1 from MT1.
Descriptor: Fusion of Muscarinic toxin 1, Muscarinic m1-toxin1, SULFATE ION
Authors:Stura, E.A, Menez, R, Mourier, G, Fruchart-Gaillard, C, Menez, A, Servant, D.
Deposit date:2008-12-01
Release date:2009-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Engineering of three-finger fold toxins creates ligands with original pharmacological profiles for muscarinic and adrenergic receptors.
Plos One, 7, 2012
5I12
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BU of 5i12 by Molmil
Crystal structure of the catalytic domain of MMP-9 in complex with a selective sugar-conjugated arylsulfonamide carboxylate water-soluble inhibitor (DC27).
Descriptor: (2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
Deposit date:2016-02-05
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
5I3M
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BU of 5i3m by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated thiourea-linked carboxylate zinc-chelator water-soluble inhibitor (DC31).
Descriptor: (2S)-2-{[2-({[(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]carbamothioyl}amino)ethyl](biphenyl-4-ylsulfonyl)amino}-3-methylbutanoic acid (non-preferred name), 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ...
Authors:Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
Deposit date:2016-02-10
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
5I4O
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BU of 5i4o by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate zinc-chelator water-soluble inhibitor (DC28).
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-({1-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1H-1,2,3-triazol-4-yl}methyl)-N-[([1,1'-biphenyl]-4-yl)sulfonyl]-D-valine, ...
Authors:Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
Deposit date:2016-02-12
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
5I2Z
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BU of 5i2z by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelating water-soluble inhibitor (DC24).
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
Deposit date:2016-02-09
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
5I43
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BU of 5i43 by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelator water-soluble inhibitor (DC32).
Descriptor: (2R)-2-[({1-[3-({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)propyl]-1H-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name), 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
Deposit date:2016-02-11
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
5I0L
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BU of 5i0l by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated arylsulfonamide carboxylate water-soluble inhibitor (DC27).
Descriptor: (2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
Deposit date:2016-02-04
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
5K1N
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BU of 5k1n by Molmil
Human TTR altered by a rhenium tris-carbonyl Pyta-C12 derivative
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Stura, E.A, Ciccone, L, Shepard, W.
Deposit date:2016-05-18
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Human TTR conformation altered by rhenium tris-carbonyl derivatives.
J.Struct.Biol., 195, 2016
3KZ7
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BU of 3kz7 by Molmil
C-terminal domain of Murine FKBP25 rapamycin complex
Descriptor: FK506-binding protein 3, RAPAMYCIN IMMUNOSUPPRESSANT DRUG
Authors:Stura, E.A, Galat, A.
Deposit date:2009-12-08
Release date:2010-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Diversified targets of FKBP25 and its complex with rapamycin.
Int.J.Biol.Macromol., 69, 2014
5DO6
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BU of 5do6 by Molmil
Crystal structure of Dendroaspis polylepis venom mambalgin-1 T23A mutant
Descriptor: 1,2-ETHANEDIOL, IODIDE ION, Mambalgin-1, ...
Authors:Stura, E.A, Tepshi, L, Kessler, P, Gilles, M, Servent, D.
Deposit date:2015-09-10
Release date:2015-12-30
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:Mambalgin-1 Pain-relieving Peptide, Stepwise Solid-phase Synthesis, Crystal Structure, and Functional Domain for Acid-sensing Ion Channel 1a Inhibition.
J.Biol.Chem., 291, 2016
4KUF
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BU of 4kuf by Molmil
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
4KTX
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BU of 4ktx by Molmil
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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