5D3C
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![BU of 5d3c by Molmil](/molmil-images/mine/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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3NXQ
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![BU of 3nxq by Molmil](/molmil-images/mine/3nxq) | Angiotensin Converting Enzyme N domain glycsoylation mutant (Ndom389) in complex with RXP407 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, CHLORIDE ION, ... | Authors: | Anthony, C.S, Corradi, H.R, Schwager, S.L.U, Redelinghuys, P, Georgiadis, D, Dive, V, Acharya, K.R, Sturrock, E.D. | Deposit date: | 2010-07-14 | Release date: | 2010-09-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The N domain of human angiotensin-I-converting enzyme: the role of N-glycosylation and the crystal structure in complex with an N domain-specific phosphinic inhibitor, RXP407. J.Biol.Chem., 285, 2010
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4JIJ
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![BU of 4jij by Molmil](/molmil-images/mine/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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5D2B
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![BU of 5d2b by Molmil](/molmil-images/mine/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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4KUF
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![BU of 4kuf by Molmil](/molmil-images/mine/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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1HV5
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![BU of 1hv5 by Molmil](/molmil-images/mine/1hv5) | CRYSTAL STRUCTURE OF THE STROMELYSIN-3 (MMP-11) CATALYTIC DOMAIN COMPLEXED WITH A PHOSPHINIC INHIBITOR | Descriptor: | 1-BENZYLOXYCARBONYLAMINO-2-PHENYL-ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-3-YL)-ETHYLCARBAMOYL]-5-PHENYL-PENTYL}-PHOSPHINIC ACID, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CALCIUM ION, ... | Authors: | Gall, A.L, Ruff, M, Kannan, R, Cuniasse, P, Yiotakis, A, Dive, V, Rio, M.C, Basset, P, Moras, D. | Deposit date: | 2001-01-08 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the stromelysin-3 (MMP-11) catalytic domain complexed with a phosphinic inhibitor mimicking the transition-state. J.Mol.Biol., 307, 2001
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1LFW
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![BU of 1lfw by Molmil](/molmil-images/mine/1lfw) | Crystal structure of pepV | Descriptor: | 3-[(1-AMINO-2-CARBOXY-ETHYL)-HYDROXY-PHOSPHINOYL]-2-METHYL-PROPIONIC ACID, ZINC ION, pepV | Authors: | Jozic, D, Bourenkow, G, Bartunik, H, Scholze, H, Dive, V, Henrich, B, Huber, R, Bode, W, Maskos, K. | Deposit date: | 2002-04-12 | Release date: | 2002-10-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the Dinuclear Zinc Aminopeptidase PepV from Lactobacillus delbrueckii Unravels Its Preference for Dipeptides Structure, 10, 2002
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4H84
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![BU of 4h84 by Molmil](/molmil-images/mine/4h84) | Crystal structure of the catalytic domain of Human MMP12 in complex with a selective carboxylate based inhibitor. | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Stura, E.A, Antoni, C, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | Deposit date: | 2012-09-21 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.592 Å) | Cite: | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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4H3X
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![BU of 4h3x by Molmil](/molmil-images/mine/4h3x) | Crystal structure of an MMP broad spectrum hydroxamate based inhibitor CC27 in complex with the MMP-9 catalytic domain | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | Deposit date: | 2012-09-14 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.764 Å) | Cite: | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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4H76
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![BU of 4h76 by Molmil](/molmil-images/mine/4h76) | Crystal structure of the catalytic domain of Human MMP12 in complex with a broad spectrum hydroxamate inhibitor | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | Deposit date: | 2012-09-20 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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4GQL
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![BU of 4gql by Molmil](/molmil-images/mine/4gql) | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470.1 | 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: | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | Deposit date: | 2012-08-23 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J.Med.Chem., 56, 2013
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4GR3
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![BU of 4gr3 by Molmil](/molmil-images/mine/4gr3) | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470A | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-{(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alpha-glutamyl-L-al pha-glutamine, ... | Authors: | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | Deposit date: | 2012-08-24 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.494 Å) | Cite: | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J.Med.Chem., 56, 2013
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4GR8
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![BU of 4gr8 by Molmil](/molmil-images/mine/4gr8) | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470C | Descriptor: | CALCIUM ION, IMIDAZOLE, Macrophage metalloelastase, ... | Authors: | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | Deposit date: | 2012-08-24 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.299 Å) | Cite: | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J.Med.Chem., 56, 2013
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4GR0
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![BU of 4gr0 by Molmil](/molmil-images/mine/4gr0) | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470B | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-a lanyl-L-alaninamide, ... | Authors: | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | Deposit date: | 2012-08-24 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J.Med.Chem., 56, 2013
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4CA6
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![BU of 4ca6 by Molmil](/molmil-images/mine/4ca6) | Human Angiotensin converting enzyme N-domain in complex with a phosphinic tripeptide FI | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME N-DOMAIN, CHLORIDE ION, ... | Authors: | Masuyer, G, Akif, M, Czarny, B, Beau, F, Schwager, S.L.U, Sturrock, E.D, Isaac, R.E, Dive, V, Acharya, K.R. | Deposit date: | 2013-10-07 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal structures of highly specific phosphinic tripeptide enantiomers in complex with the angiotensin-I converting enzyme. FEBS J., 281, 2014
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4CA5
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![BU of 4ca5 by Molmil](/molmil-images/mine/4ca5) | Human Angiotensin converting enzyme in complex with a phosphinic tripeptide FI | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Masuyer, G, Akif, M, Czarny, B, Beau, F, Schwager, S.L.U, Sturrock, E.D, Isaac, R.E, Dive, V, Acharya, K.R. | Deposit date: | 2013-10-07 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structures of Highly Specific Phosphinic Tripeptide Enantiomers in Complex with the Angiotensin-I Converting Enzyme. FEBS J., 281, 2014
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4EFS
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![BU of 4efs by Molmil](/molmil-images/mine/4efs) | Human MMP12 in complex with L-glutamate motif inhibitor | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Stura, E.A, Dive, V, Devel, L, Czarny, B, Beau, F, Vera, L. | Deposit date: | 2012-03-30 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Simple pseudo-dipeptides with a P2' glutamate: a novel inhibitor family of matrix metalloproteases and other metzincins. J.Biol.Chem., 287, 2012
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4ELC
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![BU of 4elc by Molmil](/molmil-images/mine/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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4CA7
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![BU of 4ca7 by Molmil](/molmil-images/mine/4ca7) | Drosophila Angiotensin converting enzyme (AnCE) in complex with a phosphinic tripeptide FI | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, N-{(2S)-3-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tyrosine, ... | Authors: | Masuyer, G, Akif, M, Czarny, B, Beau, F, Schwager, S.L.U, Sturrock, E.D, Isaac, R.E, Dive, V, Acharya, K.R. | Deposit date: | 2013-10-07 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal Structures of Highly Specific Phosphinic Tripeptide Enantiomers in Complex with the Angiotensin-I Converting Enzyme. FEBS J., 281, 2014
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4CA8
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![BU of 4ca8 by Molmil](/molmil-images/mine/4ca8) | Drosophila Angiotensin converting enzyme (AnCE) in complex with a phosphinic tripeptide FII | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, SULFATE ION, ... | Authors: | Masuyer, G, Akif, M, Czarny, B, Beau, F, Schwager, S.L.U, Sturrock, E.D, Isaac, R.E, Dive, V, Acharya, K.R. | Deposit date: | 2013-10-07 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal Structures of Highly Specific Phosphinic Tripeptide Enantiomers in Complex with the Angiotensin-I Converting Enzyme. FEBS J., 281, 2014
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4EJ5
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![BU of 4ej5 by Molmil](/molmil-images/mine/4ej5) | 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
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4EL4
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![BU of 4el4 by Molmil](/molmil-images/mine/4el4) | 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
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4FVL
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![BU of 4fvl by Molmil](/molmil-images/mine/4fvl) | 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
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4G0D
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![BU of 4g0d by Molmil](/molmil-images/mine/4g0d) | 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
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4FU4
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![BU of 4fu4 by Molmil](/molmil-images/mine/4fu4) | 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
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