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4H3X
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BU of 4h3x by Molmil
Crystal structure of an MMP broad spectrum hydroxamate based inhibitor CC27 in complex with the MMP-9 catalytic domain
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A.
登録日2012-09-14
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.764 Å)
主引用文献Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
7AT6
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BU of 7at6 by Molmil
Structure of thaumatin collected by femtosecond serial crystallography on a COC membrane
分子名称: L(+)-TARTARIC ACID, R-1,2-PROPANEDIOL, SODIUM ION, ...
著者Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Wang, M, Pedrini, B.
登録日2020-10-29
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL
To Be Published
4KS6
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BU of 4ks6 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 166-174 stretch
分子名称: 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, DI(HYDROXYETHYL)ETHER, ...
著者Stura, E.A, Vera, L, Guitot, K, Dive, V.
登録日2013-05-17
公開日2014-06-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献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
分子名称: Botulinum neurotoxin A light chain, GLYCEROL, Peptide inhibitor MPT-DPP-ARG-G-LEU-NH2, ...
著者Stura, E.A, Vera, L, Guitot, K, Dive, V.
登録日2013-05-21
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Covalent modification of the active site cysteine stresses Clostridium botulinum neurotoxin A
To be Published
4EFS
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BU of 4efs by Molmil
Human MMP12 in complex with L-glutamate motif inhibitor
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Stura, E.A, Dive, V, Devel, L, Czarny, B, Beau, F, Vera, L.
登録日2012-03-30
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Simple pseudo-dipeptides with a P2' glutamate: a novel inhibitor family of matrix metalloproteases and other metzincins.
J.Biol.Chem., 287, 2012
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
分子名称: (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, ...
著者Stura, E.A, Vera, L, Ptchelkine, D, Bakirci, H, Garcia, S, Dive, V.
登録日2013-05-22
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Covalent modification of the active site cysteine stresses Clostridium botulinum neurotoxin A
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
分子名称: (2S)-2-hydroxybutanedioic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Botulinum neurotoxin A light chain, ...
著者Stura, E.A, Vera, L, Ptchelkine, D, Bakirci, H, Garcia, S, Dive, V.
登録日2012-04-10
公開日2012-08-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, CARBONATE ION, ...
著者Stura, E.A, Vera, L, Dive, V.
登録日2012-04-06
公開日2012-08-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, GLYCEROL, ...
著者Stura, E.A, Vera, L, Ptchelkine, D, Dive, V.
登録日2012-04-10
公開日2012-08-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165.
J.Biol.Chem., 287, 2012
4H49
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BU of 4h49 by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a twin inhibitor.
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Antoni, C, Stura, E.A, Vera, L, Nuti, E, Carafa, L, Cassar-Lajeunesse, E, Dive, V, Rossello, A.
登録日2012-09-17
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
4H30
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BU of 4h30 by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a twin inhibitor.
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Antoni, C, Stura, E.A, Vera, L, Nuti, E, Carafa, L, Cassar-Lajeunesse, E, Dive, V, Rossello, A.
登録日2012-09-13
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
4HMA
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BU of 4hma by Molmil
Crystal structure of an MMP twin carboxylate based inhibitor LC20 in complex with the MMP-9 catalytic domain
分子名称: CALCIUM ION, D-MALATE, DI(HYDROXYETHYL)ETHER, ...
著者Stura, E.A, Antoni, C, Vera, L, Nuti, E, Carafa, L, Cassar-Lajeunesse, E, Dive, V, Rossello, A.
登録日2012-10-18
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
4GQL
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BU of 4gql by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470.1
分子名称: 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, ...
著者Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
登録日2012-08-23
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
4GR3
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BU of 4gr3 by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470A
分子名称: 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, ...
著者Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
登録日2012-08-24
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.494 Å)
主引用文献Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
4GR8
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BU of 4gr8 by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470C
分子名称: CALCIUM ION, IMIDAZOLE, Macrophage metalloelastase, ...
著者Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
登録日2012-08-24
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.299 Å)
主引用文献Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
4GR0
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BU of 4gr0 by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470B
分子名称: 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, ...
著者Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
登録日2012-08-24
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
4I03
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BU of 4i03 by Molmil
Human MMP12 in complex with a PEG-linked bifunctional L-glutamate motif inhibitor
分子名称: (4R,22R)-5,21-dioxo-4,22-bis({3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}amino)-10,13,16-trioxa-6,20-diazapentacosane-1,25-dioic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Stura, E.A, Vera, L, Devel, L, Cassar-Lajeunesse, E, Dive, V.
登録日2012-11-16
公開日2013-04-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
7AC2
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BU of 7ac2 by Molmil
Structure of Hen Egg White Lysozyme collected by rotation serial crystallography on a COC membrane at a synchrotron source
分子名称: CHLORIDE ION, Lysozyme, SODIUM ION
著者Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Vera, L, Wang, M, Marsh, M.
登録日2020-09-09
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.507 Å)
主引用文献Versatile microporous polymer-based supports for serial macromolecular crystallography.
Acta Crystallogr D Struct Biol, 77, 2021
7AC3
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BU of 7ac3 by Molmil
Structure of thaumatin collected by rotation serial crystallography on a COC membrane at a synchrotron source
分子名称: L(+)-TARTARIC ACID, S-1,2-PROPANEDIOL, SODIUM ION, ...
著者Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Vera, L, Wang, M, Marsh, M.
登録日2020-09-09
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Versatile microporous polymer-based supports for serial macromolecular crystallography.
Acta Crystallogr D Struct Biol, 77, 2021
7AC4
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BU of 7ac4 by Molmil
Structure of insulin collected by rotation serial crystallography on a COC membrane at a synchrotron source
分子名称: Insulin, R-1,2-PROPANEDIOL, SODIUM ION
著者Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Vera, L, Wang, M, Marsh, M.
登録日2020-09-09
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Versatile microporous polymer-based supports for serial macromolecular crystallography.
Acta Crystallogr D Struct Biol, 77, 2021
4JQG
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BU of 4jqg by Molmil
Crystal structure of an inactive mutant of MMP-9 catalytic domain in complex with a fluorogenic synthetic peptidic substrate with a fluorine atom.
分子名称: 1,2-ETHANEDIOL, AZIDE ION, CALCIUM ION, ...
著者Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Tranchant, I, Amoura, M, Dive, V.
登録日2013-03-20
公開日2014-03-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Halogen Bonding Controls Selectivity of FRET Substrate Probes for MMP-9.
Chem.Biol., 21, 2014
4H1Q
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BU of 4h1q by Molmil
Crystal structure of mutant MMP-9 catalytic domain in complex with a twin inhibitor.
分子名称: CALCIUM ION, Matrix metalloproteinase-9, N-(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide, ...
著者Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Catalani, M.P, Dive, V, Rossello, A.
登録日2012-09-11
公開日2013-04-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
4H2E
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BU of 4h2e by Molmil
Crystal structure of an MMP twin inhibitor complexing two MMP-9 catalytic domains
分子名称: ACETATE ION, BICINE, CALCIUM ION, ...
著者Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Catalani, M.P, Dive, V, Rossello, A.
登録日2012-09-12
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
4H82
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BU of 4h82 by Molmil
Crystal structure of mutant MMP-9 catalytic domain in complex with a twin inhibitor.
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Antoni, C, Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A.
登録日2012-09-21
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
4JIJ
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BU of 4jij by Molmil
Crystal structure of an inactive mutant of MMP-9 catalytic domain in complex with a fluorogenic synthetic peptidic substrate
分子名称: 1,2-ETHANEDIOL, AZIDE ION, CALCIUM ION, ...
著者Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Tranchant, I, Amoura, M, Dive, V.
登録日2013-03-06
公開日2014-03-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Halogen Bonding Controls Selectivity of FRET Substrate Probes for MMP-9.
Chem.Biol., 21, 2014

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