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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
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
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
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
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
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
6M9B
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BU of 6m9b by Molmil
Wild-type streptavidin in complex with biotin solved by native SAD with data collected at 6 keV
分子名称: BIOTIN, Streptavidin
著者Finke, A.D.
登録日2018-08-23
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.548 Å)
主引用文献Making routine native SAD a reality: lessons from beamline X06DA at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 75, 2019
3NEQ
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BU of 3neq by Molmil
Crystal structure of the chimeric muscarinic toxin MT7 with loop 3 from MT1
分子名称: SULFATE ION, Three-finger muscarinic toxin 7
著者Stura, E.A, Servent, D, Menez, R, Mournier, G, Menez, A, Fruchart-Gaillard, C.
登録日2010-06-09
公開日2011-08-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Engineering of three-finger fold toxins creates ligands with original pharmacological profiles for muscarinic and adrenergic receptors.
Plos One, 7, 2012
3FEV
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BU of 3fev by Molmil
Crystal structure of the chimeric muscarinic toxin MT7 with loop 1 from MT1.
分子名称: Fusion of Muscarinic toxin 1, Muscarinic m1-toxin1, SULFATE ION
著者Stura, E.A, Menez, R, Mourier, G, Fruchart-Gaillard, C, Menez, A, Servant, D.
登録日2008-12-01
公開日2009-12-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Engineering of three-finger fold toxins creates ligands with original pharmacological profiles for muscarinic and adrenergic receptors.
Plos One, 7, 2012
6EKN
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BU of 6ekn by Molmil
Crystal structure of MMP12 in complex with inhibitor BE7.
分子名称: (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]pentanedioic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A.
登録日2017-09-26
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
6ELA
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BU of 6ela by Molmil
Crystal structure of MMP12 in complex with inhibitor BE4.
分子名称: (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ...
著者Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A.
登録日2017-09-28
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.485 Å)
主引用文献Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
6ESM
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BU of 6esm by Molmil
Crystal structure of MMP9 in complex with inhibitor BE4.
分子名称: (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, CALCIUM ION, Matrix metalloproteinase-9,Matrix metalloproteinase-9, ...
著者Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A.
登録日2017-10-23
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.104 Å)
主引用文献Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
7OVY
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BU of 7ovy by Molmil
Crystal structure of a dimeric based inhibitor JG34 in complex with the MMP-12 catalytic domain
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Macrophage metalloelastase, ...
著者Ciccone, L, Rossello, A, Vera, L, Nuti, E, Stura, E.A.
登録日2021-06-15
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Discovery of Dimeric Arylsulfonamides as Potent ADAM8 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
5NM2
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BU of 5nm2 by Molmil
A2A Adenosine receptor cryo structure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
著者Weinert, T, Cheng, R, James, D, Gashi, D, Nogly, P, Jaeger, K, Dore, A.S, Geng, T, Cooke, R, Hennig, M, Standfuss, J.
登録日2017-04-05
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.948 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NQU
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BU of 5nqu by Molmil
Tubulin Darpin cryo structure
分子名称: Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J.
登録日2017-04-21
公開日2017-09-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NM5
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BU of 5nm5 by Molmil
Tubulin Darpin room-temperature structure in complex with Colchicine determined by serial millisecond crystallography
分子名称: Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J.
登録日2017-04-05
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NM4
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BU of 5nm4 by Molmil
A2A Adenosine receptor room-temperature structure determined by serial femtosecond crystallography
分子名称: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ...
著者Weinert, T, Cheng, R, James, D, Gashi, D, Nogly, P, Jaeger, K, Hennig, M, Standfuss, J.
登録日2017-04-05
公開日2017-09-27
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NLX
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BU of 5nlx by Molmil
A2A Adenosine receptor room-temperature structure determined by serial millisecond crystallography
分子名称: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ...
著者Weinert, T, Cheng, R, James, D, Gashi, D, Nogly, P, Jaeger, K, Dore, A.S, Geng, T, Cooke, R, Hennig, M, Standfuss, J.
登録日2017-04-05
公開日2017-09-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NQT
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BU of 5nqt by Molmil
Tubulin Darpin room-temperature structure determined by serial millisecond crystallography
分子名称: DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J.
登録日2017-04-21
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5O5W
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BU of 5o5w by Molmil
Molybdenum storage protein room-temperature structure determined by serial millisecond crystallography
分子名称: (mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (VI), ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Steffen, B, Weinert, T, Ermler, U, Standfuss, J.
登録日2017-06-02
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
6G8B
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BU of 6g8b by Molmil
E. coli Aminopeptidase N solved by Native SAD from a dataset collected in 60 second with JUNGFRAU detector
分子名称: Aminopeptidase N, DIMETHYL SULFOXIDE, SODIUM ION, ...
著者Leonarski, F, Olieric, V, Redford, S, Wang, M.
登録日2018-04-08
公開日2018-08-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.374 Å)
主引用文献Fast and accurate data collection for macromolecular crystallography using the JUNGFRAU detector.
Nat. Methods, 15, 2018
7AC5
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BU of 7ac5 by Molmil
Structure of Tubulin Darpin complex 1 collected by rotation serial crystallography on a COC membrane at a synchrotron source
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Martiel, I, Olieric, N, Wranik, M, Padeste, C, Karpik, A, Huang, C.Y, Wang, M, Marsh, M.
登録日2020-09-10
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Versatile microporous polymer-based supports for serial macromolecular crystallography.
Acta Crystallogr D Struct Biol, 77, 2021
7AC6
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BU of 7ac6 by Molmil
Structure of sponge-phase grown PepTst2 collected by rotation serial crystallography on a COC membrane at a synchrotron source
分子名称: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 2-(2-METHOXYETHOXY)ETHANOL, Di-or tripeptide:H+ symporter, ...
著者Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Wang, M, Marsh, M.
登録日2020-09-10
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Versatile microporous polymer-based supports for serial macromolecular crystallography.
Acta Crystallogr D Struct Biol, 77, 2021
7AI9
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BU of 7ai9 by Molmil
Structure of Ribonucleotide reductase R2 from Escherichia coli collected by rotation serial crystallography on a COC membrane at a synchrotron source
分子名称: FE (III) ION, Ribonucleoside-diphosphate reductase 1 subunit beta
著者Aurelius, O, John, J, Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Hogbom, M, Wang, M, Marsh, M.
登録日2020-09-26
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Versatile microporous polymer-based supports for serial macromolecular crystallography.
Acta Crystallogr D Struct Biol, 77, 2021
7AI8
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BU of 7ai8 by Molmil
Structure of Ribonucleotide reductase R2 from Escherichia coli collected by still serial crystallography on a COC membrane at a synchrotron source
分子名称: FE (III) ION, Ribonucleoside-diphosphate reductase 1 subunit beta
著者Aurelius, O, John, J, Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Hogbom, M, Wang, M, Marsh, M.
登録日2020-09-26
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Versatile microporous polymer-based supports for serial macromolecular crystallography.
Acta Crystallogr D Struct Biol, 77, 2021

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