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8GKQ
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BU of 8gkq by Molmil
Crystal Structure Analysis of Aspergillus fumigatus alkaline protease
Descriptor: 1,2-ETHANEDIOL, Alkaline protease 1, CALCIUM ION, ...
Authors:Fernandez, D, Diec, D.D.L, Guo, W, Russi, S.
Deposit date:2023-03-20
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Targeting Aspergillus allergen oryzin with a chemical probe at atomic precision.
Sci Rep, 13, 2023
8GKO
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BU of 8gko by Molmil
Crystal Structure Analysis of Aspergillus fumigatus alkaline protease
Descriptor: 1,2-ETHANEDIOL, Alkaline protease 1, FORMYL GROUP, ...
Authors:Fernandez, D, Diec, D.D.L, Guo, W, Russi, S.
Deposit date:2023-03-20
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Targeting Aspergillus allergen oryzin with a chemical probe at atomic precision.
Sci Rep, 13, 2023
8U45
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BU of 8u45 by Molmil
Crystal Structure Analysis of Aspergillus fumigatus alkaline protease
Descriptor: Alkaline protease 1, CALCIUM ION, CHLORIDE ION, ...
Authors:Fernandez, D, Diec, D.D.L, Guo, W, Russi, S.
Deposit date:2023-09-08
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Targeting Aspergillus allergen oryzin with a chemical probe at atomic precision.
Sci Rep, 13, 2023
4A2Y
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BU of 4a2y by Molmil
STRUCTURE OF THE HUMAN EOSINOPHIL CATIONIC PROTEIN IN COMPLEX WITH CITRATE ANIONS
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CITRIC ACID, EOSINOPHIL CATIONIC PROTEIN
Authors:Boix, E, Pulido, D, Moussaoui, M, Nogues, V, Russi, S.
Deposit date:2011-09-29
Release date:2012-06-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Sulfate-Binding Site Structure of the Human Eosinophil Cationic Protein as Revealed by a New Crystal Form.
J.Struct.Biol., 179, 2012
4A2O
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BU of 4a2o by Molmil
STRUCTURE OF THE HUMAN EOSINOPHIL CATIONIC PROTEIN IN COMPLEX WITH SULFATE ANIONS
Descriptor: EOSINOPHIL CATIONIC PROTEIN, SULFATE ION
Authors:Boix, E, Pulido, D, Moussaoui, M, Nogues, V, Russi, S.
Deposit date:2011-09-28
Release date:2012-06-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The Sulfate-Binding Site Structure of the Human Eosinophil Cationic Protein as Revealed by a New Crystal Form.
J.Struct.Biol., 179, 2012
4K90
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BU of 4k90 by Molmil
Extracellular metalloproteinase from Aspergillus
Descriptor: BORIC ACID, CALCIUM ION, Extracellular metalloproteinase mep, ...
Authors:Fernandez, D, Russi, S, Vendrell, J, Monod, M, Pallares, I.
Deposit date:2013-04-19
Release date:2013-10-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A functional and structural study of the major metalloprotease secreted by the pathogenic fungus Aspergillus fumigatus.
Acta Crystallogr.,Sect.D, 69, 2013
7TIH
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BU of 7tih by Molmil
Structure of oxidized bovine cytochrome c oxidase with reduced metal centers induced by synchrotron X-ray exposure
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Ishigami, I, Rousseau, D.L, Yeh, S.-R, Russi, S, Cohen, A.
Deposit date:2022-01-13
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Temperature-dependent structural transition following X-ray-induced metal center reduction in oxidized cytochrome c oxidase.
J.Biol.Chem., 298, 2022
7TII
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BU of 7tii by Molmil
Annealed structure of oxidized bovine cytochrome c oxidase with reduced metal centers induced by synchrotron X-ray exposure
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Ishigami, I, Rousseau, D.L, Yeh, S.-R, Russi, S, Cohen, A.
Deposit date:2022-01-13
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Temperature-dependent structural transition following X-ray-induced metal center reduction in oxidized cytochrome c oxidase.
J.Biol.Chem., 298, 2022
7URY
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BU of 7ury by Molmil
Tetradecameric hub domain of CaMKII beta
Descriptor: Calcium/calmodulin-dependent protein kinase type II subunit beta, D-MALATE
Authors:Ozden, C, Saha, S, Samkutty, A, Stratton, M.M, Garman, S.C, Perry, S.L.
Deposit date:2022-04-22
Release date:2022-05-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Polymer-based microfluidic device for on-chip counter-diffusive crystallization and in situ X-ray crystallography at room temperature.
Lab Chip, 23, 2023
4CE8
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BU of 4ce8 by Molmil
Perdeuterated Pseudomonas aeruginosa Lectin II complex with hydrogenated L-Fucose and Calcium
Descriptor: CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, SULFATE ION, ...
Authors:Cuypers, M.G, Mitchell, E.P, Mossou, E, Pokorna, M, Wimmerova, M, Imberty, A, Moulin, M, Haertlein, M, Forsyth, V.T.
Deposit date:2013-11-10
Release date:2014-11-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L Fucose and Calcium
To be Published
1S6M
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BU of 1s6m by Molmil
Conjugative Relaxase Trwc In Complex With Orit DNA. Metal-Bound Structure
Descriptor: DNA (25-MER), NICKEL (II) ION, TrwC
Authors:Guasch, A, Lucas, M, Moncalian, G, Cabezas, M, Perez-Luque, R, Gomis-Ruth, F.X, de la Cruz, F, Coll, M.
Deposit date:2004-01-26
Release date:2005-06-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Unveiling the molecular mechanism of a conjugative relaxase: The structure of TrwC complexed with a 27-mer DNA comprising the recognition hairpin and the cleavage site.
J.Mol.Biol., 358, 2006
7KQW
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BU of 7kqw by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, methylated)
Descriptor: Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-11-17
Release date:2020-12-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KQP
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BU of 7kqp by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form)
Descriptor: Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-11-17
Release date:2020-12-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (0.88 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KQO
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BU of 7kqo by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (P43 crystal form)
Descriptor: Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-11-17
Release date:2020-12-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KR0
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BU of 7kr0 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 100 K)
Descriptor: Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-11-18
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.77 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KR1
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BU of 7kr1 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 310 K)
Descriptor: Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-11-18
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7TWS
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BU of 7tws by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 10 (P43 crystal form)
Descriptor: Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWI
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BU of 7twi by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 539 kGy)
Descriptor: Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWO
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BU of 7two by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 6 (P43 crystal form)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CITRIC ACID, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWG
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BU of 7twg by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 153 kGy)
Descriptor: Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWR
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BU of 7twr by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 8 (P43 crystal form)
Descriptor: ACETATE ION, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWP
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BU of 7twp by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 7 (P43 crystal form)
Descriptor: ACETATE ION, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TX4
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BU of 7tx4 by Molmil
Neutron crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P21 crystal form)
Descriptor: Papain-like protease nsp3
Authors:Correy, G.J, Fraser, J.S, Kovalevsky, A.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWJ
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BU of 7twj by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 4 (P43 crystal form)
Descriptor: CITRIC ACID, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWF
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BU of 7twf by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 73 kGy)
Descriptor: Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022

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