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7O87
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Crystal structure of holo-F210W mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1 in complex with hydroxypyruvate
Descriptor: 3-HYDROXYPYRUVIC ACID, BROMIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I.
Deposit date:2021-04-14
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
7O9K
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BU of 7o9k by Molmil
Human mitochondrial ribosome large subunit assembly intermediate with MTERF4-NSUN4, MRM2, MTG1, the MALSU module, GTPBP5 and mtEF-Tu
Descriptor: 16S rRNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Valentin Gese, G, Hallberg, B.M.
Deposit date:2021-04-16
Release date:2021-06-30
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for late maturation steps of the human mitoribosomal large subunit.
Nat Commun, 12, 2021
7O9M
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BU of 7o9m by Molmil
Human mitochondrial ribosome large subunit assembly intermediate with MTERF4-NSUN4, MRM2, MTG1 and the MALSU module
Descriptor: 16S rRNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Valentin Gese, G, Hallberg, B.M.
Deposit date:2021-04-16
Release date:2021-06-30
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for late maturation steps of the human mitoribosomal large subunit.
Nat Commun, 12, 2021
7O9N
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BU of 7o9n by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bicarbonate
Descriptor: BICARBONATE ION, Beta-lactamase
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-04-16
Release date:2022-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O9R
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BU of 7o9r by Molmil
Crystal structure of holo-H44A mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1
Descriptor: BROMIDE ION, DI(HYDROXYETHYL)ETHER, HpcH/HpaI aldolase, ...
Authors:Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I.
Deposit date:2021-04-16
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
7OA0
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BU of 7oa0 by Molmil
Crystal structure of di-phosphorylated human CLK1 in complex with 5-(6,7-dichloro-1H-indol-3-yl)pyrimidin-4-amine
Descriptor: 5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine, Dual specificity protein kinase CLK1
Authors:Livnah, O, Domovich, Y, Bracher, F, Aiger, C.
Deposit date:2021-04-18
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Development of novel CLK1 inhibitors as potential drugs for treatment of Chikungunya virus infections
To Be Published
7OA1
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BU of 7oa1 by Molmil
Crystal structure of alfa carbonic anhydrase from Schistosoma mansoni with 4-(2-(3-(4-iodophenyl)ureido)ethyl)benzenesulfonamide
Descriptor: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Angelil, A, Ferraroni, M.
Deposit date:2021-04-18
Release date:2022-05-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7OA4
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BU of 7oa4 by Molmil
Crystal structure of the N-terminal endonuclease domain of La Crosse virus L-protein bound to compound L-742,001
Descriptor: (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, FORMIC ACID, MANGANESE (II) ION, ...
Authors:Feracci, M, Hernandez, S, Vincentelli, R, Ferron, F, Reguera, J, Canard, B, Alvarez, K.
Deposit date:2021-04-19
Release date:2022-08-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Biophysical and structural study of La Crosse virus endonuclease inhibition for the development of new antiviral options.
Iucrj, 11, 2024
7OAO
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BU of 7oao by Molmil
Nanobody C5 bound to RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C5 nanobody, ...
Authors:Naismith, J.H, Mikolajek, H.
Deposit date:2021-04-19
Release date:2021-08-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAP
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BU of 7oap by Molmil
Nanobody H3 AND C1 bound to RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C1 nanobody, CHLORIDE ION, ...
Authors:Naismith, J.H, Mikolajek, H.
Deposit date:2021-04-19
Release date:2021-08-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAQ
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BU of 7oaq by Molmil
Nanobody H3 AND C1 bound to RBD with Kent mutation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
Authors:Naismith, J.H, Mikolajek, H.
Deposit date:2021-04-20
Release date:2021-08-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAU
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BU of 7oau by Molmil
Nanobody C5 bound to Kent variant RBD (N501Y)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C5, GLYCEROL, ...
Authors:Naismith, J.H, Mikolajek, H.
Deposit date:2021-04-20
Release date:2021-08-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAY
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BU of 7oay by Molmil
Nanobody F2 bound to RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, F2 nanobody, Spike protein S1
Authors:Naismith, J.H, Mikolajek, H.
Deposit date:2021-04-20
Release date:2021-08-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OBO
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BU of 7obo by Molmil
GSTF1 from Alopecurus myosuroides
Descriptor: (2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid, Glutathione transferase
Authors:Pohl, E, Eno, R.F.M, Freitag-Pohl, S.
Deposit date:2021-04-23
Release date:2022-04-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Flavonoid-based inhibitors of the Phi-class glutathione transferase from black-grass to combat multiple herbicide resistance.
Org.Biomol.Chem., 19, 2021
7OBR
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BU of 7obr by Molmil
RNC-SRP early complex
Descriptor: 28S rRNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Jomaa, A, Ban, N.
Deposit date:2021-04-23
Release date:2021-07-21
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Molecular mechanism of cargo recognition and handover by the mammalian signal recognition particle.
Cell Rep, 36, 2021
7OBW
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BU of 7obw by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa in complex with TCV-L6
Descriptor: FE (III) ION, Ferric enterobactin receptor, [4-[[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]ethanoylamino]propanoyl]amino]propanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{S})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate
Authors:Moynie, L, Naismith, J.H.
Deposit date:2021-04-23
Release date:2021-08-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Hijacking of the Enterobactin Pathway by a Synthetic Catechol Vector Designed for Oxazolidinone Antibiotic Delivery in Pseudomonas aeruginosa .
Acs Infect Dis., 8, 2022
7OCJ
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BU of 7ocj by Molmil
Crystal structure of E.coli LexA in complex with nanobody NbSOS2(Nb14509)
Descriptor: 1,2-ETHANEDIOL, LexA repressor, NbSOS2 (14509)
Authors:Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L.
Deposit date:2021-04-27
Release date:2022-10-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
7OD0
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BU of 7od0 by Molmil
Mirolysin in complex with compound 9
Descriptor: 1,2-ETHANEDIOL, 2,1,3-benzothiadiazol-4-ylmethanamine, ACETATE ION, ...
Authors:Zak, K.M, Bostock, M.J, Ksiazek, M.
Deposit date:2021-04-28
Release date:2021-08-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Latency, thermal stability, and identification of an inhibitory compound of mirolysin, a secretory protease of the human periodontopathogen Tannerella forsythia .
J Enzyme Inhib Med Chem, 36, 2021
7ODJ
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BU of 7odj by Molmil
Exo-mannosidase from Cellvibrio mixtus bound to N-alkyl mannocyclophellitol aziridine
Descriptor: (1R,2S,3R,4S,5R,6R)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Man5A, ...
Authors:McGregor, N.G.S, Davies, G.J.
Deposit date:2021-04-29
Release date:2022-02-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
7ODK
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BU of 7odk by Molmil
Plant peptide hormone receptor H1
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roman, A.O, Jimenez-Sandoval, P, Santiago, J.
Deposit date:2021-04-29
Release date:2022-02-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:HSL1 and BAM1/2 impact epidermal cell development by sensing distinct signaling peptides.
Nat Commun, 13, 2022
7ODM
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BU of 7odm by Molmil
AmGSTF1 Y118S variant
Descriptor: Glutathione transferase, [(2~{S})-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium
Authors:Pohl, E, Eno, R.F.M.
Deposit date:2021-04-30
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Flavonoid-based inhibitors of the Phi-class glutathione transferase from black-grass to combat multiple herbicide resistance.
Org.Biomol.Chem., 19, 2021
7ODR
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BU of 7odr by Molmil
State A of the human mitoribosomal large subunit assembly intermediate
Descriptor: 16S mitochondrial rRNA, DNA (31-MER),16S mitochondrial rRNA, 39S ribosomal protein L10, ...
Authors:Lenarcic, T, Jaskolowski, M, Leibundgut, M, Scaiola, A, Schoenhut, T, Saurer, M, Lee, R.G, Rackham, O, Filipovska, A, Ban, N.
Deposit date:2021-04-30
Release date:2021-06-23
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Stepwise maturation of the peptidyl transferase region of human mitoribosomes.
Nat Commun, 12, 2021
7ODS
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BU of 7ods by Molmil
State B of the human mitoribosomal large subunit assembly intermediate
Descriptor: 16S mitochondrial rRNA, DNA (30-MER),16S mitochondrial rRNA, 39S ribosomal protein L10, ...
Authors:Lenarcic, T, Jaskolowski, M, Leibundgut, M, Scaiola, A, Schoenhut, T, Saurer, M, Lee, R.G, Rackham, O, Filipovska, A, Ban, N.
Deposit date:2021-04-30
Release date:2021-06-23
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Stepwise maturation of the peptidyl transferase region of human mitoribosomes.
Nat Commun, 12, 2021
7ODT
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BU of 7odt by Molmil
State C of the human mitoribosomal large subunit assembly intermediate
Descriptor: 16S mitochondrial rRNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Lenarcic, T, Jaskolowski, M, Leibundgut, M, Scaiola, A, Schoenhut, T, Saurer, M, Lee, R.G, Rackham, O, Filipovska, A, Ban, N.
Deposit date:2021-04-30
Release date:2021-06-23
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Stepwise maturation of the peptidyl transferase region of human mitoribosomes.
Nat Commun, 12, 2021
7ODV
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BU of 7odv by Molmil
Plant peptide hormone receptor complex H1LS1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
Authors:Roman, A.O, Jimenez-Sandoval, P, Santiago, J.
Deposit date:2021-04-30
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:HSL1 and BAM1/2 impact epidermal cell development by sensing distinct signaling peptides.
Nat Commun, 13, 2022

238582

数据于2025-07-09公开中

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