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7NHI
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BU of 7nhi by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ004
Descriptor: (R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-02-10
Release date:2021-09-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
6DZ6
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BU of 6dz6 by Molmil
Structure of the Orthorhombic (Orthrhmb) Crystal Form of Human Apolipoprotein C1
Descriptor: Apolipoprotein C-I
Authors:McPherson, A.
Deposit date:2018-07-03
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of human apolipoprotein C-1 in four different crystal forms.
J. Lipid Res., 60, 2019
7NCX
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BU of 7ncx by Molmil
Crystal structure of GH30 (double mutant EE) from Thermothelomyces thermophila.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Dimarogona, M, Nikolaivits, E, Topakas, E, Weiss, M, Feiler, C.G.
Deposit date:2021-01-29
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Unique features of the bifunctional GH30 from Thermothelomyces thermophila revealed by structural and mutational studies
Carbohydrate Polymers, 273, 2021
4KR4
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BU of 4kr4 by Molmil
Salmonella typhi OmpF complex with Ampicillin
Descriptor: (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, Outer membrane protein F
Authors:Madhuranayaki, T, Balasubramaniam, D, Krishnaswamy, S.
Deposit date:2013-05-16
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Salmonella typhi OmpF complex with Ampicillin
To be published
6E10
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BU of 6e10 by Molmil
PTEX Core Complex in the Engaged (Extended) State
Descriptor: Endogenous cargo polypeptide, Exported protein 2, Heat shock protein 101, ...
Authors:Ho, C, Lai, M, Zhou, Z.H.
Deposit date:2018-07-08
Release date:2018-08-22
Last modified:2019-11-27
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Malaria parasite translocon structure and mechanism of effector export.
Nature, 561, 2018
8F7B
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BU of 8f7b by Molmil
LRRC8A(T48D):C conformation 2 top focus
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C
Authors:Kern, D.M, Brohawn, S.G.
Deposit date:2022-11-18
Release date:2023-03-08
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
7N7W
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BU of 7n7w by Molmil
Crystal Structure of SARS-CoV-2 NendoU in complex with CSC000178569
Descriptor: N-(2-fluorophenyl)-N'-methylurea, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-06-11
Release date:2021-09-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
8S94
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BU of 8s94 by Molmil
Structure of C-terminal domains of Walker B mutated MCM8/9 heterohexamer complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA helicase MCM8, DNA helicase MCM9, ...
Authors:Li, C, Gao, Y.
Deposit date:2023-03-27
Release date:2023-06-07
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Activity, substrate preference and structure of the HsMCM8/9 helicase.
Nucleic Acids Res., 51, 2023
7N83
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BU of 7n83 by Molmil
Crystal Structure of SARS-CoV-2 NendoU in complex with Z2443429438
Descriptor: (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine, CITRIC ACID, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-06-12
Release date:2021-09-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
6E07
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BU of 6e07 by Molmil
Crystal structure of Canton G6PD in complex with structural NADP
Descriptor: GLYCEROL, Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Rahighi, S, Mochly-Rosen, D, Wakatsuki, S.
Deposit date:2018-07-06
Release date:2018-07-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Correcting glucose-6-phosphate dehydrogenase deficiency with a small-molecule activator.
Nat Commun, 9, 2018
6E1Y
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BU of 6e1y by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Descriptor: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.219 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
7NH4
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BU of 7nh4 by Molmil
Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 3
Descriptor: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2021-02-10
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cellular model system to dissect the isoform-selectivity of Akt inhibitors.
Nat Commun, 12, 2021
8F77
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BU of 8f77 by Molmil
LRRC8A(T48D):C conformation 2 top focus
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C
Authors:Kern, D.M, Brohawn, S.G.
Deposit date:2022-11-18
Release date:2023-03-08
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
7N7U
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BU of 7n7u by Molmil
Crystal Structure of SARS-CoV-2 NendoU in complex with LIZA-7
Descriptor: 1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-06-11
Release date:2021-09-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
4KOQ
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BU of 4koq by Molmil
Crystal Structure of WHY3 from Arabidopsis thaliana
Descriptor: PHOSPHATE ION, Single-stranded DNA-binding protein WHY3, chloroplastic
Authors:Cappadocia, L, Parent, J.S, Brisson, N, Sygusch, J.
Deposit date:2013-05-12
Release date:2013-11-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A family portrait: structural comparison of the Whirly proteins from Arabidopsis thaliana and Solanum tuberosum.
Acta Crystallogr.,Sect.F, 69, 2013
7NH5
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BU of 7nh5 by Molmil
Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 6
Descriptor: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2021-02-10
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cellular model system to dissect the isoform-selectivity of Akt inhibitors.
Nat Commun, 12, 2021
8F74
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BU of 8f74 by Molmil
LRRC8A(T48D):C conformation 2 top focus
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C
Authors:Kern, D.M, Brohawn, S.G.
Deposit date:2022-11-18
Release date:2023-03-08
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
8S92
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BU of 8s92 by Molmil
Structure of N-terminal domains of Walker B mutated MCM8/9 heterohexamer complex with ADP
Descriptor: DNA helicase MCM8, DNA helicase MCM9
Authors:Li, C, Gao, Y.
Deposit date:2023-03-27
Release date:2023-06-07
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (4.06 Å)
Cite:Activity, substrate preference and structure of the HsMCM8/9 helicase.
Nucleic Acids Res., 51, 2023
6E0B
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BU of 6e0b by Molmil
Plasmodium falciparum dihydroorotate dehydrogenase C276F mutant bound with triazolopyrimidine-based inhibitor DSM1
Descriptor: 5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Tomchick, D.R, Phillips, M.A, Deng, X.
Deposit date:2018-07-06
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Identification and Mechanistic Understanding of Dihydroorotate Dehydrogenase Point Mutations in Plasmodium falciparum that Confer in Vitro Resistance to the Clinical Candidate DSM265.
ACS Infect Dis, 5, 2019
8S91
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BU of 8s91 by Molmil
Structure of Walker B mutated MCM8/9 heterohexamer complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA helicase MCM8, DNA helicase MCM9, ...
Authors:Li, C, Gao, Y.
Deposit date:2023-03-27
Release date:2023-06-07
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Activity, substrate preference and structure of the HsMCM8/9 helicase.
Nucleic Acids Res., 51, 2023
6E06
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BU of 6e06 by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine triphosphate solved by precipitant-ligand exchange (crystals grown in citrate precipitant)
Descriptor: ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
Deposit date:2018-07-06
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
Acta Crystallogr D Struct Biol, 74, 2018
7N7R
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BU of 7n7r by Molmil
Crystal Structure of SARS-CoV-2 NendoU in complex with Z2472938267
Descriptor: 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-06-11
Release date:2021-09-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
7N7Y
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BU of 7n7y by Molmil
Crystal Structure of SARS-CoV-2 NendoU in complex with Z18197050
Descriptor: Uridylate-specific endoribonuclease, methyl 4-sulfamoylbenzoate
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-06-11
Release date:2021-09-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
8SRZ
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BU of 8srz by Molmil
Structure of a bacterial death-like domain from Lysobacter enzymogenes
Descriptor: Probable serine protease FE772_23065
Authors:Johnson, A.G, Kranzusch, P.J.
Deposit date:2023-05-08
Release date:2023-06-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:CARD-like domains mediate anti-phage defense in bacterial gasdermin systems.
Biorxiv, 2023
4KQE
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BU of 4kqe by Molmil
The mutant structure of the human glycyl-tRNA synthetase E71G
Descriptor: GLYCEROL, Glycine--tRNA ligase
Authors:Qin, X, Hao, Z, Tian, Q, Zhang, Z, Zhou, C, Xie, W.
Deposit date:2013-05-15
Release date:2014-05-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.739 Å)
Cite:Large Conformational Changes of Insertion 3 in Human Glycyl-tRNA Synthetase (hGlyRS) during Catalysis
J.Biol.Chem., 291, 2016

224004

數據於2024-08-21公開中

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