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6TZ7
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BU of 6tz7 by Molmil
Crystal Structure of Aspergillus fumigatus Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus)
Descriptor: 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ...
Authors:Fox III, D, Horanyi, P.S.
Deposit date:2019-08-10
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
8QU1
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BU of 8qu1 by Molmil
mt-LSU assembly intermediate in GTPBP8 knock-out cells, state 1
Descriptor: 16S ribosomal RNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M.
Deposit date:2023-10-13
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:GTPBP8 plays a role in mitoribosome formation in human mitochondria
Nat Commun, 2024
8QRK
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BU of 8qrk by Molmil
mt-SSU assembly intermediate in GTPBP8 knock-out cells, state 1
Descriptor: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
Authors:Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M.
Deposit date:2023-10-09
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (6.69 Å)
Cite:GTPBP8 is essential for mitoribosome formation in human mitochondria
Nat Commun, 2024
8QRM
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BU of 8qrm by Molmil
mt-SSU assembly intermediate in GTPBP8 knock-out cells, state 3
Descriptor: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
Authors:Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M.
Deposit date:2023-10-09
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:GTPBP8 plays a role in mitoribosome formation in human mitochondria
Nat Commun, 2024
8QRL
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BU of 8qrl by Molmil
mt-SSU assembly intermediate in GTPBP8 knock-out cells, state 2
Descriptor: 12S mitochondrial rRNA, 12S rRNA N4-methylcytidine (m4C) methyltransferase, 28S ribosomal protein S10, ...
Authors:Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M.
Deposit date:2023-10-09
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:GTPBP8 is essential for mitoribosome formation in human mitochondria
Nat Commun, 2024
8QU5
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BU of 8qu5 by Molmil
mt-LSU assembly intermediate in GTPBP8 knock-out cells, state 2
Descriptor: 16S ribosomal RNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M.
Deposit date:2023-10-13
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (2.42 Å)
Cite:GTPBP8 plays a role in mitoribosome formation in human mitochondria
Nat Commun, 2024
6TZ6
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BU of 6tz6 by Molmil
Crystal Structure of Candida Albicans Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus)
Descriptor: 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ...
Authors:Fox III, D, Lukacs, C.M.
Deposit date:2019-08-10
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
8PO2
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BU of 8po2 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R]
Descriptor: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO0
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BU of 8po0 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 12 bound to EGFRinsNPG
Descriptor: 1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.523 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
6TZ8
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BU of 6tz8 by Molmil
Crystal structure of Cryptococcus neoformans Calceineurin A, Calcineurin B, and FKBP12 with FK-506
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, Calcineurin subunit B, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-08-10
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
8PO3
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BU of 8po3 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R]
Descriptor: 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO1
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BU of 8po1 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [V948R]
Descriptor: 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor, IODIDE ION
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO4
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BU of 8po4 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFR[V948R]
Descriptor: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Epidermal growth factor receptor, ...
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.621 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
5VFC
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BU of 5vfc by Molmil
WDR5 bound to inhibitor MM-589
Descriptor: 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ...
Authors:Stuckey, J.A.
Deposit date:2017-04-07
Release date:2017-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J. Med. Chem., 60, 2017
8PNZ
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BU of 8pnz by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR
Descriptor: 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
6RRE
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BU of 6rre by Molmil
SidD, deAMPylase from Legionella pneumophila
Descriptor: Adenosine monophosphate-protein hydrolase SidD, MAGNESIUM ION
Authors:Tascon, I, Lucas, M, Rojas, A.L, Hierro, A.
Deposit date:2019-05-17
Release date:2020-10-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.586 Å)
Cite:Structural insight into the membrane targeting domain of the Legionella deAMPylase SidD.
Plos Pathog., 16, 2020
6RP4
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BU of 6rp4 by Molmil
CDT of SidD, deAMPylase from Legionella pneumophila
Descriptor: Adenosine monophosphate-protein hydrolase SidD, GLYCEROL, MAGNESIUM ION, ...
Authors:Tascon, I, Lucas, M, Rojas, A.L, Hierro, A.
Deposit date:2019-05-13
Release date:2020-10-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insight into the membrane targeting domain of the Legionella deAMPylase SidD.
Plos Pathog., 16, 2020
2GSG
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BU of 2gsg by Molmil
Crystal structure of the Fv fragment of a monoclonal antibody specific for poly-glutamine
Descriptor: SULFATE ION, monoclonal antibody heavy chain, monoclonal antibody light chain
Authors:Li, P, Huey-Tubman, K.E, West Jr, A.P, Bennett, M.J, Bjorkman, P.J.
Deposit date:2006-04-26
Release date:2007-04-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of a polyQ-anti-polyQ complex reveals binding according to a linear lattice model.
Nat.Struct.Mol.Biol., 14, 2007
4ZLK
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BU of 4zlk by Molmil
Crystal structure of mouse myosin-5a in complex with calcium-bound calmodulin
Descriptor: CALCIUM ION, Calmodulin, Unconventional myosin-Va
Authors:Shen, M, Zhang, N, Zheng, S, Zhang, W.-B, Zhang, H.-M, Lu, Z, Su, Q.P, Sun, Y, Ye, K, Li, X.-D.
Deposit date:2015-05-01
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structural basis for calcium regulation of myosin 5 motor function
To Be Published
8GRY
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BU of 8gry by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with rat ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F.
Deposit date:2022-09-03
Release date:2023-07-19
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
8H06
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BU of 8h06 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.4/5 RBD in complex with human ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2022-09-28
Release date:2023-07-19
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
8DNK
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BU of 8dnk by Molmil
Crystal structure of human KRAS G12C covalently bound with Taiho WO2020/085493A1 compound 6
Descriptor: 2-{[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl}-4-chloro-1-methyl-N-(1-propanoylazetidin-3-yl)-1H-imidazole-5-carboxamide, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
Authors:Mohr, C.
Deposit date:2022-07-11
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
8DNI
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BU of 8dni by Molmil
Crystal structure of human KRAS G12C covalently bound with Araxes WO2020/028706A1 compound I-1
Descriptor: (4P)-4-(5-methyl-1H-indazol-4-yl)-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mohr, C.
Deposit date:2022-07-11
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
8DNJ
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BU of 8dnj by Molmil
Crystal structure of human KRAS G12C covalently bound with AstraZeneca WO2020/178282A1 compound 76
Descriptor: 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
Authors:Mohr, C.
Deposit date:2022-07-11
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
5MOY
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BU of 5moy by Molmil
Crystal structure of the BoNT/A2 receptor-binding domain in complex with the luminal domain of its neuronal receptor SV2C
Descriptor: 1,2-ETHANEDIOL, Botulinum neurotoxin type A, NONAETHYLENE GLYCOL, ...
Authors:Benoit, R.M, Scharer, M.A.
Deposit date:2016-12-14
Release date:2017-03-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Crystal structure of the BoNT/A2 receptor-binding domain in complex with the luminal domain of its neuronal receptor SV2C.
Sci Rep, 7, 2017

221716

數據於2024-06-26公開中

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