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8CDQ
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BU of 8cdq by Molmil
Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002 and Mg.ATP-gamma-S
Descriptor: 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine, GLYCEROL, ...
Authors:Moussaoui, D, Robblee, J.P, Robert-Paganin, J, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Schaletzky, J, Wehri, E, Mueller-Dieckmann, C, Baum, J, Trybus, K.M, Houdusse, A.
Deposit date:2023-01-31
Release date:2023-06-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design.
Nat Commun, 14, 2023
8A12
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BU of 8a12 by Molmil
Plasmodium falciparum Myosin A full-length, post-rigor state complexed to Mg.ATP-gamma-S
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Moussaoui, D, Robblee, J.P, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Mueller-Dieckmann, C, Baum, J, Robert-Paganin, J, Trybus, K.M, Houdusse, A.
Deposit date:2022-05-31
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design.
Nat Commun, 14, 2023
8CDM
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BU of 8cdm by Molmil
Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002
Descriptor: 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine, Myosin A tail domain interacting protein, ...
Authors:Moussaoui, D, Robblee, J.P, Robert-Paganin, J, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Mueller-Dieckmann, C, Baum, J, Trybus, K.M, Houdusse, A.
Deposit date:2023-01-31
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002
To Be Published
5UMD
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BU of 5umd by Molmil
Structure of the Plasmodium falciparum 80S ribosome bound to the antimalarial drug mefloquine
Descriptor: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Wong, W, Bai, X.-C, Brown, A, Scheres, S, Baum, J.
Deposit date:2017-01-27
Release date:2017-03-01
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mefloquine targets the Plasmodium falciparum 80S ribosome to inhibit protein synthesis.
Nat Microbiol, 2, 2017
1P68
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BU of 1p68 by Molmil
Solution structure of S-824, a de novo designed four helix bundle
Descriptor: De novo designed protein S-824
Authors:Wei, Y, Kim, S, Fela, D, Baum, J, Hecht, M.H.
Deposit date:2003-04-29
Release date:2003-11-11
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of a de novo protein from a designed combinatorial library.
Proc.Natl.Acad.Sci.Usa, 100, 2003
6I7D
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BU of 6i7d by Molmil
Plasmodium falciparum Myosin A, post-rigor and rigor-like states
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Myosin-A
Authors:Robert-Paganin, J, Auguin, D, Moussaoui, D, Jousset, G, Baum, J, Trybus, K.M, Houdusse, A.
Deposit date:2018-11-16
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Plasmodium myosin A drives parasite invasion by an atypical force generating mechanism.
Nat Commun, 10, 2019
6I7E
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BU of 6i7e by Molmil
Plasmodium falciparum Myosin A, Pre-powerstroke
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-A, ...
Authors:Robert-Paganin, J, Auguin, D, Moussaoui, D, Jousset, G, Baum, J, Trybus, K.M, Houdusse, A.
Deposit date:2018-11-16
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.492 Å)
Cite:Plasmodium myosin A drives parasite invasion by an atypical force generating mechanism.
Nat Commun, 10, 2019
3Q2B
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BU of 3q2b by Molmil
Crystal Structure of an Actin Depolymerizing Factor
Descriptor: BETA-MERCAPTOETHANOL, Cofilin/actin-depolymerizing factor homolog 1, D(-)-TARTARIC ACID
Authors:Wong, W, Clarke, O.B, Gulbis, J.M, Baum, J.
Deposit date:2010-12-19
Release date:2011-06-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Minimal requirements for actin filament disassembly revealed by structural analysis of malaria parasite actin-depolymerizing factor 1
Proc.Natl.Acad.Sci.USA, 108, 2011
3J7A
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BU of 3j7a by Molmil
Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine, small subunit
Descriptor: 18S ribosomal RNA, 40S ribosomal protein eS1, 40S ribosomal protein eS10, ...
Authors:Wong, W, Bai, X.C, Brown, A, Fernandez, I.S, Hanssen, E, Condron, M, Tan, Y.H, Baum, J, Scheres, S.H.W.
Deposit date:2014-06-03
Release date:2014-07-16
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine.
Elife, 3, 2014
3J79
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BU of 3j79 by Molmil
Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine, large subunit
Descriptor: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Wong, W, Bai, X.C, Brown, A, Fernandez, I.S, Hanssen, E, Condron, M, Tan, Y.H, Baum, J, Scheres, S.H.W.
Deposit date:2014-06-02
Release date:2014-07-16
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine.
Elife, 3, 2014
2LRV
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BU of 2lrv by Molmil
Assignment of E coli periplasmic protein YmgD
Descriptor: Uncharacterized protein ymgD
Authors:Wu, K, Inouye, M, Baum, J, Hsu, S, Masuda, H.
Deposit date:2012-04-13
Release date:2013-04-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of homodimeric periplasmic protein YmgD in E. coli
To be Published
2LRM
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BU of 2lrm by Molmil
Assignment and structure of E coli periplasmic protein YmgD
Descriptor: Uncharacterized protein ymgD
Authors:Wu, K, Inouye, M, Baum, J, Hsu, S, Masuda, H.
Deposit date:2012-04-07
Release date:2013-04-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of homodimeric periplasmic protein YmgD in E. coli
To be Published
6AGT
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BU of 6agt by Molmil
Crystal structure of PfKRS complexed with chromone inhibitor
Descriptor: COBALT (II) ION, FORMIC ACID, LYSINE, ...
Authors:Yogavel, M, Sharma, A, Sharma, A, Baragana, B, Walpole, C.
Deposit date:2018-08-14
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5ELN
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BU of 5eln by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, LYSINE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-11-04
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc. Natl. Acad. Sci. U.S.A., 2019
5ELO
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BU of 5elo by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and cladosporin
Descriptor: 1,2-ETHANEDIOL, LYSINE, Lysine--tRNA ligase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-11-04
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc. Natl. Acad. Sci. U.S.A., 2019
6OKK
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BU of 6okk by Molmil
Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine, small subunit
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Wong, W, Scheres, S.H.W.
Deposit date:2019-04-13
Release date:2019-05-22
Last modified:2020-01-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine.
Elife, 3, 2014
7LXT
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BU of 7lxt by Molmil
Structure of Plasmodium falciparum 20S proteasome with bound bortezomib
Descriptor: 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ...
Authors:Morton, C.J, Metcalfe, R.D, Liu, B, Xie, S.C, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W.
Deposit date:2021-03-05
Release date:2021-09-22
Last modified:2022-04-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LXV
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BU of 7lxv by Molmil
Structure of human 20S proteasome with bound MPI-5
Descriptor: N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
Authors:Metcalfe, R.D, Morton, C.J, Liu, B, Xie, S.C, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W.
Deposit date:2021-03-05
Release date:2021-09-22
Last modified:2022-04-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LXU
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BU of 7lxu by Molmil
Structure of Plasmodium falciparum 20S proteasome with bound MPI-5
Descriptor: 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ...
Authors:Metcalfe, R.D, Morton, C.J, Xie, S.C, Liu, B, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W.
Deposit date:2021-03-05
Release date:2021-09-22
Last modified:2022-04-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome.
Proc.Natl.Acad.Sci.USA, 118, 2021
6HCU
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BU of 6hcu by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum bound to a difluoro cyclohexyl chromone ligand
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, HISTIDINE, ...
Authors:Tamjar, J, Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H.
Deposit date:2018-08-16
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6HCW
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BU of 6hcw by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and a difluoro cyclohexyl chromone ligand
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LYSINE, Lysine--tRNA ligase, ...
Authors:Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H.
Deposit date:2018-08-16
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6HCV
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BU of 6hcv by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with a chromone ligand
Descriptor: 6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide, Lysine--tRNA ligase
Authors:Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H.
Deposit date:2018-08-16
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6YCZ
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BU of 6ycz by Molmil
Plasmodium falciparum Myosin A delta-Nter, Post-Rigor state
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Moussaoui, D, Robblee, J.P, Auguin, D, Krementsova, E.B, Robert-Paganin, J, Trybus, K.M, Houdusse, A.
Deposit date:2020-03-19
Release date:2020-11-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Full-length Plasmodium falciparum myosin A and essential light chain PfELC structures provide new anti-malarial targets.
Elife, 9, 2020
6YCX
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BU of 6ycx by Molmil
Plasmodium falciparum Myosin A full-length, pre-powerstroke state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin A tail domain interacting protein, ...
Authors:Moussaoui, D, Robblee, J.P, Auguin, D, Krementsova, E.B, Robert-Paganin, J, Trybus, K.M, Houdusse, A.
Deposit date:2020-03-19
Release date:2020-11-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.99 Å)
Cite:Full-length Plasmodium falciparum myosin A and essential light chain PfELC structures provide new anti-malarial targets.
Elife, 9, 2020
6YCY
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BU of 6ycy by Molmil
Plasmodium falciparum Myosin A full-length, post-rigor state
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Moussaoui, D, Robblee, J.P, Auguin, D, Krementsova, E.B, Robert-Paganin, J, Trybus, K.M, Houdusse, A.
Deposit date:2020-03-19
Release date:2020-11-11
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Full-length Plasmodium falciparum myosin A and essential light chain PfELC structures provide new anti-malarial targets.
Elife, 9, 2020

 

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