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3FUP
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BU of 3fup by Molmil
Crystal structures of JAK1 and JAK2 inhibitor complexes
Descriptor: 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Tyrosine-protein kinase JAK2
Authors:Williams, N.K, Bamert, R.S, Patel, O, Fantino, E, Rossjohn, J, Lucet, I.S.
Deposit date:2009-01-14
Release date:2009-02-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains.
J.Mol.Biol., 387, 2009
7LZJ
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BU of 7lzj by Molmil
DpK2 bacteriophage tail spike depolymerase
Descriptor: Depolymerase
Authors:Belousoff, M.J, Bamert, R.S, Dunstan, R.A, Lithgow, T.
Deposit date:2021-03-10
Release date:2021-08-25
Last modified:2021-09-15
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Mechanistic Insights into the Capsule-Targeting Depolymerase from a Klebsiella pneumoniae Bacteriophage.
Microbiol Spectr, 9, 2021
6DDD
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BU of 6ddd by Molmil
Structure of the 50S ribosomal subunit from Methicillin Resistant Staphylococcus aureus in complex with the oxazolidinone antibiotic LZD-5
Descriptor: 2,2-dichloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide, 23S rRNA, 50S ribosomal protein L13, ...
Authors:Belousoff, M.J, Venugopal, H, Bamert, R.S, Lithgow, T.
Deposit date:2018-05-10
Release date:2019-03-20
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:cryoEM-Guided Development of Antibiotics for Drug-Resistant Bacteria.
ChemMedChem, 14, 2019
6DDG
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BU of 6ddg by Molmil
Structure of the 50S ribosomal subunit from Methicillin Resistant Staphylococcus aureus in complex with the oxazolidinone antibiotic LZD-6
Descriptor: 2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide, 23S rRNA, 50S ribosomal protein L13, ...
Authors:Belousoff, M.J, Venugopal, H, Bamert, R.S, Lithgow, T.
Deposit date:2018-05-10
Release date:2019-03-20
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:cryoEM-Guided Development of Antibiotics for Drug-Resistant Bacteria.
ChemMedChem, 14, 2019
3EYH
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BU of 3eyh by Molmil
Crystal structures of JAK1 and JAK2 inhibitor complexes
Descriptor: 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Tyrosine-protein kinase
Authors:Williams, N.K, Bamert, R.S, Patell, O, Wang, C, Walden, P.M, Fantino, E.
Deposit date:2008-10-20
Release date:2009-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains.
J.Mol.Biol., 387, 2009
3EYG
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BU of 3eyg by Molmil
Crystal structures of JAK1 and JAK2 inhibitor complexes
Descriptor: 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Tyrosine-protein kinase
Authors:Williams, N.K, Bamert, R.S, Patell, O, Wang, C, Walden, P.M, Fantino, E.
Deposit date:2008-10-20
Release date:2009-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains.
J.Mol.Biol., 387, 2009
5W68
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BU of 5w68 by Molmil
Type II secretin from Enteropathogenic Escherichia coli - GspD
Descriptor: Putative type II secretion protein
Authors:Hay, I.D, Belousoff, M.J, Dunstan, R, Bamert, R, Lithgow, T.
Deposit date:2017-06-16
Release date:2017-11-15
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure and Membrane Topography of the Vibrio-Type Secretin Complex from the Type 2 Secretion System of Enteropathogenic Escherichia coli.
J. Bacteriol., 200, 2018
5CBM
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BU of 5cbm by Molmil
Crystal structure of PfA-M17 with virtual ligand inhibitor
Descriptor: (2S)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid, CARBONATE ION, GLYCEROL, ...
Authors:Ruggeri, C, Drinkwater, N, McGowan, S.
Deposit date:2015-07-01
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and Validation of a Potent Dual Inhibitor of the P. falciparum M1 and M17 Aminopeptidases Using Virtual Screening.
Plos One, 10, 2015
7TTU
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BU of 7ttu by Molmil
50S ribosomal subunit from Staphylococcus aureus (Strain ATCC43300)
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Belousoff, M.J, Piper, S, Johnson, R.
Deposit date:2022-02-01
Release date:2022-07-06
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A Structurally Characterized Staphylococcus aureus Evolutionary Escape Route from Treatment with the Antibiotic Linezolid.
Microbiol Spectr, 10, 2022
7TTW
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BU of 7ttw by Molmil
50S ribosomal subunit from Staphylococcus aureus containing double mutation in uL3 imparting linezolid resistance
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Belousoff, M.J, Piper, S, Johnson, R.
Deposit date:2022-02-02
Release date:2022-07-06
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:A Structurally Characterized Staphylococcus aureus Evolutionary Escape Route from Treatment with the Antibiotic Linezolid.
Microbiol Spectr, 10, 2022
5JQK
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BU of 5jqk by Molmil
The Xray Crystal Structure of P. falciparum Aminopeptidase P
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, Peptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2016-05-05
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure and substrate fingerprint of aminopeptidase P from Plasmodium falciparum.
Biochem.J., 473, 2016
5JR6
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BU of 5jr6 by Molmil
The Xray Crystal Structure of P. falciparum Aminopeptidase P in Complex With Apstatin
Descriptor: Apstatin, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2016-05-05
Release date:2016-08-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and substrate fingerprint of aminopeptidase P from Plasmodium falciparum.
Biochem.J., 473, 2016
5T7V
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BU of 5t7v by Molmil
Methicillin Resistant, Linezolid resistant Staphylococcus aureus 70S ribosome (delta S145 uL3)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Belousoff, M.J, Lithgow, T, Eyal, Z, Yonath, A, Radjainia, M.
Deposit date:2016-09-06
Release date:2017-05-31
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural Basis for Linezolid Binding Site Rearrangement in theStaphylococcus aureusRibosome.
MBio, 8, 2017
5TCU
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BU of 5tcu by Molmil
Methicillin sensitive Staphylococcus aureus 70S ribosome
Descriptor: 16S RRNA, 23S RRNA, 30S ribosomal protein S10, ...
Authors:Eyal, Z, Ahmed, T, Belousoff, N, Mishra, S, Matzov, D, Bashan, A, Zimmerman, E, Lithgow, T, Bhushan, S, Yonath, A.
Deposit date:2016-09-15
Release date:2017-05-24
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural Basis for Linezolid Binding Site Rearrangement in the Staphylococcus aureus Ribosome.
MBio, 8, 2017
4X2U
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BU of 4x2u by Molmil
X-ray crystal structure of the orally available aminopeptidase inhibitor, Tosedostat, bound to the M1 Alanyl Aminopeptidase from P. falciparum
Descriptor: (2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2014-11-27
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray crystal structures of an orally available aminopeptidase inhibitor, Tosedostat, bound to anti-malarial drug targets PfA-M1 and PfA-M17.
Proteins, 83, 2015
4X2T
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BU of 4x2t by Molmil
X-ray crystal structure of the orally available aminopeptidase inhibitor, Tosedostat, bound to the M17 Leucyl Aminopeptidase from P. falciparum
Descriptor: (2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid, CARBONATE ION, M17 leucyl aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2014-11-27
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.729 Å)
Cite:X-ray crystal structures of an orally available aminopeptidase inhibitor, Tosedostat, bound to anti-malarial drug targets PfA-M1 and PfA-M17.
Proteins, 83, 2015
4ZQT
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BU of 4zqt by Molmil
Crystal structure of PfA-M1 with virtual ligand inhibitor
Descriptor: (2R)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid, GLYCEROL, M1 family aminopeptidase, ...
Authors:Ruggeri, C, Drinkwater, N, McGowan, S.
Deposit date:2015-05-11
Release date:2015-10-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Identification and Validation of a Potent Dual Inhibitor of the P. falciparum M1 and M17 Aminopeptidases Using Virtual Screening.
Plos One, 10, 2015
4ZW5
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BU of 4zw5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9f
Descriptor: M1 family aminopeptidase, MAGNESIUM ION, ZINC ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX5
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BU of 4zx5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10q
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZW6
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BU of 4zw6 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9q
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZW3
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BU of 4zw3 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9b
Descriptor: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX4
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BU of 4zx4 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10o
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX8
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BU of 4zx8 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 9b
Descriptor: CARBONATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZW8
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BU of 4zw8 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9r
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZY0
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BU of 4zy0 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10q
Descriptor: CARBONATE ION, GLYCEROL, N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-21
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016

 

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