4K5N
 
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4K5L
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4K5M
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7SRV
 | | Metal dependent activation of Plasmodium falciparum M17 aminopeptidase (inactive form), spacegroup P22121 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Webb, C.T, McGowan, S. | | Deposit date: | 2021-11-08 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | A metal ion-dependent conformational switch modulates activity of the Plasmodium M17 aminopeptidase.
J.Biol.Chem., 298, 2022
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7T3V
 | | Metal dependent activation of Plasmodium falciparum M17 aminopeptidase, spacegroup P22121 after crystals soaked with Zn2+ | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CARBONATE ION, M17 leucyl aminopeptidase, ... | | Authors: | Webb, C.T, McGowan, S. | | Deposit date: | 2021-12-08 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A metal ion-dependent conformational switch modulates activity of the Plasmodium M17 aminopeptidase.
J.Biol.Chem., 298, 2022
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6EEE
 | | X-ray crystal structure of Pf-M17 in complex with inhibitor (6k) and regulatory zinc ion | | Descriptor: | (1R,2r,3S,5R,7R)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide, 1,2-ETHANEDIOL, CARBONATE ION, ... | | Authors: | Drinkwater, N, McGowan, S. | | Deposit date: | 2018-08-13 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
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4X2T
 | | 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
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5TBD
 | | Crystal Structure of anti-MSP2 Fv fragment (mAb4D11) in complex with 3D7-MSP2 215-222 | | Descriptor: | Fv fragment (mAb4D1) heavy chain, Merozoite surface protein 2 | | Authors: | Seow, J, Morales, R.A.V, MacRaild, C.A, Bankala, K, Drinkwater, N, Dingjan, T, Jaipuria, G, Wilde, K, Anders, R.F, Atreya, H.S, Christ, D, McGowan, S, Norton, R.S. | | Deposit date: | 2016-09-12 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Characterisation of a Key Epitope in the Conserved C-Terminal Domain of the Malaria Vaccine Candidate MSP2.
J. Mol. Biol., 429, 2017
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6EE3
 | | X-ray crystal structure of Pf-M1 in complex with inhibitor (6k) and catalytic zinc ion | | Descriptor: | (1R,2r,3S,5R,7R)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide, GLYCEROL, M1 family aminopeptidase, ... | | Authors: | Drinkwater, N, McGowan, S. | | Deposit date: | 2018-08-13 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
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6EED
 | | X-ray crystal structure of Pf-M1 in complex with inhibitor (6p) and catalytic zinc ion | | Descriptor: | (2R)-2-[(cyclohexylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Drinkwater, N, McGowan, S. | | Deposit date: | 2018-08-13 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
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6EA2
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6EAB
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6EAA
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6EA1
 | | X-ray crystal structure of Pf-M1 in complex with inhibitor (6da) and catalytic zinc ion | | Descriptor: | (2R)-2,3,3,3-tetrafluoro-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide, GLYCEROL, M1 family aminopeptidase, ... | | Authors: | Drinkwater, N, McGowan, S. | | Deposit date: | 2018-08-02 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.815 Å) | | Cite: | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
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4WVM
 | | Stonustoxin structure | | Descriptor: | Stonustoxin subunit alpha, Stonustoxin subunit beta | | Authors: | Ellisdon, A.M, Panjikar, S, Whisstock, J.C, McGowan, S. | | Deposit date: | 2014-11-06 | | Release date: | 2015-12-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Stonefish toxin defines an ancient branch of the perforin-like superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4X2U
 | | 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
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2DUT
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5JQK
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5JR6
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8EZ4
 | | Plasmodium falciparum M17 in complex with inhibitor 9aa | | Descriptor: | CARBONATE ION, M17 leucyl aminopeptidase, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide, ... | | Authors: | Calic, P.P.S, McGowan, S, Webb, C.T. | | Deposit date: | 2022-10-31 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
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8EZ2
 | | Plasmodium falciparum M1 in complex with inhibitor 15ag | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ... | | Authors: | Calic, P.P.S, McGowan, S, Webb, C.T. | | Deposit date: | 2022-10-31 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
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8EYE
 | | Plasmodium falciparum M1 in complex with inhibitor 9aj | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ... | | Authors: | Calic, P.P.S, McGowan, S, Webb, C.T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
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8EYF
 | | Plasmodium falciparum M1 in complex with inhibitor 15aa | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ... | | Authors: | Calic, P.P.S, McGowan, S, Webb, C.T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
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8EWZ
 | | Plasmodium falciparum M1 in complex with inhibitor 9c | | Descriptor: | (2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Calic, P.P.S, McGowan, S, Webb, C.T. | | Deposit date: | 2022-10-24 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
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6WVV
 | | Plasmodium vivax M17 leucyl aminopeptidase | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, M17 leucyl aminopeptidase, ... | | Authors: | Malcolm, T.R, Drinkwater, N, McGowan, S. | | Deposit date: | 2020-05-07 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Active site metals mediate an oligomeric equilibrium in Plasmodium M17 aminopeptidases.
J.Biol.Chem., 296, 2020
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