8SVL
 
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8SVM
 | | Plasmodium falciparum M17 aminopeptidase bound to MMV1557817 | | Descriptor: | CARBONATE ION, Leucine aminopeptidase, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-3,3-dimethylbutanamide, ... | | Authors: | McGowan, S, Drinkwater, N. | | Deposit date: | 2023-05-17 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Characterisation of a novel antimalarial agent targeting haemaglobin digestion that shows cross-species reactivity and excellent in vivo properties.
Mbio, 2024
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8SW9
 | | Plasmodium falciparum M17 (A460S) mutant | | Descriptor: | CARBONATE ION, Leucine aminopeptidase, PENTAETHYLENE GLYCOL, ... | | Authors: | McGowan, S, Suraweera, C, Drinkwater, N. | | Deposit date: | 2023-05-17 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Characterisation of a novel antimalarial agent targeting haemaglobin digestion that shows cross-species reactivity and excellent in vivo properties.
Mbio, 2024
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5TZB
 | | Burkholderia sp. beta-aminopeptidase | | Descriptor: | CALCIUM ION, D-aminopeptidase | | Authors: | McGowan, S, Drinkwater, N, John, M, Dumsday, G. | | Deposit date: | 2016-11-21 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.977 Å) | | Cite: | Crystal structure of a beta-aminopeptidase from an Australian Burkholderia sp.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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5KYO
 | | Crystal Structure of CYP101J2 | | Descriptor: | CYP101J2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Unterweger, B, Drinkwater, N, Dumsday, G.J, McGowan, S. | | Deposit date: | 2016-07-22 | | Release date: | 2017-01-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystal structure of cytochrome P450 monooxygenase CYP101J2 from Sphingobium yanoikuyae strain B2.
Proteins, 85, 2017
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5MOI
 | | Crystal structure of human IgE-Fc epsilon 3-4 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ig epsilon chain C region, ... | | Authors: | Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, McDonnell, J.M, Sutton, B.J. | | Deposit date: | 2016-12-14 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
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5MOJ
 | | Crystal structure of IgE-Fc epsilon 3-4 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ig epsilon chain C region, ... | | Authors: | Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, MacDonnell, J.M, Sutton, B.J. | | Deposit date: | 2016-12-14 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
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5MOL
 | | Human IgE-Fc crystal structure | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, 2-(2-METHOXYETHOXY)ETHANOL, ... | | Authors: | Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, McDonnell, J.M, Sutton, B.J. | | Deposit date: | 2016-12-14 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
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5MOK
 | | Crystal structure of human IgE-Fc epsilon 3-4 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ig epsilon chain C region, ... | | Authors: | Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, McDonnell, J.M, Sutton, B.J. | | Deposit date: | 2016-12-14 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
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4QXT
 | | Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with FC27-MSP2 14-30 | | Descriptor: | Fv fragment(mAb6D8) heavy chain, Fv fragment(mAb6D8) light chain, Merozoite surface antigen 2 | | Authors: | Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S. | | Deposit date: | 2014-07-22 | | Release date: | 2015-06-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate.
Sci Rep, 5, 2015
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4QY8
 | | Crystal Structure of anti-MSP2 Fv fragment (mAb6D8) in complex with 3D7-MSP2 14-30 | | Descriptor: | Fv fragment(mAb6D8) heavy chain, Fv fragment(mAb6D8) light chain, Merozoite surface antigen 2 | | Authors: | Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S. | | Deposit date: | 2014-07-24 | | Release date: | 2015-06-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.353 Å) | | Cite: | Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate.
Sci Rep, 5, 2015
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4R3S
 | | Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with MSP2 11-23 | | Descriptor: | FV FRAGMENT(MAB6D8) HEAVY CHAIN, FV FRAGMENT(MAB6D8) LIGHT CHAIN, Merozoite surface protein | | Authors: | Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S. | | Deposit date: | 2014-08-18 | | Release date: | 2015-06-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate
Sci Rep, 5, 2015
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4QYO
 | | Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with MSP2 14-22 | | Descriptor: | Fv fragment(mAb6D8) heavy chain, Fv fragment(mAb6D8) light chain, Merozoite surface antigen 2 | | Authors: | Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S. | | Deposit date: | 2014-07-24 | | Release date: | 2015-06-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.208 Å) | | Cite: | Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate.
Sci Rep, 5, 2015
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4ZQT
 | | 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
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5CBM
 | | 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
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4DM3
 | | Crystal structure of human PNMT in complex adohcy, resorcinol and imidazole | | Descriptor: | IMIDAZOLE, Phenylethanolamine N-methyltransferase, RESORCINOL, ... | | Authors: | Nair, P.C, Malde, A.K, Mark, A.E. | | Deposit date: | 2012-02-06 | | Release date: | 2012-04-25 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.4001 Å) | | Cite: | Missing fragments: detecting cooperative binding in fragment-based drug design.
ACS Med Chem Lett, 3, 2012
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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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7K5K
 | | Plasmodium vivax M17 leucyl aminopeptidase Pv-M17 | | Descriptor: | CARBONATE ION, M17 leucyl aminopeptidase, putative, ... | | Authors: | Malcolm, T.R, McGowan, S, Belousoff, M.J. | | Deposit date: | 2020-09-17 | | Release date: | 2020-12-16 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Active site metals mediate an oligomeric equilibrium in Plasmodium M17 aminopeptidases.
J.Biol.Chem., 296, 2020
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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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8EX3
 | | Plasmodium falciparum M1 in complex with inhibitor 9aa | | Descriptor: | GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ... | | 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 (1.6 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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8EYD
 | | Plasmodium falciparum M1 in complex with inhibitor 15ah | | Descriptor: | GLYCEROL, M1 family aminopeptidase, N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide, ... | | 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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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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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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