5MOI
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![BU of 5moi by Molmil](/molmil-images/mine/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
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![BU of 5moj by Molmil](/molmil-images/mine/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
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![BU of 5mol by Molmil](/molmil-images/mine/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
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![BU of 5mok by Molmil](/molmil-images/mine/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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5TBD
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![BU of 5tbd by Molmil](/molmil-images/mine/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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5TZB
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![BU of 5tzb by Molmil](/molmil-images/mine/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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4QXT
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![BU of 4qxt by Molmil](/molmil-images/mine/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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7KWW
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![BU of 7kww by Molmil](/molmil-images/mine/7kww) | X-ray Crystal Structure of PlyCB Mutant K59H | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, PlyCB | Authors: | Williams, D.E, Broendum, S.S, Hayes, B.K, Drinkwater, N, McGowan, S. | Deposit date: | 2020-12-02 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High avidity drives the interaction between the streptococcal C1 phage endolysin, PlyC, with the cell surface carbohydrates of Group A Streptococcus. Mol.Microbiol., 116, 2021
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7KWY
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![BU of 7kwy by Molmil](/molmil-images/mine/7kwy) | X-ray Crystal Structure of PlyCB Mutant R66K | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, PlyCB | Authors: | Williams, D.E, Broendum, S.S, Hayes, B.K, Drinkwater, N, McGowan, S. | Deposit date: | 2020-12-02 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | High avidity drives the interaction between the streptococcal C1 phage endolysin, PlyC, with the cell surface carbohydrates of Group A Streptococcus. Mol.Microbiol., 116, 2021
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7KWT
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![BU of 7kwt by Molmil](/molmil-images/mine/7kwt) | X-ray Crystal Structure of PlyCB Mutant Y28H | Descriptor: | PlyCB | Authors: | Williams, D.E, Broendum, S.S, Hayes, B.K, Drinkwater, N, McGowan, S. | Deposit date: | 2020-12-02 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | High avidity drives the interaction between the streptococcal C1 phage endolysin, PlyC, with the cell surface carbohydrates of Group A Streptococcus. Mol.Microbiol., 116, 2021
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8SW9
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![BU of 8sw9 by Molmil](/molmil-images/mine/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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8SVL
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![BU of 8svl by Molmil](/molmil-images/mine/8svl) | |
8SVM
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![BU of 8svm by Molmil](/molmil-images/mine/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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8T7P
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![BU of 8t7p by Molmil](/molmil-images/mine/8t7p) | X-ray crystal structure of PfA-M1(M462S) | Descriptor: | Aminopeptidase N, GLYCEROL, MAGNESIUM ION, ... | Authors: | Yang, W, Drinkwater, N, Webb, C.T, McGowan, S. | Deposit date: | 2023-06-21 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational dynamics of the Plasmodium falciparum M1 aminopeptidase. To Be Published
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8T83
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![BU of 8t83 by Molmil](/molmil-images/mine/8t83) | |
4ZQT
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![BU of 4zqt by Molmil](/molmil-images/mine/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
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![BU of 5cbm by Molmil](/molmil-images/mine/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
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![BU of 4dm3 by Molmil](/molmil-images/mine/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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7T3V
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![BU of 7t3v by Molmil](/molmil-images/mine/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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7SRV
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![BU of 7srv by Molmil](/molmil-images/mine/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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8EX3
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![BU of 8ex3 by Molmil](/molmil-images/mine/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
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![BU of 8eye by Molmil](/molmil-images/mine/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
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![BU of 8eyd by Molmil](/molmil-images/mine/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
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![BU of 8ewz by Molmil](/molmil-images/mine/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
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![BU of 8eyf by Molmil](/molmil-images/mine/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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