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5MOI
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BU of 5moi by Molmil
Crystal structure of human IgE-Fc epsilon 3-4
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ig epsilon chain C region, ...
著者Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, McDonnell, J.M, Sutton, B.J.
登録日2016-12-14
公開日2018-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
5MOJ
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BU of 5moj by Molmil
Crystal structure of IgE-Fc epsilon 3-4
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ig epsilon chain C region, ...
著者Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, MacDonnell, J.M, Sutton, B.J.
登録日2016-12-14
公開日2018-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
5MOL
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BU of 5mol by Molmil
Human IgE-Fc crystal structure
分子名称: 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, 2-(2-METHOXYETHOXY)ETHANOL, ...
著者Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, McDonnell, J.M, Sutton, B.J.
登録日2016-12-14
公開日2018-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
5MOK
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BU of 5mok by Molmil
Crystal structure of human IgE-Fc epsilon 3-4
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ig epsilon chain C region, ...
著者Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, McDonnell, J.M, Sutton, B.J.
登録日2016-12-14
公開日2018-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
5TBD
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BU of 5tbd by Molmil
Crystal Structure of anti-MSP2 Fv fragment (mAb4D11) in complex with 3D7-MSP2 215-222
分子名称: Fv fragment (mAb4D1) heavy chain, Merozoite surface protein 2
著者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.
登録日2016-09-12
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Characterisation of a Key Epitope in the Conserved C-Terminal Domain of the Malaria Vaccine Candidate MSP2.
J. Mol. Biol., 429, 2017
5TZB
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BU of 5tzb by Molmil
Burkholderia sp. beta-aminopeptidase
分子名称: CALCIUM ION, D-aminopeptidase
著者McGowan, S, Drinkwater, N, John, M, Dumsday, G.
登録日2016-11-21
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.977 Å)
主引用文献Crystal structure of a beta-aminopeptidase from an Australian Burkholderia sp.
Acta Crystallogr F Struct Biol Commun, 73, 2017
4QXT
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BU of 4qxt by Molmil
Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with FC27-MSP2 14-30
分子名称: Fv fragment(mAb6D8) heavy chain, Fv fragment(mAb6D8) light chain, Merozoite surface antigen 2
著者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.
登録日2014-07-22
公開日2015-06-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate.
Sci Rep, 5, 2015
7KWW
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BU of 7kww by Molmil
X-ray Crystal Structure of PlyCB Mutant K59H
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, PlyCB
著者Williams, D.E, Broendum, S.S, Hayes, B.K, Drinkwater, N, McGowan, S.
登録日2020-12-02
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
7KWY
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BU of 7kwy by Molmil
X-ray Crystal Structure of PlyCB Mutant R66K
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, PlyCB
著者Williams, D.E, Broendum, S.S, Hayes, B.K, Drinkwater, N, McGowan, S.
登録日2020-12-02
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
7KWT
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BU of 7kwt by Molmil
X-ray Crystal Structure of PlyCB Mutant Y28H
分子名称: PlyCB
著者Williams, D.E, Broendum, S.S, Hayes, B.K, Drinkwater, N, McGowan, S.
登録日2020-12-02
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献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
8SW9
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BU of 8sw9 by Molmil
Plasmodium falciparum M17 (A460S) mutant
分子名称: CARBONATE ION, Leucine aminopeptidase, PENTAETHYLENE GLYCOL, ...
著者McGowan, S, Suraweera, C, Drinkwater, N.
登録日2023-05-17
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Characterisation of a novel antimalarial agent targeting haemaglobin digestion that shows cross-species reactivity and excellent in vivo properties.
Mbio, 2024
8SVL
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BU of 8svl by Molmil
Plasmodium falciparum M1 aminopeptidase bound to MMV1557817
分子名称: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
著者McGowan, S, Drinkwater, N.
登録日2023-05-17
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.504 Å)
主引用文献Characterisation of a novel antimalarial agent targeting haemaglobin digestion that shows cross-species reactivity and excellent in vivo properties.
Mbio, 2024
8SVM
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BU of 8svm by Molmil
Plasmodium falciparum M17 aminopeptidase bound to MMV1557817
分子名称: CARBONATE ION, Leucine aminopeptidase, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-3,3-dimethylbutanamide, ...
著者McGowan, S, Drinkwater, N.
登録日2023-05-17
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterisation of a novel antimalarial agent targeting haemaglobin digestion that shows cross-species reactivity and excellent in vivo properties.
Mbio, 2024
8T7P
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BU of 8t7p by Molmil
X-ray crystal structure of PfA-M1(M462S)
分子名称: Aminopeptidase N, GLYCEROL, MAGNESIUM ION, ...
著者Yang, W, Drinkwater, N, Webb, C.T, McGowan, S.
登録日2023-06-21
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational dynamics of the Plasmodium falciparum M1 aminopeptidase.
To Be Published
8T83
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BU of 8t83 by Molmil
X-ray crystal structure of PfA-M1(M462K)
分子名称: Aminopeptidase N, GLYCEROL, ZINC ION
著者Yang, W, Drinkwater, N, Webb, C.T, McGowan, S.
登録日2023-06-21
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational dynamics of the Plasmodium falciparum M1 aminopeptidase.
To Be Published
4ZQT
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BU of 4zqt by Molmil
Crystal structure of PfA-M1 with virtual ligand inhibitor
分子名称: (2R)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid, GLYCEROL, M1 family aminopeptidase, ...
著者Ruggeri, C, Drinkwater, N, McGowan, S.
登録日2015-05-11
公開日2015-10-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Identification and Validation of a Potent Dual Inhibitor of the P. falciparum M1 and M17 Aminopeptidases Using Virtual Screening.
Plos One, 10, 2015
5CBM
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BU of 5cbm by Molmil
Crystal structure of PfA-M17 with virtual ligand inhibitor
分子名称: (2S)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid, CARBONATE ION, GLYCEROL, ...
著者Ruggeri, C, Drinkwater, N, McGowan, S.
登録日2015-07-01
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and Validation of a Potent Dual Inhibitor of the P. falciparum M1 and M17 Aminopeptidases Using Virtual Screening.
Plos One, 10, 2015
4DM3
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BU of 4dm3 by Molmil
Crystal structure of human PNMT in complex adohcy, resorcinol and imidazole
分子名称: IMIDAZOLE, Phenylethanolamine N-methyltransferase, RESORCINOL, ...
著者Nair, P.C, Malde, A.K, Mark, A.E.
登録日2012-02-06
公開日2012-04-25
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.4001 Å)
主引用文献Missing fragments: detecting cooperative binding in fragment-based drug design.
ACS Med Chem Lett, 3, 2012
7T3V
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BU of 7t3v by Molmil
Metal dependent activation of Plasmodium falciparum M17 aminopeptidase, spacegroup P22121 after crystals soaked with Zn2+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CARBONATE ION, M17 leucyl aminopeptidase, ...
著者Webb, C.T, McGowan, S.
登録日2021-12-08
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A metal ion-dependent conformational switch modulates activity of the Plasmodium M17 aminopeptidase.
J.Biol.Chem., 298, 2022
7SRV
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BU of 7srv by Molmil
Metal dependent activation of Plasmodium falciparum M17 aminopeptidase (inactive form), spacegroup P22121
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Webb, C.T, McGowan, S.
登録日2021-11-08
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献A metal ion-dependent conformational switch modulates activity of the Plasmodium M17 aminopeptidase.
J.Biol.Chem., 298, 2022
8EX3
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BU of 8ex3 by Molmil
Plasmodium falciparum M1 in complex with inhibitor 9aa
分子名称: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
著者Calic, P.P.S, McGowan, S, Webb, C.T.
登録日2022-10-24
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
8EYE
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BU of 8eye by Molmil
Plasmodium falciparum M1 in complex with inhibitor 9aj
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Calic, P.P.S, McGowan, S, Webb, C.T.
登録日2022-10-26
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献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
8EYD
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BU of 8eyd by Molmil
Plasmodium falciparum M1 in complex with inhibitor 15ah
分子名称: GLYCEROL, M1 family aminopeptidase, N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide, ...
著者Calic, P.P.S, McGowan, S, Webb, C.T.
登録日2022-10-26
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献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
8EWZ
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BU of 8ewz by Molmil
Plasmodium falciparum M1 in complex with inhibitor 9c
分子名称: (2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Calic, P.P.S, McGowan, S, Webb, C.T.
登録日2022-10-24
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
8EYF
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BU of 8eyf by Molmil
Plasmodium falciparum M1 in complex with inhibitor 15aa
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Calic, P.P.S, McGowan, S, Webb, C.T.
登録日2022-10-26
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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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