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4K5P
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BU of 4k5p by Molmil
Phosphonic Arginine Mimetics as Inhibitors of the M1 Aminopeptidases from Plasmodium falciparum
分子名称: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
著者McGowan, S.
登録日2013-04-15
公開日2013-06-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthesis and Structure-Activity Relationships of Phosphonic Arginine Mimetics as Inhibitors of the M1 and M17 Aminopeptidases from Plasmodium falciparum.
J.Med.Chem., 56, 2013
4K5N
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BU of 4k5n by Molmil
Phosphonic Arginine Mimetics as Inhibitors of the M1 Aminopeptidases from Plasmodium falciparum
分子名称: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
著者McGowan, S.
登録日2013-04-15
公開日2013-06-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Synthesis and Structure-Activity Relationships of Phosphonic Arginine Mimetics as Inhibitors of the M1 and M17 Aminopeptidases from Plasmodium falciparum.
J.Med.Chem., 56, 2013
4K5M
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BU of 4k5m by Molmil
Phosphonic Arginine Mimetics as Inhibitors of the M1 Aminopeptidases from Plasmodium falciparum
分子名称: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
著者McGowan, S.
登録日2013-04-14
公開日2013-06-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Synthesis and Structure-Activity Relationships of Phosphonic Arginine Mimetics as Inhibitors of the M1 and M17 Aminopeptidases from Plasmodium falciparum.
J.Med.Chem., 56, 2013
4K5L
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BU of 4k5l by Molmil
Phosphonic Arginine Mimetics as Inhibitors of the M1 Aminopeptidases from Plasmodium falciparum
分子名称: M1 family aminopeptidase, MAGNESIUM ION, ZINC ION, ...
著者McGowan, S.
登録日2013-04-14
公開日2013-06-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Synthesis and Structure-Activity Relationships of Phosphonic Arginine Mimetics as Inhibitors of the M1 and M17 Aminopeptidases from Plasmodium falciparum.
J.Med.Chem., 56, 2013
4K5O
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BU of 4k5o by Molmil
Phosphonic Arginine Mimetics as Inhibitors of the M1 Aminopeptidases from Plasmodium falciparum
分子名称: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
著者McGowan, S.
登録日2013-04-15
公開日2013-06-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and Structure-Activity Relationships of Phosphonic Arginine Mimetics as Inhibitors of the M1 and M17 Aminopeptidases from Plasmodium falciparum.
J.Med.Chem., 56, 2013
4K3N
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BU of 4k3n by Molmil
Phosphonic Arginine Mimetics as Inhibitors of the M17 Aminopeptidases from Plasmodium falciparum
分子名称: CARBONATE ION, M17 leucyl aminopeptidase, NONAETHYLENE GLYCOL, ...
著者McGowan, S.
登録日2013-04-11
公開日2013-06-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis and Structure-Activity Relationships of Phosphonic Arginine Mimetics as Inhibitors of the M1 and M17 Aminopeptidases from Plasmodium falciparum.
J.Med.Chem., 56, 2013
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
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
分子名称: (2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2014-11-27
公開日2015-02-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
分子名称: (2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid, CARBONATE ION, M17 leucyl aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2014-11-27
公開日2015-02-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.729 Å)
主引用文献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
6EE3
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BU of 6ee3 by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6k) and catalytic zinc ion
分子名称: (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, ...
著者Drinkwater, N, McGowan, S.
登録日2018-08-13
公開日2018-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EED
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BU of 6eed by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6p) and catalytic zinc ion
分子名称: (2R)-2-[(cyclohexylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Drinkwater, N, McGowan, S.
登録日2018-08-13
公開日2018-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EA2
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BU of 6ea2 by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6h) and catalytic zinc ion
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2018-08-02
公開日2018-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EAB
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BU of 6eab by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6j) and catalytic zinc ion
分子名称: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
著者Drinkwater, N, McGowan, S.
登録日2018-08-02
公開日2018-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EAA
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BU of 6eaa by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6i) and catalytic zinc ion
分子名称: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
著者Drinkwater, N, McGowan, S.
登録日2018-08-02
公開日2018-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EEE
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BU of 6eee by Molmil
X-ray crystal structure of Pf-M17 in complex with inhibitor (6k) and regulatory zinc ion
分子名称: (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, ...
著者Drinkwater, N, McGowan, S.
登録日2018-08-13
公開日2018-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EA1
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BU of 6ea1 by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6da) and catalytic zinc ion
分子名称: (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, ...
著者Drinkwater, N, McGowan, S.
登録日2018-08-02
公開日2018-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.815 Å)
主引用文献Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EE4
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BU of 6ee4 by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6m) and catalytic zinc ion
分子名称: (2R)-2-[(cyclopropylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2018-08-13
公開日2018-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EE2
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BU of 6ee2 by Molmil
X-ray crystal structure of Pf-M17 in complex with inhibitor 6i and regulatory zinc ion
分子名称: 1,2-ETHANEDIOL, CARBONATE ION, DIMETHYL SULFOXIDE, ...
著者Drinkwater, N, McGowan, S.
登録日2018-08-13
公開日2018-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EE6
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BU of 6ee6 by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6o) and catalytic zinc ion
分子名称: (2R)-2-[(cyclopentylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2018-08-13
公開日2018-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
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
6WVV
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BU of 6wvv by Molmil
Plasmodium vivax M17 leucyl aminopeptidase
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, M17 leucyl aminopeptidase, ...
著者Malcolm, T.R, Drinkwater, N, McGowan, S.
登録日2020-05-07
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Active site metals mediate an oligomeric equilibrium in Plasmodium M17 aminopeptidases.
J.Biol.Chem., 296, 2020
4R5V
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BU of 4r5v by Molmil
Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
分子名称: GLYCEROL, M1 family aminopeptidase, N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}-2,2-dimethylpropanamide, ...
著者Drinkwater, N, Mcgowan, S.
登録日2014-08-22
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
4R7M
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BU of 4r7m by Molmil
Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
分子名称: 4-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, CARBONATE ION, DIMETHYL SULFOXIDE, ...
著者Drinkwater, N, Mcgowan, S.
登録日2014-08-28
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
6EE5
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BU of 6ee5 by Molmil
Reactive centre loop dynamics and serpin specificity
分子名称: Conserpin-AATRCL
著者Marijanovic, E.M, Porebski, B.T, McGowan, S, Buckle, A.M.
登録日2018-08-13
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Reactive centre loop dynamics and serpin specificity.
Sci Rep, 9, 2019

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件を2024-08-28に公開中

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