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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
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
6ENC
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BU of 6enc by Molmil
LTA4 hydrolase in complex with Compound11
分子名称: 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid, ACETATE ION, IMIDAZOLE, ...
著者Srinivas, H.
登録日2017-10-04
公開日2017-12-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Feasibility and physiological relevance of designing highly potent aminopeptidase-sparing leukotriene A4 hydrolase inhibitors.
Sci Rep, 7, 2017
6END
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BU of 6end by Molmil
LTA4 hydrolase in complex with Compound15
分子名称: 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde, ACETATE ION, IMIDAZOLE, ...
著者Srinivas, H.
登録日2017-10-04
公開日2017-12-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Feasibility and physiological relevance of designing highly potent aminopeptidase-sparing leukotriene A4 hydrolase inhibitors.
Sci Rep, 7, 2017
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
6EA4
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BU of 6ea4 by Molmil
ERAP2 bound to Aryl Sulfonamide Uncompetitive Inhibitor
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Maben, Z, Stern, L.J.
登録日2018-08-02
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of human ER aminopeptidase 1 bound to aryl sulfonamide inhibitor.
To Be Published
4ZX5
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BU of 4zx5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10q
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZW5
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BU of 4zw5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9f
分子名称: M1 family aminopeptidase, MAGNESIUM ION, ZINC ION, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-19
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZW6
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BU of 4zw6 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9q
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-19
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZW3
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BU of 4zw3 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9b
分子名称: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-19
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX4
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BU of 4zx4 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10o
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZW7
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BU of 4zw7 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9m
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-19
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
5AB0
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BU of 5ab0 by Molmil
Crystal structure of aminopeptidase ERAP2 with ligand
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mpakali, A, Giastas, P, Saridakis, E, Stratikos, E.
登録日2015-07-31
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Antigenic Peptide Recognition and Processing by Endoplasmic Reticulum (Er) Aminopeptidase 2.
J.Biol.Chem., 290, 2015
4ZW8
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BU of 4zw8 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9r
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-19
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX6
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BU of 4zx6 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10s
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
5AEN
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BU of 5aen by Molmil
Structure of human Leukotriene A4 hydrolase in complex with inhibitor dimethyl(2- (4-phenoxyphenoxy)ethyl)amine
分子名称: IMIDAZOLE, LEUKOTRIENE A-4 HYDROLASE, N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine, ...
著者Moser, D, Wittmann, S.K, Kramer, J, Blocher, R, Achenbach, J, Pogoryelov, D, Proschak, E.
登録日2015-01-06
公開日2015-02-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.864 Å)
主引用文献Peng: A Neural Gas-Based Approach for Pharmacophore Elucidation. Method Design, Validation and Virtual Screening for Novel Ligands of Lta4H.
J.Chem.Inf.Model., 55, 2015
5AB2
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BU of 5ab2 by Molmil
Crystal structure of aminopeptidase ERAP2 with ligand
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mpakali, A, Giastas, P, Saridakis, E, Mavridis, I.M, Stratikos, E.
登録日2015-07-31
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.729 Å)
主引用文献Structural Basis for Antigenic Peptide Recognition and Processing by Endoplasmic Reticulum (Er) Aminopeptidase 2.
J.Biol.Chem., 290, 2015
4Q4I
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BU of 4q4i by Molmil
Crystal structure of E.coli aminopeptidase N in complex with amastatin
分子名称: Amastatin, Aminopeptidase N, GLYCEROL, ...
著者Reddi, R, Ganji, R.J, Addlagatta, A.
登録日2014-04-14
公開日2015-04-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural basis for the inhibition of M1 family aminopeptidases by the natural product actinonin: Crystal structure in complex with E. coli aminopeptidase N.
Protein Sci., 24, 2015
4PW4
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BU of 4pw4 by Molmil
Crystal structure of Aminopeptidase N in complex with phosphonic acid analogue of homophenylalanine L-(R)-hPheP
分子名称: Aminopeptidase N, GLYCEROL, IMIDAZOLE, ...
著者Nocek, B, Mulligan, R, Vassiliou, S, Berlicki, L, Mucha, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-03-18
公開日2014-06-25
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of Aminopeptidase N in complex with phosphonic analogs of homophenylalanine
TO BE PUBLISHED
4QIR
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BU of 4qir by Molmil
Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-2-(pyridin-3-yl)ethylGlyP[CH2]Phe
分子名称: 3-{[(R)-1-amino-3-(pyridin-3-yl)propyl](hydroxy)phosphoryl}-(S)-2-benzylpropanoic acid, Aminopeptidase N, GLYCEROL, ...
著者Nocek, B, Joachimiak, A, Berlicki, L, Vassiliou, S, Mucha, A.
登録日2014-06-01
公開日2014-09-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases.
J.Med.Chem., 57, 2014
4QPE
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BU of 4qpe by Molmil
Crystal structure of Aminopeptidase N in complex with N-cyclohexyl-1,2-diaminoethylphosphonic acid
分子名称: Aminopeptidase N, SULFATE ION, ZINC ION, ...
著者Nocek, B, Mulligan, R, Berlicki, L, Vassilious, S, Mucha, A, Joachimiak, A.
登録日2014-06-23
公開日2014-09-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases.
J.Med.Chem., 57, 2014
4QHP
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BU of 4qhp by Molmil
Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-hPheP[CH2]Phe(4-CH2NH2)
分子名称: (2R)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid, (2S)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid, Aminopeptidase N, ...
著者Nocek, B, Joachimiak, A.
登録日2014-05-28
公開日2014-09-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases.
J.Med.Chem., 57, 2014
4QME
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BU of 4qme by Molmil
Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-hPheP[CH2]Phe
分子名称: (2S)-3-[(S)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid, Aminopeptidase N, GLYCEROL, ...
著者Nocek, B, Vassilious, S, Mulligan, R, Berlicki, L, Mucha, A, Joachimiak, A.
登録日2014-06-16
公開日2014-10-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases.
J.Med.Chem., 57, 2014
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
4QUO
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BU of 4quo by Molmil
Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-hPheP[CH2]Phe(3-CH2NH2)
分子名称: (2S)-2-[3-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid, Aminopeptidase N, GLYCEROL, ...
著者Nocek, B, Mulligan, R, Joachimiak, A, Vassiliou, S, Berlicki, L, Mucha, A.
登録日2014-07-11
公開日2014-09-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases.
J.Med.Chem., 57, 2014

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