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4ZX3
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BU of 4zx3 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10b
Descriptor: DIMETHYL SULFOXIDE, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZY1
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BU of 4zy1 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10r
Descriptor: CARBONATE ION, GLYCEROL, N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-21
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
5CDX
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BU of 5cdx by Molmil
Crystal structure of conserpin
Descriptor: Conserpin
Authors:Porebski, B.T, Borg, N.A, McGowan, S, Buckle, A.M.
Deposit date:2015-07-06
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Smoothing a rugged protein folding landscape by sequence-based redesign.
Sci Rep, 6, 2016
4Z09
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BU of 4z09 by Molmil
Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Thr2040Ala] peptide
Descriptor: Apical membrane antigen 1, GLYCEROL, Rhoptry neck protein 2
Authors:Wang, G, McGowan, S, Norton, R.S, Scanlon, M.J.
Deposit date:2015-03-26
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Activity Studies of beta-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction.
J.Mol.Biol., 428, 2016
4Z0D
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BU of 4z0d by Molmil
Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Phe2038Trp] peptide
Descriptor: Apical membrane antigen 1, Rhoptry neck protein 2
Authors:Wang, G, McGowan, S, Norton, R.S, Scanlon, M.J.
Deposit date:2015-03-26
Release date:2016-08-03
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Activity Studies of beta-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction.
J.Mol.Biol., 428, 2016
4Z0E
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BU of 4z0e by Molmil
Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Phe2038TRN] peptide
Descriptor: Apical membrane antigen 1, Rhoptry neck protein 2
Authors:Wang, G, McGowan, S, Norton, R.S, Scanlon, M.J.
Deposit date:2015-03-26
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Activity Studies of beta-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction.
J.Mol.Biol., 428, 2016
4Z0F
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BU of 4z0f by Molmil
Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Phe2038(6CW)] peptide
Descriptor: Apical membrane antigen 1, Rhoptry neck protein 2
Authors:Wang, G, McGowan, S, Norton, R.S, Scanlon, M.J.
Deposit date:2015-03-26
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Activity Studies of beta-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction.
J.Mol.Biol., 428, 2016
4ZQT
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BU of 4zqt by Molmil
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
5CBM
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BU of 5cbm by Molmil
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
8SLO
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BU of 8slo by Molmil
Plasmodium falciparum M1 aminopeptidase bound to selective inhibitor MIPS2673
Descriptor: 2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide, GLYCEROL, M1 family aminopeptidase, ...
Authors:McGowan, S.M, Drinkwater, N.
Deposit date:2023-04-24
Release date:2024-04-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Chemoproteomics validates selective targeting of Plasmodium M1 alanyl aminopeptidase as an antimalarial strategy.
Elife, 13, 2024
3H7T
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BU of 3h7t by Molmil
Crystal structure of scabies mite inactivated protease paralogue S-D1 (SMIPP-S-D1)
Descriptor: Group 3 allergen SMIPP-S YvT004A06, ZINC ION
Authors:Buckle, A.M.
Deposit date:2009-04-28
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural mechanisms of inactivation in scabies mite serine protease paralogues.
J.Mol.Biol., 390, 2009
3H7O
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BU of 3h7o by Molmil
Crystal structure of scabies mite inactivated protease paralogue S-I1 (SMIPP-S-I1)
Descriptor: GLYCEROL, Group 3 allergen SMIPP-S Yv6023A04, SULFATE ION
Authors:Buckle, A.M.
Deposit date:2009-04-28
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural mechanisms of inactivation in scabies mite serine protease paralogues.
J.Mol.Biol., 390, 2009
4U6W
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BU of 4u6w by Molmil
HsMetAP (F220M) in complex with 1-amino-2-propylpentyl]phosphonic acid
Descriptor: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-30
Release date:2015-03-25
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U71
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BU of 4u71 by Molmil
HsMetAP(F309M) IN COMPLEX WITH 1- amino(cyclohexyl)methy)phosphonic acid
Descriptor: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-30
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U75
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BU of 4u75 by Molmil
HsMetAP (F309M) in complex with Methionine
Descriptor: COBALT (II) ION, GLYCEROL, METHIONINE, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-30
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U6E
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BU of 4u6e by Molmil
HsMetAP in complex with (amino(phenyl)methyl)phosphonic acid
Descriptor: COBALT (II) ION, Methionine aminopeptidase 1, [(R)-amino(phenyl)methyl]phosphonic acid
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-28
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U6Z
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BU of 4u6z by Molmil
HsMetAP(F309M) in complex with 1-amino-2-propylpentyl)phosphonic acid
Descriptor: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-30
Release date:2015-04-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U1B
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BU of 4u1b by Molmil
HsMetAP in complex with (1-amino-2-propylpentyl)phosphonic acid
Descriptor: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-15
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U6J
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BU of 4u6j by Molmil
HsMetAP in complex with methionine
Descriptor: COBALT (II) ION, GLYCEROL, METHIONINE, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-29
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U6C
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BU of 4u6c by Molmil
HsMetAP in complex with [(1R)-1-amino-3-cyclopentylpropyl]phosphonic acid
Descriptor: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-28
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U69
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BU of 4u69 by Molmil
HsMetAP complex with (1-amino-2-methylpentyl)phosphonic acid
Descriptor: COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-28
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U70
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BU of 4u70 by Molmil
HsMetAP (F309M) in complex with (1-amino-2-cyclohexylethyl)phosphonic acid
Descriptor: COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-30
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U76
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BU of 4u76 by Molmil
HsMetAP (F309M) holo form
Descriptor: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-30
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U73
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BU of 4u73 by Molmil
HsMetAP(F309M) IN COMPLEX WITH (amino(phenyl)methyl)phosphonic acid
Descriptor: COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-30
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
2NW0
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BU of 2nw0 by Molmil
Crystal structure of a lysin
Descriptor: ACETATE ION, PlyB
Authors:Porter, C.J, Buckle, A.M, Whisstock, J.C.
Deposit date:2006-11-14
Release date:2006-12-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The 1.6 A Crystal Structure of the Catalytic Domain of PlyB, a Bacteriophage Lysin Active Against Bacillus anthracis.
J.Mol.Biol., 366, 2007

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