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Phosphonic Arginine Mimetics as Inhibitors of the M1 Aminopeptidases from Plasmodium falciparum
Descriptor:	GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:	McGowan, S.
Deposit date:	2013-04-14
Release date:	2013-06-12
Last modified:	2023-09-20
Method:	X-RAY DIFFRACTION (1.75 Å)
Cite:	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

Phosphonic Arginine Mimetics as Inhibitors of the M1 Aminopeptidases from Plasmodium falciparum
Descriptor:	GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:	McGowan, S.
Deposit date:	2013-04-15
Release date:	2013-06-12
Last modified:	2023-09-20
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	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

4R7M

Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
Descriptor:	4-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, CARBONATE ION, DIMETHYL SULFOXIDE, ...
Authors:	Drinkwater, N, Mcgowan, S.
Deposit date:	2014-08-28
Release date:	2014-10-29
Last modified:	2023-09-20
Method:	X-RAY DIFFRACTION (2.85 Å)
Cite:	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

4R5V

Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
Descriptor:	GLYCEROL, M1 family aminopeptidase, N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}-2,2-dimethylpropanamide, ...
Authors:	Drinkwater, N, Mcgowan, S.
Deposit date:	2014-08-22
Release date:	2014-10-29
Last modified:	2023-09-20
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	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

4R1B

Crystal Structure of 3D7 strain Plasmodium falciparum AMA1
Descriptor:	Apical membrane antigen 1, AMA1
Authors:	Lim, S.S, Norton, R.S, McGowan, S.
Deposit date:	2014-08-04
Release date:	2015-01-14
Last modified:	2023-09-20
Method:	X-RAY DIFFRACTION (1.6 Å)
Cite:	Structure and Dynamics of Apical Membrane Antigen 1 from Plasmodium falciparum FVO. Biochemistry, 53, 2014

4R5X

Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
Descriptor:	3-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:	Drinkwater, N, Mcgowan, S.
Deposit date:	2014-08-22
Release date:	2014-10-29
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (1.85 Å)
Cite:	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

4R76

Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
Descriptor:	3-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, CARBONATE ION, M17 family aminopeptidase, ...
Authors:	Drinkwater, N, Mcgowan, S.
Deposit date:	2014-08-27
Release date:	2014-10-29
Last modified:	2023-09-20
Method:	X-RAY DIFFRACTION (2.5 Å)
Cite:	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

4R1C

Crystal Structure of 3D7 strain Plasmodium falciparum AMA1
Descriptor:	Apical membrane antigen 1, AMA1
Authors:	Lim, S.S, Norton, R.S, McGowan, S.
Deposit date:	2014-08-04
Release date:	2015-01-14
Last modified:	2024-11-06
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	Structure and Dynamics of Apical Membrane Antigen 1 from Plasmodium falciparum FVO. Biochemistry, 53, 2014

4R5T

Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
Descriptor:	DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:	Drinkwater, N, Mcgowan, S.
Deposit date:	2014-08-22
Release date:	2014-10-29
Last modified:	2023-09-20
Method:	X-RAY DIFFRACTION (1.98 Å)
Cite:	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

4R6T

Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
Descriptor:	CARBONATE ION, DIMETHYL SULFOXIDE, M17 leucyl aminopeptidase, ...
Authors:	Drinkwater, N, Mcgowan, S.
Deposit date:	2014-08-26
Release date:	2014-10-29
Last modified:	2023-09-20
Method:	X-RAY DIFFRACTION (2.6 Å)
Cite:	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

4R1A

Crystal Structure of FVO strain Plasmodium falciparum AMA1
Descriptor:	Apical membrane antigen 1
Authors:	Lim, S.S, Norton, R.S, McGowan, S.
Deposit date:	2014-08-04
Release date:	2015-01-14
Last modified:	2023-09-20
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	Structure and Dynamics of Apical Membrane Antigen 1 from Plasmodium falciparum FVO. Biochemistry, 53, 2014

4R19

Crystal Structure of 3D7 strain Plasmodium falciparum AMA1
Descriptor:	Apical membrane antigen 1, AMA1
Authors:	Lim, S.S, Norton, R.S, McGowan, S.
Deposit date:	2014-08-04
Release date:	2015-01-14
Last modified:	2024-10-09
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Structure and Dynamics of Apical Membrane Antigen 1 from Plasmodium falciparum FVO. Biochemistry, 53, 2014

6EE3

X-ray crystal structure of Pf-M1 in complex with inhibitor (6k) and catalytic zinc ion
Descriptor:	(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, ...
Authors:	Drinkwater, N, McGowan, S.
Deposit date:	2018-08-13
Release date:	2018-12-26
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (1.82 Å)
Cite:	Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases. J. Med. Chem., 62, 2019

6EED

X-ray crystal structure of Pf-M1 in complex with inhibitor (6p) and catalytic zinc ion
Descriptor:	(2R)-2-[(cyclohexylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:	Drinkwater, N, McGowan, S.
Deposit date:	2018-08-13
Release date:	2018-12-26
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (1.5 Å)
Cite:	Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases. J. Med. Chem., 62, 2019

6EA2

X-ray crystal structure of Pf-M1 in complex with inhibitor (6h) and catalytic zinc ion
Descriptor:	DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:	Drinkwater, N, McGowan, S.
Deposit date:	2018-08-02
Release date:	2018-12-26
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (1.35 Å)
Cite:	Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases. J. Med. Chem., 62, 2019

6EAB

X-ray crystal structure of Pf-M1 in complex with inhibitor (6j) and catalytic zinc ion
Descriptor:	GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:	Drinkwater, N, McGowan, S.
Deposit date:	2018-08-02
Release date:	2018-12-26
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (1.85 Å)
Cite:	Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases. J. Med. Chem., 62, 2019

6EAA

X-ray crystal structure of Pf-M1 in complex with inhibitor (6i) and catalytic zinc ion
Descriptor:	GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:	Drinkwater, N, McGowan, S.
Deposit date:	2018-08-02
Release date:	2018-12-26
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (1.65 Å)
Cite:	Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases. J. Med. Chem., 62, 2019

6EEE

X-ray crystal structure of Pf-M17 in complex with inhibitor (6k) and regulatory zinc ion
Descriptor:	(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, ...
Authors:	Drinkwater, N, McGowan, S.
Deposit date:	2018-08-13
Release date:	2018-12-26
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases. J. Med. Chem., 62, 2019

6EA1

X-ray crystal structure of Pf-M1 in complex with inhibitor (6da) and catalytic zinc ion
Descriptor:	(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, ...
Authors:	Drinkwater, N, McGowan, S.
Deposit date:	2018-08-02
Release date:	2018-12-26
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (1.815 Å)
Cite:	Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases. J. Med. Chem., 62, 2019

5QKC

Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A1_1)
Descriptor:	Thiol:disulfide interchange protein
Authors:	Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
Deposit date:	2019-01-27
Release date:	2020-02-05
Last modified:	2024-10-09
Method:	X-RAY DIFFRACTION (2.146 Å)
Cite:	Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020

5QKS

Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A8_1)
Descriptor:	Thiol:disulfide interchange protein
Authors:	Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
Deposit date:	2019-01-27
Release date:	2020-02-05
Last modified:	2024-11-06
Method:	X-RAY DIFFRACTION (2.118 Å)
Cite:	Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020

5QL9

Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure B9_2)
Descriptor:	Thiol:disulfide interchange protein
Authors:	Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
Deposit date:	2019-01-27
Release date:	2020-02-05
Last modified:	2020-07-22
Method:	X-RAY DIFFRACTION (2.151 Å)
Cite:	Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020

5QLS

Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure D11_1)
Descriptor:	Thiol:disulfide interchange protein
Authors:	Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
Deposit date:	2019-01-27
Release date:	2020-02-05
Last modified:	2020-07-22
Method:	X-RAY DIFFRACTION (2.007 Å)
Cite:	Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020

5QM7

Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure E2_1)
Descriptor:	Thiol:disulfide interchange protein
Authors:	Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
Deposit date:	2019-01-27
Release date:	2020-02-05
Last modified:	2020-07-22
Method:	X-RAY DIFFRACTION (2.037 Å)
Cite:	Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020

5QKI

Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A2_2)
Descriptor:	Thiol:disulfide interchange protein
Authors:	Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
Deposit date:	2019-01-27
Release date:	2020-02-05
Last modified:	2020-07-22
Method:	X-RAY DIFFRACTION (2.304 Å)
Cite:	Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020

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