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6HJG
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BU of 6hjg by Molmil
Trypanosoma cruzi proline racemase in complex with inhibitor OxoPA
Descriptor: LAEVULINIC ACID, PHOSPHATE ION, Proline racemase A
Authors:Saul, F, Haouz, A, Uriac, P, Blondel, A, Minoprio, P.
Deposit date:2018-09-03
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Designed mono- and di-covalent inhibitors trap modeled functional motions for Trypanosoma cruzi proline racemase in crystallography.
PLoS Negl Trop Dis, 12, 2018
6HJF
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BU of 6hjf by Molmil
Trypanosoma cruzi proline racemase in complex with inhibitor BrOxoPA
Descriptor: LAEVULINIC ACID, Proline racemase A
Authors:Saul, F, Haouz, A, Uriac, P, Blondel, A, Minoprio, P.
Deposit date:2018-09-03
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Designed mono- and di-covalent inhibitors trap modeled functional motions for Trypanosoma cruzi proline racemase in crystallography.
PLoS Negl Trop Dis, 12, 2018
6HJE
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BU of 6hje by Molmil
Trypanosoma cruzi proline racemase in complex with inhibitor NG-P27
Descriptor: 2-[(1~{S})-2-oxidanylidenecyclopentyl]ethanoic acid, PHOSPHATE ION, Proline racemase A
Authors:Saul, F, Haouz, A, Uriac, P, Blondel, A, Minoprio, P.
Deposit date:2018-09-03
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Designed mono- and di-covalent inhibitors trap modeled functional motions for Trypanosoma cruzi proline racemase in crystallography.
PLoS Negl Trop Dis, 12, 2018
8QKE
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BU of 8qke by Molmil
PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MH-13)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MH-13), ...
Authors:Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C.
Deposit date:2023-09-15
Release date:2024-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.504 Å)
Cite:Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1.
Eur.J.Med.Chem., 269, 2024
8QKJ
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BU of 8qkj by Molmil
PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-133)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MAM-133), ...
Authors:Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C.
Deposit date:2023-09-15
Release date:2024-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.767 Å)
Cite:Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1.
Eur.J.Med.Chem., 269, 2024
8QKG
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BU of 8qkg by Molmil
PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-125)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MAM-125), ...
Authors:Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C.
Deposit date:2023-09-15
Release date:2024-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1.
Eur.J.Med.Chem., 269, 2024
8COY
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BU of 8coy by Molmil
Structure of the catalytic domain of P. vivax Sub1 (triclinic crystal form) in complex with inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, SULFATE ION, ...
Authors:Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A.
Deposit date:2023-03-01
Release date:2023-07-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.507 Å)
Cite:3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor.
Acta Crystallogr D Struct Biol, 79, 2023
8CP0
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BU of 8cp0 by Molmil
Structure of the catalytic domain of P. vivax Sub1 (trigonal crystal form)
Descriptor: CALCIUM ION, subtilisin
Authors:Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A.
Deposit date:2023-03-01
Release date:2023-07-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.251 Å)
Cite:3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor.
Acta Crystallogr D Struct Biol, 79, 2023
8COZ
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BU of 8coz by Molmil
Structure of the catalytic domain of P. vivax Sub1 (triclinic crystal form)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, SULFATE ION, ...
Authors:Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A.
Deposit date:2023-03-01
Release date:2023-07-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.438 Å)
Cite:3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor.
Acta Crystallogr D Struct Biol, 79, 2023

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PDB entries from 2024-09-18

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