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1MRN
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BU of 1mrn by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH BISUBSTRATE INHIBITOR (TP5A)
Descriptor: MAGNESIUM ION, P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, SULFATE ION, ...
Authors:Haouz, A, Vanheusden, V, Munier-Lehmann, H, Froeyen, M, Herdewijn, P, Van Calenbergh, S, Delarue, M.
Deposit date:2002-09-18
Release date:2003-01-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Enzymatic and structural analysis of inhibitors designed against Mycobacterium tuberculosis thymidylate kinase. New insights into the phosphoryl transfer mechanism.
J.Biol.Chem., 278, 2003
1MRS
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BU of 1mrs by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH 5-CH2OH DEOXYURIDINE MONOPHOSPHATE
Descriptor: 5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
Authors:Haouz, A, Vanheusden, V, Munier-Lehmann, H, Froeyen, M, Herdewijn, P, Van Calenbergh, S, Delarue, M.
Deposit date:2002-09-18
Release date:2003-01-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enzymatic and structural analysis of inhibitors designed against Mycobacterium tuberculosis thymidylate kinase. New insights into the phosphoryl transfer mechanism.
J.Biol.Chem., 278, 2003
6Q42
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BU of 6q42 by Molmil
Crystal Structure of Human Pancreatic Phospholipase A2
Descriptor: CHLORIDE ION, Phospholipase A2
Authors:Saul, F, Haouz, A, Lambeau, G, Theze, J.
Deposit date:2018-12-05
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:PLA2G1B is involved in CD4 anergy and CD4 lymphopenia in HIV-infected patients.
J.Clin.Invest., 130, 2020
6TXR
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BU of 6txr by Molmil
Structural insights into cubane-modified aptamer recognition of a malaria biomarker
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Cheung, Y, Roethlisberger, P, Mechaly, A, Weber, P, Wong, A, Lo, Y, Haouz, A, Savage, P, Hollenstein, M, Tanner, J.
Deposit date:2020-01-14
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Evolution of abiotic cubane chemistries in a nucleic acid aptamer allows selective recognition of a malaria biomarker.
Proc.Natl.Acad.Sci.USA, 117, 2020
7PU9
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BU of 7pu9 by Molmil
Crystal structure of CaM in complex with CDZ (form 2)
Descriptor: 1-[bis(4-chlorophenyl)methyl]-3-[(2~{R})-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole, CALCIUM ION, Calmodulin-1
Authors:Mechaly, A.E, Leger, C, Haouz, A, Chenal, A.
Deposit date:2021-09-28
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.279 Å)
Cite:Dynamics and structural changes of calmodulin upon interaction with the antagonist calmidazolium.
Bmc Biol., 20, 2022
7PSZ
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BU of 7psz by Molmil
Crystal structure of CaM in complex with CDZ (form 1)
Descriptor: 1-[bis(4-chlorophenyl)methyl]-3-[(2~{R})-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole, CALCIUM ION, Calmodulin-1, ...
Authors:Mechaly, A.E, Leger, C, Haouz, A, Chenal, A.
Deposit date:2021-09-24
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Dynamics and structural changes of calmodulin upon interaction with the antagonist calmidazolium.
Bmc Biol., 20, 2022
4USS
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BU of 4uss by Molmil
Populus trichocarpa glutathione transferase X1-1 (GHR1), complexed with glutathione
Descriptor: GLUTATHIONE, GLUTATHIONYL HYDROQUINONE REDUCTASE, PHOSPHATE ION
Authors:Lallement, P.A, Meux, E, Gualberto, J.M, Dumaracay, S, Favier, F, Didierjean, C, Saul, F, Haouz, A, Morel-Rouhier, M, Gelhaye, E, Rouhier, N, Hecker, A.
Deposit date:2014-07-13
Release date:2014-12-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Glutathionyl-Hydroquinone Reductases from Poplar are Plastidial Proteins that Deglutathionylate Both Reduced and Oxidized Glutathionylated Quinones.
FEBS Lett., 589, 2015
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
1RFE
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BU of 1rfe by Molmil
Crystal structure of conserved hypothetical protein Rv2991 from Mycobacterium tuberculosis
Descriptor: hypothetical protein Rv2991
Authors:Benini, S, Haouz, A, Proux, F, Betton, J.M, Alzari, P, Dodson, G.G, Wilson, K.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2003-11-08
Release date:2004-12-28
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of Rv2991 from Mycobacterium tuberculosis: An F420binding protein with unknown function.
J. Struct. Biol., 2019
5IKP
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BU of 5ikp by Molmil
Crystal structure of human brain glycogen phosphorylase bound to AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Glycogen phosphorylase, brain form, ...
Authors:Mathieu, C, Li de la Sierra-Gallay, I, Xu, X, Haouz, A, Rodrigues-Lima, F.
Deposit date:2016-03-03
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Insights into Brain Glycogen Metabolism: THE STRUCTURE OF HUMAN BRAIN GLYCOGEN PHOSPHORYLASE.
J.Biol.Chem., 291, 2016
5IKO
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BU of 5iko by Molmil
Crystal structure of human brain glycogen phosphorylase
Descriptor: Glycogen phosphorylase, brain form, HEXAETHYLENE GLYCOL, ...
Authors:Mathieu, C, Li de la Sierra-Gallay, I, Xu, X, Haouz, A, Rodrigues-Lima, F.
Deposit date:2016-03-03
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights into Brain Glycogen Metabolism: THE STRUCTURE OF HUMAN BRAIN GLYCOGEN PHOSPHORYLASE.
J.Biol.Chem., 291, 2016
8OEP
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BU of 8oep by Molmil
Crystal structure of the PTPN3 PDZ domain bound to the HPV18 E6 oncoprotein C-terminal peptide
Descriptor: Protein E6, SODIUM ION, Tyrosine-protein phosphatase non-receptor type 3
Authors:Genera, M, Colcombet-Cazenave, B, Croitoru, A, Raynal, B, Mechaly, A, Caillet, J, Haouz, A, Wolff, N, Caillet-Saguy, C.
Deposit date:2023-03-11
Release date:2023-05-10
Last modified:2023-05-31
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Interactions of the protein tyrosine phosphatase PTPN3 with viral and cellular partners through its PDZ domain: insights into structural determinants and phosphatase activity.
Front Mol Biosci, 10, 2023
2CKD
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BU of 2ckd by Molmil
Crystal structure of ML2640 from Mycobacterium leprae
Descriptor: PUTATIVE S-ADENOSYL-L-METHIONINE-DEPENDENT METHYLTRANSFERASE ML2640
Authors:Grana, M, Buschiazzo, A, Wehenkel, A, Haouz, A, Alzari, P.M.
Deposit date:2006-04-17
Release date:2007-05-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Crystal Structure of M. Leprae Ml2640C Defines a Large Family of Putative S-Adenosylmethionine- Dependent Methyltransferases in Mycobacteria.
Protein Sci., 16, 2007
7BL7
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BU of 7bl7 by Molmil
Crystal structure of UMPK from M. tuberculosis in complex with UDP and UTP (P21212 form)
Descriptor: URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase
Authors:Walter, P, Labesse, G, Haouz, A, Mechaly, A.E, Munier-Lehmann, H.
Deposit date:2021-01-18
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target.
Febs J., 289, 2022
7BIX
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BU of 7bix by Molmil
Crystal structure of UMPK from M. tuberculosis in complex with UDP and UTP (C2 form)
Descriptor: URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase
Authors:Labesse, G, Walter, P, Haouz, A, Mechaly, A.E, Munier-Lehmann, H.
Deposit date:2021-01-13
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target.
Febs J., 289, 2022
2Y75
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BU of 2y75 by Molmil
The Structure of CymR (YrzC) the Global Cysteine Regulator of B. subtilis
Descriptor: CHLORIDE ION, HTH-TYPE TRANSCRIPTIONAL REGULATOR CYMR, SULFATE ION
Authors:Shepard, W, Soutourina, O, Courtois, E, England, P, Haouz, A, Martin-Verstraete, I.
Deposit date:2011-01-28
Release date:2011-08-03
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights Into the Rrf2 Repressor Family - the Structure of Cymr, the Global Cysteine Regulator of Bacillus Subtilis.
FEBS J., 278, 2011
4TR2
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BU of 4tr2 by Molmil
Crystal structure of PvSUB1
Descriptor: CALCIUM ION, PHOSPHATE ION, Subtilisin-like 1 serine protease
Authors:Giganti, D, Bouillon, A, Martinez, M, Weber, P, Girard-Blanc, C, Petres, S, Haouz, A, Barale, J.C, Alzari, P.M.
Deposit date:2014-06-13
Release date:2014-09-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A novel Plasmodium-specific prodomain fold regulates the malaria drug target SUB1 subtilase.
Nat Commun, 5, 2014
7QEM
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BU of 7qem by Molmil
bacterial IMPDH chimera
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase
Authors:Labesse, G, Gelin, M, Gedeon, A, Haouz, A, Munier-Lehmann, H.
Deposit date:2021-12-03
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMP dehydrogenases.
Protein Sci., 32, 2023
7QBJ
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BU of 7qbj by Molmil
bacterial IMPDH chimera
Descriptor: Inosine-5'-monophosphate dehydrogenase
Authors:Labesse, G, Gelin, M, Munier-Lehmann, H, Gedeon, A, Haouz, A.
Deposit date:2021-11-19
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMP dehydrogenases.
Protein Sci., 32, 2023
7QDX
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BU of 7qdx by Molmil
bacterial IMPDH chimera
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, MAGNESIUM ION
Authors:Labesse, G, Gelin, M, Munier-Lehmann, H, Gedeon, A, Haouz, A.
Deposit date:2021-11-30
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMP dehydrogenases.
Protein Sci., 32, 2023
8POL
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BU of 8pol by Molmil
Crystal structure of Plasmodium falciparum Sub1 protease
Descriptor: CALCIUM ION, PHOSPHATE ION, Subtilisin-like protease 1
Authors:Martinez, M, Bouillon, A, Haouz, A, Barale, J.C, Alzari, P.M.
Deposit date:2023-07-05
Release date:2024-03-06
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Prodomain-driven enzyme dimerization: a pH-dependent autoinhibition mechanism that controls Plasmodium Sub1 activity before merozoite egress.
Mbio, 2024
6MFV
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BU of 6mfv by Molmil
Crystal structure of the Signal Transduction ATPase with Numerous Domains (STAND) protein with a tetratricopeptide repeat sensor PH0952 from Pyrococcus horikoshii
Descriptor: ADENOSINE-5'-DIPHOSPHATE, tetratricopeptide repeat sensor PH0952
Authors:Lisa, M.N, Alzari, P.M, Haouz, A, Danot, O.
Deposit date:2018-09-12
Release date:2019-02-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Double autoinhibition mechanism of signal transduction ATPases with numerous domains (STAND) with a tetratricopeptide repeat sensor.
Nucleic Acids Res., 47, 2019
2J0E
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BU of 2j0e by Molmil
Three dimensional structure and catalytic mechanism of 6- phosphogluconolactonase from Trypanosoma brucei
Descriptor: 6-PHOSPHOGLUCONOLACTONASE, MERCURY (II) ION, POTASSIUM ION, ...
Authors:Delarue, M, Duclert-Savatier, N, Miclet, E, Haouz, A, Giganti, D, Ouazzani, J, Lopez, P, Nilges, M, Stoven, V.
Deposit date:2006-08-02
Release date:2007-01-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Three Dimensional Structure and Implications for the Catalytic Mechanism of 6-Phosphogluconolactonase from Trypanosoma Brucei.
J.Mol.Biol., 366, 2007
2J1Q
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BU of 2j1q by Molmil
Crystal structure of Trypanosoma cruzi arginine kinase
Descriptor: ARGININE KINASE, GLYCEROL
Authors:Fernandez, P, Haouz, A, Pereira, C.A, Aguilar, C, Alzari, P.M.
Deposit date:2006-08-15
Release date:2007-07-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Crystal Structure of Trypanosoma Cruzi Arginine Kinase.
Proteins, 69, 2007

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