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1N5I
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BU of 1n5i by Molmil
CRYSTAL STRUCTURE OF INACTIVE MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (TMP) AT PH 4.6 (RESOLUTION 1.85 A)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CITRATE ANION, SULFATE ION, ...
Authors:Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D.
Deposit date:2002-11-06
Release date:2003-04-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the Reaction Pathway
J.Mol.Biol., 327, 2003
1N5K
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE CRYSTALLIZED IN SODIUM MALONATE (RESOLUTION 2.1 A)
Descriptor: ACETATE ION, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ...
Authors:Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D.
Deposit date:2002-11-06
Release date:2003-04-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the Reaction Pathway
J.Mol.Biol., 375, 2003
1N5L
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BU of 1n5l by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE CRYSTALLIZED IN SODIUM MALONATE, AFTER CATALYSIS IN THE CRYSTAL (2.3 A RESOLUTION)
Descriptor: ACETATE ION, DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D.
Deposit date:2002-11-06
Release date:2003-04-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the Reaction Pathway
J.Mol.Biol., 375, 2003
1OIG
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BU of 1oig by Molmil
The solution structure of the DPY module from the Dumpy protein
Descriptor: Dumpy, isoform Y
Authors:Wilkin, M.B, Becker, M.N, Mulvey, D, Phan, I, Chao, A, Cooper, K, Chung, H.J, Campbell, I.D, Baron, M, MacIntyre, R.
Deposit date:2003-06-18
Release date:2003-06-26
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Drosophila Dumpy is a Gigantic Extracellular Protein Required to Maintain Tension at Epidermal-Cuticle Attachment Sites
Curr.Biol., 10, 2000
5DLI
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BU of 5dli by Molmil
Corkscrew assembly of SOD1 residues 28-38
Descriptor: GLYCEROL, IODIDE ION, Superoxide dismutase [Cu-Zn]
Authors:Sangwan, S, Zhao, A, Sawaya, M.R, Eisenberg, D.
Deposit date:2015-09-05
Release date:2016-09-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Atomic structure of a toxic, oligomeric segment of SOD1 linked to amyotrophic lateral sclerosis (ALS).
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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
4APA
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BU of 4apa by Molmil
Crystal structure of Mycobacterium tuberculosis fumarase (Rv1098c) S318A in apo form
Descriptor: FUMARATE HYDRATASE CLASS II
Authors:Bellinzoni, M, Haouz, A, Mechaly, A.E, Alzari, P.M.
Deposit date:2012-03-31
Release date:2012-04-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Conformational Changes Upon Ligand Binding in the Essential Class II Fumarase Rv1098C from Mycobacterium Tuberculosis.
FEBS Lett., 586, 2012
4A6D
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BU of 4a6d by Molmil
Crystal structure of human N-acetylserotonin methyltransferase (ASMT) in complex with SAM
Descriptor: GLYCEROL, HYDROXYINDOLE O-METHYLTRANSFERASE, S-ADENOSYLMETHIONINE, ...
Authors:Legrand, P, Haouz, A, Shepard, W.
Deposit date:2011-11-01
Release date:2012-11-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure and Functional Mapping of Human Asmt, the Last Enzyme of the Melatonin Synthesis Pathway.
J.Pineal Res., 54, 2013
4QT1
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BU of 4qt1 by Molmil
JAK3 kinase domain in complex with 1-[(3S)-1-isobutylsulfonyl-3-piperidyl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
Descriptor: 1-{(3S)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2014-07-07
Release date:2015-05-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Scaffold hopping towards potent and selective JAK3 inhibitors: discovery of novel C-5 substituted pyrrolopyrazines
Bioorg.Med.Chem.Lett., 24, 2014
4ADL
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BU of 4adl by Molmil
Crystal structures of Rv1098c in complex with malate
Descriptor: (2S)-2-hydroxybutanedioic acid, FUMARATE HYDRATASE CLASS II
Authors:Mechaly, A.E, Haouz, A, Miras, I, Weber, P, Shepard, W, Cole, S, Alzari, P.M, Bellinzoni, M.
Deposit date:2011-12-26
Release date:2012-04-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational Changes Upon Ligand Binding in the Essential Class II Fumarase Rv1098C from Mycobacterium Tuberculosis.
FEBS Lett., 586, 2012
4ADM
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BU of 4adm by Molmil
Crystal structure of Rv1098c in complex with meso-tartrate
Descriptor: FUMARATE HYDRATASE CLASS II, GLYCEROL, S,R MESO-TARTARIC ACID
Authors:Mechaly, A.E, Haouz, A, Miras, I, Weber, P, Shepard, W, Cole, S, Alzari, P.M, Bellinzoni, M.
Deposit date:2011-12-27
Release date:2012-04-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Conformational Changes Upon Ligand Binding in the Essential Class II Fumarase Rv1098C from Mycobacterium Tuberculosis.
FEBS Lett., 586, 2012
4A6E
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BU of 4a6e by Molmil
Crystal structure of human N-acetylserotonin methyltransferase (ASMT) in complex with SAM and N-acetylserotonin
Descriptor: GLYCEROL, HYDROXYINDOLE O-METHYLTRANSFERASE, N-ACETYL SEROTONIN, ...
Authors:Legrand, P, Haouz, A, Shepard, W.
Deposit date:2011-11-01
Release date:2012-11-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure and Functional Mapping of Human Asmt, the Last Enzyme of the Melatonin Synthesis Pathway.
J.Pineal Res., 54, 2013
4APB
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BU of 4apb by Molmil
Crystal structure of Mycobacterium tuberculosis fumarase (Rv1098c) S318C in complex with fumarate
Descriptor: CALCIUM ION, FUMARATE HYDRATASE CLASS II, FUMARIC ACID
Authors:Bellinzoni, M, Haouz, A, Mechaly, A.E, Alzari, P.M.
Deposit date:2012-03-31
Release date:2012-04-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Conformational Changes Upon Ligand Binding in the Essential Class II Fumarase Rv1098C from Mycobacterium Tuberculosis.
FEBS Lett., 586, 2012
2CDN
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BU of 2cdn by Molmil
Crystal structure of Mycobacterium tuberculosis adenylate kinase complexed with two molecules of ADP and Mg
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINASE, MAGNESIUM ION
Authors:Bellinzoni, M, Haouz, A, Grana, M, Munier-Lehmann, H, Alzari, P.M.
Deposit date:2006-01-25
Release date:2006-05-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Crystal Structure of Mycobacterium Tuberculosis Adenylate Kinase in Complex with Two Molecules of Adp and Mg2+ Supports an Associative Mechanism for Phosphoryl Transfer.
Protein Sci., 15, 2006
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
8S4H
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BU of 8s4h by Molmil
Crystal structure of scFv-1B6 in complex with rocuronium bromide
Descriptor: ScFv-1B6 VL, rocuronium, scFv-1B6 VH
Authors:Saul, F.A, Haouz, A, Bruhns, P.
Deposit date:2024-02-21
Release date:2024-09-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rocuronium-specific antibodies drive perioperative anaphylaxis but can also function as reversal agents in preclinical models.
Sci Transl Med, 16, 2024
8S4K
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BU of 8s4k by Molmil
Crystal structure of Fab-2B1 in complex with rocuronium
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fab-2B1 VH, Fab-2B1 VL, ...
Authors:Saul, F.A, Haouz, A, Bruhns, P.
Deposit date:2024-02-21
Release date:2024-09-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Rocuronium-specific antibodies drive perioperative anaphylaxis but can also function as reversal agents in preclinical models.
Sci Transl Med, 16, 2024
8A9W
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BU of 8a9w by Molmil
Crystal structure of PulL C-ter domain
Descriptor: SULFATE ION, Type II secretion system protein L
Authors:Dazzoni, R, Li, Y, Lopez-Castilla, A, Brier, S, Mechaly, A, Cordier, F, Haouz, A, Nilges, M, Francetic, O, Bardiaux, B, Izadi-Pruneyre, N.
Deposit date:2022-06-29
Release date:2023-01-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Structure and dynamic association of an assembly platform subcomplex of the bacterial type II secretion system.
Structure, 31, 2023
8AB1
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BU of 8ab1 by Molmil
Crystal structure of the PulL-PulM C-terminal domain heterocomplex
Descriptor: Type II secretion system protein L, Type II secretion system protein M
Authors:Dazzoni, R, Li, Y, Lopez-Castilla, A, Brier, S, Mechaly, A, Cordier, F, Haouz, A, Nilges, M, Francetic, O, Bardiaux, B, Izadi-Pruneyre, N.
Deposit date:2022-07-04
Release date:2023-01-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structure and dynamic association of an assembly platform subcomplex of the bacterial type II secretion system.
Structure, 31, 2023
8A9X
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BU of 8a9x by Molmil
Crystal structure of PulM C-ter domain
Descriptor: Type II secretion system protein M
Authors:Dazzoni, R, Li, Y, Lopez-Castilla, A, Brier, S, Mechaly, A, Cordier, F, Haouz, A, Nilges, M, Francetic, O, Bardiaux, B, Izadi-Pruneyre, N.
Deposit date:2022-06-29
Release date:2023-01-25
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.523 Å)
Cite:Structure and dynamic association of an assembly platform subcomplex of the bacterial type II secretion system.
Structure, 31, 2023
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
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:2024-11-06
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
2UYQ
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BU of 2uyq by Molmil
Crystal structure of ML2640c from Mycobacterium leprae in complex with S-adenosylmethionine
Descriptor: HYPOTHETICAL PROTEIN ML2640, S-ADENOSYLMETHIONINE
Authors:Grana, M, Buschiazzo, A, Wehenkel, A, Haouz, A, Miras, I, Shepard, W, Alzari, P.M.
Deposit date:2007-04-11
Release date:2007-08-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 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
2UYO
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BU of 2uyo by Molmil
Crystal structure of ML2640c from Mycobacterium leprae in an hexagonal crystal form
Descriptor: HYPOTHETICAL PROTEIN ML2640
Authors:Grana, M, Buschiazzo, A, Wehenkel, A, Haouz, A, Miras, I, Shepard, W, Alzari, P.M.
Deposit date:2007-04-11
Release date:2007-08-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 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
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:2024-06-19
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

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