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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
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
1MUO
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BU of 1muo by Molmil
CRYSTAL STRUCTURE OF AURORA-2, AN ONCOGENIC SERINE-THREONINE KINASE
Descriptor: ADENOSINE, Aurora-related kinase 1
Authors:Cheetham, G.M.T, Knegtel, R.M.A, Coll, J.T, Renwick, S.B, Swenson, L, Weber, P, Lippke, J.A, Austen, D.A.
Deposit date:2002-09-24
Release date:2003-04-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Aurora-2, an Oncogenic Serine/Threonine Kinase
J.Biol.Chem., 277, 2002
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
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
4B6L
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BU of 4b6l by Molmil
Discovery of Oral Polo-Like Kinase (PLK) Inhibitors with Enhanced Selectivity Profile using Residue Targeted Drug Design
Descriptor: 4-[[(4R)-5-cyclopentyl-4-ethyl-3a,4-dihydro-3H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-3-methoxy-benzamide, SERINE/THREONINE-PROTEIN KINASE PLK3, SULFATE ION
Authors:Brown, K, Charrier, J.D, Durrant, S, Griffiths, M, Hudson, C, Kay, D, Knegtel, R, ODonnell, M, Pierard, F, Twin, H, Weber, P, Young, S.
Deposit date:2012-08-14
Release date:2013-08-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Oral Polo-Like Kinase (Plk) Inhibitors with Enhanced Selectivity Profile Using Residue Targeted Drug Design
To be Published
4DMO
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BU of 4dmo by Molmil
Crystal structure of the (BACCR)NAT3 arylamine N-acetyltransferase from Bacillus cereus reveals a unique Cys-His-Glu catalytic triad
Descriptor: 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, N-hydroxyarylamine O-acetyltransferase
Authors:Kubiak, X, Li de la Sierra-Gallay, I, Haouz, A, Weber, P, Rodrigues-Lima, F.
Deposit date:2012-02-08
Release date:2013-06-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural and Biochemical Characterization of an Active Arylamine N-Acetyltransferase Possessing a Non-canonical Cys-His-Glu Catalytic Triad.
J.Biol.Chem., 288, 2013
6TBK
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BU of 6tbk by Molmil
Structure of a beta galactosidase with inhibitor
Descriptor: 5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide, Beta-galactosidase, putative, ...
Authors:Offen, W, Davies, G.
Deposit date:2019-11-01
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine.
Molecules, 25, 2020
6TBF
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BU of 6tbf by Molmil
Structure of a beta galactosidase with inhibitor
Descriptor: (1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol, ACETATE ION, Beta-galactosidase, ...
Authors:Offen, W, Davies, G.
Deposit date:2019-11-01
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine.
Molecules, 25, 2020
6TBI
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BU of 6tbi by Molmil
Structure of a beta galactosidase with inhibitor
Descriptor: (1S,2S,3S,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol, ACETATE ION, Beta-galactosidase, ...
Authors:Offen, W, Davies, G.
Deposit date:2019-11-01
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine.
Molecules, 25, 2020
6TBJ
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BU of 6tbj by Molmil
Structure of a beta galactosidase with inhibitor
Descriptor: 5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide, Beta-galactosidase, putative, ...
Authors:Offen, W, Davies, G.
Deposit date:2019-11-01
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine.
Molecules, 25, 2020
6TBH
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BU of 6tbh by Molmil
Structure of a beta galactosidase with inhibitor
Descriptor: 5-[ethyl(methyl)amino]-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide, ACETATE ION, Beta-galactosidase, ...
Authors:Offen, W, Davies, G.
Deposit date:2019-11-01
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine.
Molecules, 25, 2020
6TBG
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BU of 6tbg by Molmil
Structure of a beta galactosidase with inhibitor
Descriptor: 5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide, ACETATE ION, Beta-galactosidase, ...
Authors:Offen, W, Davies, G.
Deposit date:2019-11-01
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine.
Molecules, 25, 2020
6YNU
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BU of 6ynu by Molmil
CaM-P458 complex (crystal form 1)
Descriptor: Bifunctional adenylate cyclase toxin/hemolysin CyaA, CALCIUM ION, Calmodulin-1
Authors:Mechaly, A.E, Voegele, A, Haouz, A, Chenal, A.
Deposit date:2020-04-14
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:A High-Affinity Calmodulin-Binding Site in the CyaA Toxin Translocation Domain is Essential for Invasion of Eukaryotic Cells.
Adv Sci, 8, 2021
6YNS
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BU of 6yns by Molmil
CaM-P458 complex (crystal form 2)
Descriptor: Bifunctional adenylate cyclase toxin/hemolysin CyaA, CALCIUM ION, Calmodulin-1
Authors:Mechaly, A.E, Voegele, A, Haouz, A, Chenal, A.
Deposit date:2020-04-14
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.94 Å)
Cite:A High-Affinity Calmodulin-Binding Site in the CyaA Toxin Translocation Domain is Essential for Invasion of Eukaryotic Cells.
Adv Sci, 8, 2021
2CCY
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BU of 2ccy by Molmil
STRUCTURE OF FERRICYTOCHROME C(PRIME) FROM RHODOSPIRILLUM MOLISCHIANUM AT 1.67 ANGSTROMS RESOLUTION
Descriptor: CYTOCHROME C, HEME C
Authors:Finzel, B.C, Weber, P.C, Hardman, K.D, Salemme, F.R.
Deposit date:1985-08-27
Release date:1986-01-21
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure of ferricytochrome c' from Rhodospirillum molischianum at 1.67 A resolution.
J.Mol.Biol., 186, 1985
4Q11
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BU of 4q11 by Molmil
Crystal structure of Proteus mirabilis transcriptional regulator protein Crl at 1.95A resolution
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Sigma factor-binding protein Crl
Authors:Norel, F, Mayer, C, Saul, F.A, Haouz, A.
Deposit date:2014-04-02
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and functional features of Crl proteins and identification of conserved surface residues required for interaction with the RpoS/ sigma S subunit of RNA polymerase.
Biochem.J., 463, 2014
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
4U06
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BU of 4u06 by Molmil
Structure of Leptospira interrogans LRR protein LIC10831
Descriptor: CHLORIDE ION, LIC10831, ZINC ION
Authors:Shepard, W, Saul, F.A, Haouz, A, Picardeau, M.
Deposit date:2014-07-11
Release date:2015-06-03
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization of a novel subfamily of leucine-rich repeat proteins from the human pathogen Leptospira interrogans.
Acta Crystallogr.,Sect.D, 71, 2015
4U08
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BU of 4u08 by Molmil
Structure of Leptospira interrogans LRR protein LIC11098
Descriptor: CALCIUM ION, LIC11098, SULFATE ION, ...
Authors:Shepard, W, Saul, F.A, Haouz, A, Picardeau, M.
Deposit date:2014-07-11
Release date:2015-06-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural characterization of a novel subfamily of leucine-rich repeat proteins from the human pathogen Leptospira interrogans.
Acta Crystallogr.,Sect.D, 71, 2015
4TZH
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BU of 4tzh by Molmil
Structure of Leptospira interrogans LRR protein LIC12234
Descriptor: ACETATE ION, CHLORIDE ION, LIC12234, ...
Authors:Shepard, W, Saul, F.A, Haouz, A, Picardeau, M.
Deposit date:2014-07-10
Release date:2015-06-03
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural characterization of a novel subfamily of leucine-rich repeat proteins from the human pathogen Leptospira interrogans.
Acta Crystallogr.,Sect.D, 71, 2015
4U09
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BU of 4u09 by Molmil
Structure of Leptospira interrogans LRR protein LIC12759
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Shepard, W, Saul, F.A, Haouz, A, Picardeau, M.
Deposit date:2014-07-11
Release date:2015-06-03
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural characterization of a novel subfamily of leucine-rich repeat proteins from the human pathogen Leptospira interrogans.
Acta Crystallogr.,Sect.D, 71, 2015
4HZI
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BU of 4hzi by Molmil
Crystal structure of the Leptospira interrogans ATPase subunit of an orphan ABC transporter
Descriptor: ABC transporter ATP-binding protein, SULFATE ION
Authors:Saul, F.A, Haouz, A, Picardeau, M.
Deposit date:2012-11-15
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Functional Characterization of an Orphan ATP-Binding Cassette ATPase Involved in Manganese Utilization and Tolerance in Leptospira spp.
J.Bacteriol., 195, 2013
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:2013-08-28
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

 

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