4TR2
| 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
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6TXR
| 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
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1MUO
| 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
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4ADM
| 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
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4ADL
| 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
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4B6L
| 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
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4DMO
| 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
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6TBK
| 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
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6TBF
| 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
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6TBI
| 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
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6TBJ
| 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
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6TBH
| 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
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6TBG
| 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
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6YNU
| 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
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6YNS
| 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
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2CCY
| 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
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4Q11
| 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
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7PU9
| 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
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7PSZ
| 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
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4U06
| 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
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4U08
| 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
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4TZH
| 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
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4U09
| 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
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4HZI
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4A6E
| 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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