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1TI1
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crystal structure of a mutant DsbA
Descriptor: DODECANE, Thiol:disulfide interchange protein dsbA
Authors:Kone, A, Serre, L.
Deposit date:2004-06-02
Release date:2005-05-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Intriguing conformation changes associated with the trans/cis isomerization of a prolyl residue in the active site of the DsbA C33A mutant.
J.Mol.Biol., 347, 2005
1XCC
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1-Cys peroxidoxin from Plasmodium Yoelli
Descriptor: 1-Cys peroxiredoxin
Authors:Vedadi, M, Sharma, S, Houston, S, Lew, J, Wasney, G, Amani, M, Xu, X, Bray, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Hui, R, Bochkarev, A, Structural Genomics Consortium (SGC)
Deposit date:2004-09-01
Release date:2004-11-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
1U3A
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BU of 1u3a by Molmil
mutant DsbA
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Thiol: disulfide interchange protein dsbA
Authors:Serre, L.
Deposit date:2004-07-21
Release date:2005-05-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Intriguing conformation changes associated with the trans/cis isomerization of a prolyl residue in the active site of the DsbA C33A mutant
J.Mol.Biol., 347, 2005
1XNN
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BU of 1xnn by Molmil
CRYSTAL STRUCTURE OF THE RAT ANDROGEN RECEPTOR LIGAND BINDING DOMAIN T877A MUTANT COMPLEX WITH (3A-ALPHA-,4-ALPHA 7-ALPHA-,7A-ALPHA-)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE.
Descriptor: Androgen receptor, REL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE
Authors:Sack, J.
Deposit date:2004-10-05
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure based approach to the design of bicyclic-1H-isoindole-1,3(2H)-dione based androgen receptor antagonists.
Bioorg.Med.Chem.Lett., 15, 2005
4B5C
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BU of 4b5c by Molmil
Crystal structure of the peptidoglycan-associated lipoprotein from Burkholderia pseudomallei
Descriptor: ACETATE ION, PUTATIVE OMPA FAMILY LIPOPROTEIN
Authors:Gourlay, L.J, Peri, C, Conchillo-Sole, O, Ferrer-Navarro, M, Gori, A, Longhi, R, Rinchai, D, Lertmemongkolchai, G, Lassaux, P, Daura, X, Colombo, G, Bolognesi, M.
Deposit date:2012-08-03
Release date:2013-08-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Exploiting the Burkholderia Pseudomallei Acute Phase Antigen Bpsl2765 for Structure-Based Epitope Discovery/Design in Structural Vaccinology.
Chem.Biool., 20, 2013
4BG9
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BU of 4bg9 by Molmil
Apo form of a putative sugar kinase MK0840 from Methanopyrus kandleri (orthorhombic space group)
Descriptor: ACETATE ION, CHLORIDE ION, POTASSIUM ION, ...
Authors:Schacherl, M, Waltersperger, S.M, Baumann, U.
Deposit date:2013-03-24
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Structural Characterization of the Ribonuclease H-Like Type Askha Superfamily Kinase Mk0840 from Methanopyrus Kandleri
Acta Crystallogr.,Sect.D, 69, 2013
4B28
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BU of 4b28 by Molmil
Crystal structure of DMSP lyase RdDddP from Roseobacter denitrificans
Descriptor: FE (III) ION, METALLOPEPTIDASE, FAMILY M24, ...
Authors:Hehemann, J.H, Law, A, Redecke, L, Boraston, A.B.
Deposit date:2012-07-12
Release date:2012-07-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Structure of Rddddp from Roseobacter Denitrificans Reveals that Dmsp Lyases in the Dddp-Family are Metalloenzymes.
Plos One, 9, 2014
4B29
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Crystal structures of DMSP lyases RdDddP and RnDddQII
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, DIMETHYLSULFONIOPROPIONATE LYASE, ...
Authors:Hehemann, J.H, Law, A, Redecke, L, Boraston, A.B.
Deposit date:2012-07-12
Release date:2012-07-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal Structures of Dmsp Lyases Rddddp and Rndddqii
To be Published
4BZ8
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BU of 4bz8 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with J1038
Descriptor: (2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbohydroxamic acid, HISTONE DEACETYLASE 8, POTASSIUM ION, ...
Authors:Marek, M, Romier, C.
Deposit date:2013-07-24
Release date:2013-08-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
4B3Z
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BU of 4b3z by Molmil
Structure of the human collapsin response mediator protein-1, a lung cancer suppressor
Descriptor: DIHYDROPYRIMIDINASE-RELATED PROTEIN 1
Authors:Liu, S.H, Lin, Y.H, Huang, S.F, Niou, Y.K, Huang, L.L, Chen, Y.J.
Deposit date:2012-07-27
Release date:2013-08-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structure of Human Collapsin Response Mediator Protein 1: A Possible Role of its C-Terminal Tail.
Acta Crystallogr.,Sect.F, 71, 2015
2R0L
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BU of 2r0l by Molmil
Short Form HGFA with Inhibitory Fab75
Descriptor: Hepatocyte growth factor activator, antibody heavy chain, Fab portion only, ...
Authors:Eigenbrot, C, Shia, S.
Deposit date:2007-08-20
Release date:2007-12-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insight into distinct mechanisms of protease inhibition by antibodies.
Proc.Natl.Acad.Sci.Usa, 104, 2007
4BZ6
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BU of 4bz6 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with SAHA
Descriptor: DIMETHYLFORMAMIDE, GLYCEROL, HISTONE DEACETYLASE 8, ...
Authors:Marek, M, Romier, C.
Deposit date:2013-07-24
Release date:2013-08-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
4ANR
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BU of 4anr by Molmil
Crystal structure of soluble lytic Transglycosylase SltB1 from Pseudomonas aeruginosa
Descriptor: CALCIUM ION, SOLUBLE LYTIC TRANSGLYCOSYLASE B
Authors:Nikolaidis, I, Izore, T, Job, V, Thielens, N, Breukink, E, Dessen, A.
Deposit date:2012-03-22
Release date:2012-04-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Calcium-Dependent Complex Formation between Pbp2 and Lytic Transglycosylase Sltb1 of Pseudomonas Aeruginosa.
Microb.Drug Resist., 18, 2012
4AKX
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BU of 4akx by Molmil
Structure of the heterodimeric complex ExoU-SpcU from the type III secretion system (T3SS) of Pseudomonas aeruginosa
Descriptor: EXOU, SPCU
Authors:Gendrin, C, Contreras-Martel, C, Bouillot, S, Elsen, S, Lemaire, D, Skoufias, D.A, Huber, P, Attree, I, Dessen, A.
Deposit date:2012-02-29
Release date:2012-04-18
Last modified:2012-05-30
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structural Basis of Cytotoxicity Mediated by the Type III Secretion Toxin Exou from Pseudomonas Aeruginosa
Plos Pathog., 8, 2012
4B7D
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BU of 4b7d by Molmil
PikC bound to the 10-DML analog with the 3-(N,N-dimethylamino) propanoate anchoring group
Descriptor: CYTOCHROME P450 HYDROXYLASE PIKC, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Podust, L.M.
Deposit date:2012-08-17
Release date:2013-08-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Recognition of Synthetic Substrates by P450 Pikc
To be Published
4B7S
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BU of 4b7s by Molmil
PikC D50N mutant bound to the 10-DML analog with the 3-(N,N- dimethylamino)propanoate anchoring group
Descriptor: CYTOCHROME P450 HYDROXYLASE PIKC, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Podust, L.M.
Deposit date:2012-08-21
Release date:2013-08-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Directing Group-Controlled Regioselectivity in an Enzymatic C-H Bond Oxygenation.
J.Am.Chem.Soc., 136, 2014
4BZ7
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BU of 4bz7 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with M344
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, GLYCEROL, HISTONE DEACETYLASE 8, ...
Authors:Marek, M, Romier, C.
Deposit date:2013-07-24
Release date:2013-08-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
4BZ9
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BU of 4bz9 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with J1075
Descriptor: 3-chlorobenzothiophene-2-carbohydroxamic acid, DIMETHYLFORMAMIDE, GLYCEROL, ...
Authors:Marek, M, Romier, C.
Deposit date:2013-07-24
Release date:2013-08-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
4BZ5
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BU of 4bz5 by Molmil
Crystal structure of Schistosoma mansoni HDAC8
Descriptor: HISTONE DEACETYLASE 8, L(+)-TARTARIC ACID, POTASSIUM ION, ...
Authors:Marek, M, Romier, C.
Deposit date:2013-07-24
Release date:2013-08-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.785 Å)
Cite:Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
4CAY
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BU of 4cay by Molmil
Crystal structure of a human Anp32e-H2A.Z-H2B complex
Descriptor: ACIDIC LEUCINE-RICH NUCLEAR PHOSPHOPROTEIN 32 FAMILY MEMBER E, HISTONE H2A.Z, HISTONE H2B TYPE 1-J
Authors:Obri, A, Ouararhni, K, Papin, C, Diebold, M.-L, Padmanabhan, K, Marek, M, Stoll, I, Roy, L, Reilly, P.T, Mak, T.W, Dimitrov, S, Romier, C, Hamiche, A.
Deposit date:2013-10-09
Release date:2014-01-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Anp32E is a Histone Chaperone that Removes H2A.Z from Chromatin
Nature, 648, 2014
4AMH
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BU of 4amh by Molmil
Influence of circular permutation on the folding pathway of a PDZ domain
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DISKS LARGE HOMOLOG 1, GLYCEROL
Authors:Hultqvist, G, Punekar, A.S, Chi, C.N, Selmer, M, Gianni, S, Jemth, P.
Deposit date:2012-03-10
Release date:2012-12-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tolerance of Protein Folding to a Circular Permutation in a Pdz Domain
Plos One, 7, 2012
4AWJ
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pVHL:EloB:EloC complex, in complex with capped Hydroxyproline
Descriptor: (4R)-1-acetyl-4-hydroxy-N-methyl-L-prolinamide, ACETATE ION, ACETIC ACID, ...
Authors:Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A.
Deposit date:2012-06-04
Release date:2012-11-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
2RTU
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BU of 2rtu by Molmil
Solution structure of oxidized human HMGB1 A box
Descriptor: High mobility group protein B1
Authors:Jing, W, Tochio, N, Tate, S.
Deposit date:2013-09-12
Release date:2014-03-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Redox-sensitive structural change in the A-domain of HMGB1 and its implication for the binding to cisplatin modified DNA.
Biochem.Biophys.Res.Commun., 441, 2013
2RUH
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BU of 2ruh by Molmil
Chemical Shift Assignments for MIP and MDM2 in bound state
Descriptor: E3 ubiquitin-protein ligase Mdm2
Authors:Nagata, T, Shirakawa, K, Kobayashi, N, Shiheido, H, Horisawa, K, Katahira, M, Doi, N, Yanagawa, H.
Deposit date:2014-06-03
Release date:2014-10-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis for Inhibition of the MDM2:p53 Interaction by an Optimized MDM2-Binding Peptide Selected with mRNA Display
Plos One, 9, 2014
4ATG
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BU of 4atg by Molmil
TAF6 C-terminal domain from Antonospora locustae
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, TAF6
Authors:Romier, C.
Deposit date:2012-05-07
Release date:2012-06-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:TFIID Taf6-Taf9 Complex Formation Involves the Heat Repeat-Containing C-Terminal Domain of Taf6 and is Modulated by Taf5 Protein.
J.Biol.Chem., 287, 2012

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