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4HTW
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BU of 4htw by Molmil
SIVmac239 capsid N-terminal domain
Descriptor: Gag protein
Authors:Schmidt, A.G.
Deposit date:2012-11-02
Release date:2013-05-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Gain-of-Sensitivity Mutations in a Trim5-Resistant Primary Isolate of Pathogenic SIV Identify Two Independent Conserved Determinants of Trim5alpha Specificity.
Plos Pathog., 9, 2013
4HMH
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BU of 4hmh by Molmil
Crystal structure of tankyrase 2 in complex with 7,3-dihydroxyflavone
Descriptor: 7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Narwal, M, Haikarainen, T, Lehtio, L.
Deposit date:2012-10-18
Release date:2012-10-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
3NKF
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BU of 3nkf by Molmil
Crystal structure of human ligand-free mature caspase-6 with intersubunit linker attached
Descriptor: Caspase-6
Authors:Vaidya, S, Hardy, J.A.
Deposit date:2010-06-18
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Substrate-Induced Conformational Changes Occur in All Cleaved Forms of Caspase-6.
J.Mol.Biol., 406, 2011
4HLF
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BU of 4hlf by Molmil
Crystal structure of Tankyrase 2 in complex with 7,3',4'-Trihydroxyflavone
Descriptor: 2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Narwal, M, Haikarainen, T, Lehtio, L.
Deposit date:2012-10-17
Release date:2012-10-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4M0Z
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BU of 4m0z by Molmil
Crystal structure of ITK in complex with compound 5 {4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide}
Descriptor: 4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4HLG
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BU of 4hlg by Molmil
Crystal structure of Tankyrase 2 in complex with 3'-hydroxyflavone
Descriptor: 2-(3-hydroxyphenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
Authors:Narwal, M, Haikarainen, T, Lehtio, L.
Deposit date:2012-10-17
Release date:2012-10-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4EFR
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BU of 4efr by Molmil
Bombyx mori lipoprotein 7 (crystal form II) at 2.50 A resolution
Descriptor: 30kDa protein, THIOCYANATE ION
Authors:Pietrzyk, A.J, Panjikar, S, Bujacz, A, Mueller-Dieckmann, J, Jaskolski, M, Bujacz, G.
Deposit date:2012-03-30
Release date:2012-08-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High-resolution structure of Bombyx mori lipoprotein 7: crystallographic determination of the identity of the protein and its potential role in detoxification.
Acta Crystallogr.,Sect.D, 68, 2012
4EON
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BU of 4eon by Molmil
Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with the inhibitor RO3306
Descriptor: (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
1TOM
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BU of 1tom by Molmil
ALPHA-THROMBIN COMPLEXED WITH HIRUGEN
Descriptor: ALPHA-THROMBIN, HIRUGEN, METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE
Authors:Chen, Z.
Deposit date:1996-12-06
Release date:1997-03-12
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis, evaluation, and crystallographic analysis of L-371,912: A potent and selective active-site thrombin inhibitor.
Bioorg.Med.Chem.Lett., 7, 1997
4MI7
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BU of 4mi7 by Molmil
Crystal Structure of Salmonella Effector Protein GtgE
Descriptor: Bacteriophage encoded virulence factor, SULFATE ION
Authors:Kohler, A.C, Stebbins, C.E.
Deposit date:2013-08-30
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and enzymatic characterization of a host-specificity determinant from Salmonella.
Acta Crystallogr.,Sect.D, 70, 2014
4ENF
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BU of 4enf by Molmil
Crystal structure of the cap-binding domain of polymerase basic protein 2 from influenza virus A/Puerto Rico/8/34(h1n1)
Descriptor: 1,4-BUTANEDIOL, NITRATE ION, Polymerase basic protein 2
Authors:Meng, G, Liu, Y, Zheng, X.
Deposit date:2012-04-13
Release date:2013-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structural and functional characterization of K339T substitution identified in the PB2 subunit cap-binding pocket of influenza A virus
J.Biol.Chem., 288, 2013
4HKI
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BU of 4hki by Molmil
Tankyrase 2 in complex with flavone
Descriptor: 2-PHENYL-4H-CHROMEN-4-ONE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Narwal, M, Haikarainen, T, Lehtio, L.
Deposit date:2012-10-15
Release date:2012-10-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HLH
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BU of 4hlh by Molmil
Crystal structure of Tankyrase 2 in complex with 4'-fluoroflavone
Descriptor: 2-(4-fluorophenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Narwal, M, Haikarainen, T, Lehtio, L.
Deposit date:2012-10-17
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
3NYT
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BU of 3nyt by Molmil
X-ray crystal structure of the WlbE (WpbE) aminotransferase from pseudomonas aeruginosa, mutation K185A, in complex with the PLP external aldimine adduct with UDP-3-amino-2-N-acetyl-glucuronic acid, at 1.3 angstrom resolution
Descriptor: (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name), Aminotransferase WbpE, SODIUM ION
Authors:Holden, H.M, Thoden, J.B.
Deposit date:2010-07-15
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase.
Protein Sci., 26, 2017
4I6S
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BU of 4i6s by Molmil
Structure of RSL mutant W76A in complex with L-fucose
Descriptor: 1,2-ETHANEDIOL, Putative fucose-binding lectin protein, TETRAETHYLENE GLYCOL, ...
Authors:Audfray, A, Arnaud, J, Varrot, A, Imberty, A.
Deposit date:2012-11-30
Release date:2013-07-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Reduction of lectin valency drastically changes glycolipid dynamics in membranes but not surface avidity
Acs Chem.Biol., 8, 2013
4EOR
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BU of 4eor by Molmil
Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor NU6102
Descriptor: Cyclin-A2, Cyclin-dependent kinase 2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE
Authors:Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
4EB6
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BU of 4eb6 by Molmil
Tubulin-Vinblastine: Stathmin-like complex
Descriptor: (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Ranaivoson, F.M, Gigant, B, Knossow, M.
Deposit date:2012-03-23
Release date:2012-08-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.47 Å)
Cite:Structural plasticity of tubulin assembly probed by vinca-domain ligands.
Acta Crystallogr.,Sect.D, 68, 2012
2V0B
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BU of 2v0b by Molmil
SAD Structure solution porcine pancreatic elastase from a Selenate derivative
Descriptor: CALCIUM ION, ELASTASE-1, SELENATE ION
Authors:Jakoncic, J, Stojanoff, V.
Deposit date:2007-05-11
Release date:2008-06-03
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Substitution of Sulfate in Crystallization Solution to Improve Phases
To be Published
4MTT
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BU of 4mtt by Molmil
Ni- and Zn-bound GloA2 at low resolution
Descriptor: CHLORIDE ION, GLYCEROL, Lactoylglutathione lyase, ...
Authors:Bythell-Douglas, R, Bond, C.S.
Deposit date:2013-09-20
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity.
Chemistry, 21, 2015
4D1J
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BU of 4d1j by Molmil
The structure of the GH35 beta-galactosidase Bgl35A from Cellvibrio japonicas in complex with 1-Deoxygalactonojirimycin
Descriptor: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, ACETATE ION, BETA-GALACTOSIDASE, ...
Authors:Larsbrink, J, Thompson, A.J, Lundqvist, M, Gardner, J.G, Davies, G.J, Brumer, H.
Deposit date:2014-05-02
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Complex Gene Locus Enables Xyloglucan Utilization in the Model Saprophyte Cellvibrio Japonicus.
Mol.Microbiol., 94, 2014
4HL5
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BU of 4hl5 by Molmil
Complex structure of human tankyrase 2 with 7-hydroxy -4'-methoxyflavone
Descriptor: 7-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Narwal, M, Haikarainen, T, Lehtio, L.
Deposit date:2012-10-16
Release date:2012-10-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4MYQ
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BU of 4myq by Molmil
Selective Inhibition of the Catalytic Domain Of Human Phosphodiesterase 4B With A-33
Descriptor: (4-{[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)acetic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Fox III, D, Edwards, T.E.
Deposit date:2013-09-27
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the design of selective phosphodiesterase 4B inhibitors.
Cell Signal, 26, 2014
4MVT
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BU of 4mvt by Molmil
Crystal structure of SUMO E3 Ligase PIAS3
Descriptor: CHLORIDE ION, E3 SUMO-protein ligase PIAS3, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Hu, J, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2013-09-24
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of SUMO E3 Ligase PIAS3
to be published
1FNQ
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BU of 1fnq by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE MUTANT REACTION CENTER PRO L209-> GLU FROM THE PHOTOSYNTHETIC PURPLE BACTERIUM RHODOBACTER SPHAEROIDES
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
Authors:Kuglstatter, A, Ermler, U, Michel, H, Baciou, L, Fritzsch, G.
Deposit date:2000-08-23
Release date:2001-04-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-ray structure analyses of photosynthetic reaction center variants from Rhodobacter sphaeroides: structural changes induced by point mutations at position L209 modulate electron and proton transfer.
Biochemistry, 40, 2001
4D8I
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BU of 4d8i by Molmil
High resolution structures of monomeric S. pyogenes SpeB reveals role of glycine-rich active site loop
Descriptor: ACE-AEIK-CHO ALDEHYDE (BOUND FORM), NITRATE ION, Streptopain
Authors:Gonzalez, G.E, Wolan, D.W.
Deposit date:2012-01-10
Release date:2012-06-06
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:Ultrahigh and High Resolution Structures and Mutational Analysis of Monomeric Streptococcus pyogenes SpeB Reveal a Functional Role for the Glycine-rich C-terminal Loop.
J.Biol.Chem., 287, 2012

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