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4W9G
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pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(3-methyl-4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 6)
Descriptor: (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A.
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
4W9N
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BU of 4w9n by Molmil
Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase complexed with triclosan
Descriptor: CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase, IMIDAZOLE, ...
Authors:Sippel, K.H, Vyas, N.K, Sankaran, B, Quiocho, F.A.
Deposit date:2014-08-27
Release date:2014-10-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal structure of the human Fatty Acid synthase enoyl-acyl carrier protein-reductase domain complexed with triclosan reveals allosteric protein-protein interface inhibition.
J.Biol.Chem., 289, 2014
4WAV
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BU of 4wav by Molmil
Crystal Structure of Haloquadratum walsbyi bacteriorhodopsin mutant D93N
Descriptor: Bacteriorhodopsin-I, RETINAL, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
Authors:Wang, A.H.J, Hsu, M.F, Yang, C.S, Fu, H.Y.
Deposit date:2014-09-02
Release date:2015-09-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of an acid-tolerant light-driven proton pump at 1.85 Angstroms resolution
To be published
4FPC
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Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(4-Chlorobenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(4-chlorobenzyl)amino]ethanesulfonic acid, GLYCEROL, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-22
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FQ4
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BU of 4fq4 by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(4-Fluoro-3-methylbenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(4-fluoro-3-methylbenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-25
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.843 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FL5
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BU of 4fl5 by Molmil
Crystal structure of human 14-3-3 sigma in complex with a Tau-protein peptide surrounding pS214
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Schumacher, B, Ottmann, C.
Deposit date:2012-06-14
Release date:2013-12-11
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Involvement of 14-3-3 in tubulin instability and impaired axon development is mediated by Tau.
FASEB J., 29, 2015
4WC5
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BU of 4wc5 by Molmil
Structure of tRNA-processing enzyme complex 3
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, Poly A polymerase, RNA (74-MER)
Authors:Yamashita, S, Tomita, K.
Deposit date:2014-09-04
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme.
Structure, 23, 2015
4FMV
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BU of 4fmv by Molmil
Crystal Structure Analysis of a GH30 Endoxylanase from Clostridium papyrosolvens C71
Descriptor: Glucuronoarabinoxylan endo-1,4-beta-xylanase
Authors:Bales, E.B, Smith, J.K, St John, F.J, Hurlbert, J.C.
Deposit date:2012-06-18
Release date:2013-06-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A novel member of glycoside hydrolase family 30 subfamily 8 with altered substrate specificity.
Acta Crystallogr.,Sect.D, 70, 2014
4FDG
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BU of 4fdg by Molmil
Crystal Structure of an Archaeal MCM Filament
Descriptor: Minichromosome maintenance protein MCM, ZINC ION
Authors:Slaymaker, I.M, Fu, Y, Brewster, A.B, Chen, X.S.
Deposit date:2012-05-28
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Mini-chromosome maintenance complexes form a filament to remodel DNA structure and topology.
Nucleic Acids Res., 41, 2013
4FOF
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BU of 4fof by Molmil
Crystal Structure of the blue-light absorbing form of the Thermosynechococcus elongatus PixJ GAF-domain
Descriptor: Methyl-accepting chemotaxis protein, Phycoviolobilin, blue light-absorbing form, ...
Authors:Burgie, E.S, Walker, J.M, Phillips Jr, G.N, Vierstra, R.D.
Deposit date:2012-06-20
Release date:2013-01-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.416 Å)
Cite:A Photo-Labile Thioether Linkage to Phycoviolobilin Provides the Foundation for the Blue/Green Photocycles in DXCF-Cyanobacteriochromes.
Structure, 21, 2013
4FOY
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BU of 4foy by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-(Benzylammonio)ethanesulfonate
Descriptor: 2-(benzylamino)ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-21
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.843 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FPH
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BU of 4fph by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3-Fluorobenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(3-fluorobenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-22
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.938 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FQ9
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BU of 4fq9 by Molmil
Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa
Descriptor: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, GLYCEROL, PHOSPHATE ION
Authors:Moynie, L, Mcmahon, S.A, Duthie, F.G, Naismith, J.H.
Deposit date:2012-06-25
Release date:2013-03-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural insights into the mechanism and inhibition of the beta-hydroxydecanoyl-acyl carrier protein dehydratase from Pseudomonas aeruginosa
J.Mol.Biol., 425, 2013
4FLJ
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BU of 4flj by Molmil
Human MetAP1 with bengamide analog Y08, in Mn form
Descriptor: (E,2R,3R,4S,5R)-N-[[(3S)-1-cyclopropylcarbonylpiperidin-3-yl]methyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ...
Authors:Ye, Q.Z, Xu, W.
Deposit date:2012-06-14
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases.
J.Med.Chem., 55, 2012
4W8A
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BU of 4w8a by Molmil
Crystal structure of XEG5B, a GH5 xyloglucan-specific beta-1,4-glucanase from ruminal metagenomic library, in the native form
Descriptor: Exo-xyloglucanase, GLYCEROL, SULFATE ION
Authors:Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015
4FMA
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BU of 4fma by Molmil
EspG structure
Descriptor: ACETIC ACID, EspG protein, FORMIC ACID, ...
Authors:Shao, F, Zhu, Y, Hu, L.
Deposit date:2012-06-16
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses.
Cell(Cambridge,Mass.), 150, 2012
4FRJ
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BU of 4frj by Molmil
Crystal structure of BACE1 in complex with aminooxazoline xanthene 9l
Descriptor: (4S)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
Authors:Whittington, D.A, Long, A.M.
Deposit date:2012-06-26
Release date:2012-09-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease.
J.Med.Chem., 55, 2012
4FRS
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BU of 4frs by Molmil
Structure of BACE in complex with (S)-4-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: (2Z,6S)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1H)-one, Beta-secretase 1
Authors:Orth, P.
Deposit date:2012-06-26
Release date:2012-08-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor That Affords Robust CNS A(beta) Reduction
ACS Med Chem Lett, 3, 2012
4V46
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Crystal structure of the BAFF-BAFF-R complex
Descriptor: MAGNESIUM ION, Tumor necrosis factor ligand superfamily member 13B, Tumor necrosis factor receptor superfamily member 13C
Authors:Kim, H.M, Yu, K.S, Lee, M.E, Shin, D.R, Kim, Y.S, Paik, S.G, Yoo, O.J, Lee, H, Lee, J.-O.
Deposit date:2003-03-23
Release date:2014-07-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the BAFF-BAFF-R complex and its implications for receptor activation
NAT.STRUCT.BIOL., 10, 2003
4FOB
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BU of 4fob by Molmil
Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 1
Descriptor: ALK tyrosine kinase receptor, N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide
Authors:Whittington, D.A, Epstein, L.F, Chen, H.
Deposit date:2012-06-20
Release date:2012-07-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4FOG
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BU of 4fog by Molmil
Crystal Structure of Mtb ThyA in Complex with 5-Fluoro-dUMP and 5-methyltetrahydrofolic acid
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Thymidylate synthase
Authors:Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-06-20
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: Insights into the selectivity and mode of inhibition
To be Published
4FES
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BU of 4fes by Molmil
Structure of OSH4 in complex with cholesterol analogs
Descriptor: (3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2S,6S)-6-methyl-3-oxooctan-2-yl]-1,2,3,4,7,8,9,10,11,12,13,14,15,17-tetradecahydro-16H-cyclopenta[a]phenanthren-16-one, Protein KES1
Authors:Koag, M.C, Monzingo, A.F, Cheun, Y, Lee, S.
Deposit date:2012-05-30
Release date:2013-06-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis and structure of 16,22-diketocholesterol bound to oxysterol-binding protein Osh4.
Steroids, 78, 2013
4UUP
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BU of 4uup by Molmil
Reconstructed ancestral trichomonad malate dehydrogenase in complex with NADH, SO4, and PO4
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MALATE DEHYDROGENASE, PHOSPHATE ION, ...
Authors:Steindel, P.A, Chen, E.H, Theobald, D.L.
Deposit date:2014-07-29
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.543 Å)
Cite:Gradual Neofunctionalization in the Convergent Evolution of Trichomonad Lactate and Malate Dehydrogenases.
Protein Sci., 25, 2016
4UW4
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Human galectin-7 in complex with a galactose based dendron D2-1.
Descriptor: DENDRON D2-1, GALECTIN-7
Authors:Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
Deposit date:2014-08-08
Release date:2014-11-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.766 Å)
Cite:Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
4FPK
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BU of 4fpk by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3-methylbenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(3-methylbenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-22
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012

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