Author results

1P8D
  • Download 1p8d
  • View 1p8d
Molmil generated image of 1p8d
X-RAY CRYSTAL STRUCTURE OF LXR LIGAND BINDING DOMAIN WITH 24(S),25-EPOXYCHOLESTEROL
Descriptor:Oxysterols receptor LXR-beta, nuclear receptor coactivator 1 isoform 3, 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL
Authors:Williams, S., Bledsoe, R.K., Collins, J.L., Boggs, S., Lambert, M.H., Miller, A.B., Moore, J., McKee, D.D., Moore, L., Nichols, J., Parks, D., Watson, M., Wisely, B., Willson, T.M.
Deposit date:2003-05-06
Release date:2003-07-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray crystal structure of the liver X receptor beta ligand binding domain: regulation by a histidine-tryptophan switch.
J.Biol.Chem., 278, 2003
3OZI
  • Download 3ozi
  • View 3ozi
Molmil generated image of 3ozi
CRYSTAL STRUCTURE OF THE TIR DOMAIN FROM THE FLAX DISEASE RESISTANCE PROTEIN L6
Descriptor:L6tr, COBALT (II) ION
Authors:Ve, T., Bernoux, M., Williams, S., Valkov, E., Warren, C., Hatters, D., Ellis, J.G., Dodds, P.N., Kobe, B.
Deposit date:2010-09-25
Release date:2011-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Functional Analysis of a Plant Resistance Protein TIR Domain Reveals Interfaces for Self-Association, Signaling, and Autoregulation.
Cell Host Microbe, 9, 2011
1M01
  • Download 1m01
  • View 1m01
Molmil generated image of 1m01
WILDTYPE STREPTOMYCES PLICATUS BETA-HEXOSAMINIDASE IN COMPLEX WITH PRODUCT (GLCNAC)
Descriptor:Beta-N-acetylhexosaminidase, N-ACETYL-D-GLUCOSAMINE, CHLORIDE ION, ...
Authors:J Williams, S., Mark, B.L., Vocadlo, D.J., James, M.N.G., Withers, S.G.
Deposit date:2002-06-11
Release date:2003-01-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aspartate 313 in the Streptomyces plicatus hexosaminidase plays a critical role in substrate-assisted catalysis by orienting the 2-acetamido group and stabilizing the transition state.
J.Biol.Chem., 277, 2002
4KAI
  • Download 4kai
  • View 4kai
Molmil generated image of 4kai
HCV NS5B GT1B N316 WITH GSK5852A
Descriptor:HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
Authors:Williams, S.P., Kahler, K.M., Shotwell, J.B.
Deposit date:2013-04-22
Release date:2013-05-08
Last modified:2018-12-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KB7
  • Download 4kb7
  • View 4kb7
Molmil generated image of 4kb7
HCV NS5B GT1B N316Y WITH CMPD 32
Descriptor:HCV Polymerase, 5-cyclopropyl-2-(4-fluorophenyl)-6-[{2-[(3R)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl]ethyl}(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide
Authors:Williams, S.P., Kahler, K.M., Shotwell, J.B.
Deposit date:2013-04-23
Release date:2013-05-08
Last modified:2014-03-26
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KBI
  • Download 4kbi
  • View 4kbi
Molmil generated image of 4kbi
HCV NS5B GT1B N316Y WITH CMPD 4
Descriptor:HCV Polymerase, 5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
Authors:Williams, S.P., Kahler, K.M., Shotwell, J.B.
Deposit date:2013-04-23
Release date:2013-05-08
Last modified:2014-03-26
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KE5
  • Download 4ke5
  • View 4ke5
Molmil generated image of 4ke5
HCV NS5B GT1B N316Y WITH GSK5852
Descriptor:HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
Authors:Williams, S.P., Kahler, K.M., Shotwell, J.B.
Deposit date:2013-04-25
Release date:2013-05-15
Last modified:2014-03-26
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KHM
  • Download 4khm
  • View 4khm
Molmil generated image of 4khm
HCV NS5B GT1A WITH GSK5852
Descriptor:HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid, SULFATE ION
Authors:Williams, S.P., Kahler, K.M., Shotwell, J.B.
Deposit date:2013-04-30
Release date:2013-05-15
Last modified:2014-03-26
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KHR
  • Download 4khr
  • View 4khr
Molmil generated image of 4khr
HCV NS5B GT1A C316Y WITH GSK5852
Descriptor:NS5B RNA-dependent RNA polymerase, SULFATE ION, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
Authors:Williams, S.P., Kahler, K.M., Shotwell, J.B.
Deposit date:2013-05-01
Release date:2013-05-29
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
5M77
  • Download 5m77
  • View 5m77
Molmil generated image of 5m77
A GH76 FAMILY ENZYME STRUCTURE
Descriptor:Alpha-1,6-mannanase, 1,2-ETHANEDIOL, (2~{R},3~{S},4~{S},5~{S},6~{R})-2-[[(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methylsulfanyl]-6-(hydroxymethyl)oxane-3,4,5-triol, ...
Authors:Jin, Y., Williams, S., Davies, G.
Deposit date:2016-10-26
Release date:2017-08-09
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:An atypical interaction explains the high-affinity of a non-hydrolyzable S-linked 1,6-alpha-mannanase inhibitor.
Chem. Commun. (Camb.), 53, 2017
5N0F
  • Download 5n0f
  • View 5n0f
Molmil generated image of 5n0f
THE CATALYTIC DOMAIN, BCGH76, OF BACILLUS CIRCULANS AMAN6 IN COMPLEX WITH 1,6-MANSIFG
Descriptor:Alpha-1,6-mannanase, (2~{R},3~{S},4~{S},5~{S},6~{R})-2-[[(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methylsulfanyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Authors:Jin, Y., Williams, S., Davies, G.
Deposit date:2017-02-02
Release date:2017-08-09
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:An atypical interaction explains the high-affinity of a non-hydrolyzable S-linked 1,6-alpha-mannanase inhibitor.
Chem. Commun. (Camb.), 53, 2017
5TEB
  • Download 5teb
  • View 5teb
Molmil generated image of 5teb
CRYSTAL STRUCTURE OF THE TIR DOMAIN FROM THE ARABIDOPSIS THALIANA DISEASE RESISTANCE PROTEIN RPP1
Descriptor:Recognition of Peronospora parasitica 1
Authors:Bentham, A.R., Zhang, X., Croll, T., Williams, S., Kobe, B.
Deposit date:2016-09-20
Release date:2017-02-01
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Multiple functional self-association interfaces in plant TIR domains.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6C80
  • Download 6c80
  • View 6c80
Molmil generated image of 6c80
CRYSTAL STRUCTURE OF A FLAX CYTOKININ OXIDASE
Descriptor:cytokinin oxidase LuCKX1.1, FLAVIN-ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Wan, L., Williams, S., Kobe, B.
Deposit date:2018-01-23
Release date:2018-06-20
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural and functional insights into the modulation of the activity of a flax cytokinin oxidase by flax rust effector AvrL567-A.
Mol. Plant Pathol., 20, 2019
3F81
  • Download 3f81
  • View 3f81
Molmil generated image of 3f81
INTERACTION OF VHR WITH SA3
Descriptor:Dual specificity protein phosphatase 3, 2-(5-methyl-4-oxo-2-thioxo-2,4-dihydro-3H-1lambda~4~,3-thiazol-3-yl)ethanesulfonic acid
Authors:Wu, S., Mutelin, T., Tautz, L.
Deposit date:2008-11-11
Release date:2009-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Multidentate small-molecule inhibitors of vaccinia H1-related (VHR) phosphatase decrease proliferation of cervix cancer cells.
J.Med.Chem., 52, 2009
4ZVV
  • Download 4zvv
  • View 4zvv
Molmil generated image of 4zvv
LACTATE DEHYDROGENASE A IN COMPLEX WITH A TRISUBSTITUTED PIPERIDINE-2,4-DIONE INHIBITOR GNE-140
Descriptor:L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
Authors:Li, Y., Chen, Z., Eigenbrot, C.
Deposit date:2015-05-18
Release date:2016-05-18
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Metabolic plasticity underpins innate and acquired resistance to LDHA inhibition.
Nat.Chem.Biol., 12, 2016
5EHR
  • Download 5ehr
  • View 5ehr
Molmil generated image of 5ehr
NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITOR SHP099
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, PHOSPHATE ION
Authors:Stams, T., Fodor, M.
Deposit date:2015-10-28
Release date:2016-06-29
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.
Nature, 535, 2016
3QAS
  • Download 3qas
  • View 3qas
Molmil generated image of 3qas
STRUCTURE OF UNDECAPRENYL DIPHOSPHATE SYNTHASE
Descriptor:Undecaprenyl pyrophosphate synthase
Authors:Cao, R., Oldfield, E.
Deposit date:2011-01-11
Release date:2011-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Applying Molecular Dynamics Simulations to Identify Rarely Sampled Ligand-bound Conformational States of Undecaprenyl Pyrophosphate Synthase, an Antibacterial Target.
Chem.Biol.Drug Des., 77, 2011
6EON
  • Download 6eon
  • View 6eon
Molmil generated image of 6eon
GALACTANASE BT0290
Descriptor:Beta-galactosidase, ALPHA D-GALACTOSE, CALCIUM ION
Authors:Basle, A., Munoz, J., Gilbert, H.
Deposit date:2017-10-10
Release date:2017-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The cellular location of endo-acting galactanases confers keystone or recipient status to arabinogalactan degrading organisms of the human gut microbiota
To Be Published