Author results

4HKL
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CRYSTAL STRUCTURES OF MUTANT ENDO-BETA-1,4-XYLANASE II COMPLEXED WITH SUBSTRATE (1.15 A) AND PRODUCTS (1.6 A)
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Langan, P., Wan, Q., Coates, L., Kovalevsky, A.
Deposit date:2012-10-15
Release date:2014-01-08
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
4HK8
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CRYSTAL STRUCTURES OF MUTANT ENDO- -1,4-XYLANASE II COMPLEXED WITH SUBSTRATE (1.15 A) AND PRODUCTS (1.6 A)
Descriptor:Endo-1,4-beta-xylanase 2, BETA-D-XYLOPYRANOSE, GLYCEROL, ...
Authors:Langan, P., Wan, Q., Coates, L., Kovalevsky, A.
Deposit date:2012-10-15
Release date:2014-01-08
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.151 Å)
Cite:X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
5YSX
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STRUCTURE OF P DOMAIN OF GII.2 NOROVIRUSES
Descriptor:VP1
Authors:Duan, Z., Ao, Y.
Deposit date:2017-11-16
Release date:2018-08-08
Method:X-RAY DIFFRACTION (1.202 Å)
Cite:Genetic Analysis of Reemerging GII.P16-GII.2 Noroviruses in 2016-2017 in China.
J. Infect. Dis., 218, 2018
4XQ4
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X-RAY STRUCTURE ANALYSIS OF XYLANASE - N44D
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q., Park, J.M., Riccardi, D.M., Hanson, L.B., Fisher, Z., Smith, J.C., Ostermann, A., Schrader, T., Graham, D.E., Coates, L., Langan, P., Kovalevsky, A.Y.
Deposit date:2015-01-19
Release date:2015-09-23
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
3KUN
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X-RAY STRUCTURE OF THE METCYANO FORM OF DEHALOPEROXIDASE FROM AMPHITRITE ORNATA: EVIDENCE FOR PHOTOREDUCTIVE LYSIS OF IRON-CYANIDE BOND
Descriptor:Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, CYANIDE ION, ...
Authors:Serrano, V.S., Chen, Z., Gaff, J.F., Rose, R., Franzen, S.
Deposit date:2009-11-27
Release date:2010-06-30
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond.
Acta Crystallogr.,Sect.D, 66, 2010
3KUO
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X-RAY STRUCTURE OF THE METCYANO FORM OF DEHALOPEROXIDASE FROM AMPHITRITE ORNATA: EVIDENCE FOR PHOTOREDUCTIVE LYSIS OF IRON-CYANIDE BOND
Descriptor:Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, CYANIDE ION, ...
Authors:Serrano, V.S., Chen, Z., Gaff, J.F., Rose, R., Franzen, S.
Deposit date:2009-11-27
Release date:2010-06-30
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond.
Acta Crystallogr.,Sect.D, 66, 2010
3KFR
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HIV PROTEASE (PR) DIMER WITH INHIBITOR TL-3 BOUND AND FRAGMENT 1F1 IN THE OUTSIDE/TOP OF FLAP
Descriptor:Protease, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, BETA-MERCAPTOETHANOL, ...
Authors:Stout, C.D.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
5ZII
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CRYSTAL STRUCTURES OF MUTANT ENDO-BETA-1,4-XYLANASE II (Y88F)COMPLEXED WITH XYLOTRIOSE
Descriptor:Endo-1,4-beta-xylanase 2, BETA-D-XYLOPYRANOSE, IODIDE ION
Authors:Zhang, X., Wan, Q.
Deposit date:2018-03-15
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structures of Endo-beta-1,4-xylanase II
to be published
5ZIW
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CRYSTAL STRUCTURES OF MUTANT ENDO-BETA-1,4-XYLANASE(Y77F)
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Zhang, X., Wan, Q.
Deposit date:2018-03-17
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structures of Endo-beta-1,4-xylanase II
to be published
5ZKZ
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CRYSTAL STRUCTURES OF MUTANT ENDO-BETA-1,4-XYLANASE II(Y77F) COMPLEXED WITH XYLOTRIOSE
Descriptor:Endo-1,4-beta-xylanase 2, BETA-D-XYLOPYRANOSE, GLYCEROL, ...
Authors:Zhang, X., Wan, Q.
Deposit date:2018-03-26
Release date:2019-04-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structures of Endo-beta-1,4-xylanase II
to be published
4ZHW
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CRYSTAL STRUCTURE OF A BACTERIAL SIGNALLING PROTEIN (N-TERMINAL TRUNCATION)
Descriptor:YfiB
Authors:Li, S., Li, T., Wang, Y., Bartlam, M.
Deposit date:2015-04-27
Release date:2016-04-27
Method:X-RAY DIFFRACTION (1.391 Å)
Cite:Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015
5ZGM
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CRYSTAL STRUCTURE OF PARVALBUMIN SPVI, THE MAJOR ALLERGENS IN MUSTELUS GRISEUS
Descriptor:Parvalbumin SPVI, CALCIUM ION, SULFATE ION
Authors:Yang, R.Q., Chen, Y.L., Jin, T.C., Cao, M.J.
Deposit date:2018-03-09
Release date:2018-08-01
Last modified:2018-08-08
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Purification, Characterization, and Crystal Structure of Parvalbumins, the Major Allergens in Mustelus griseus.
J. Agric. Food Chem., 66, 2018
5ZHO
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HUMAN GROUP C ROTAVIRUS VP8*S RECOGNIZE TYPE A HISTO-BLOOD GROUP ANTIGENS AS LIGANDS
Descriptor:Outer capsid protein VP8*, N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE, ALPHA D-GALACTOSE, ...
Authors:Sun, X., Duan, Z., Qi, J.
Deposit date:2018-03-13
Release date:2018-04-11
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Human Group C Rotavirus VP8*s Recognize Type A Histo-Blood Group Antigens as Ligands.
J. Virol., 92, 2018
5YKR
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CRYSTAL STRUCTURE OF A GLUTAMATE-1-SEMIALDEHYDE-AMINOMUTASE FROM PSEUDOMONAS AERUGINOSA PAO1
Descriptor:Probable aminotransferase
Authors:Li, S., Zhang, Q., Bartlam, M.
Deposit date:2017-10-16
Release date:2018-09-26
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystal structure of a glutamate-1-semialdehyde-aminomutase from Pseudomonas aeruginosa PAO1.
Biochem. Biophys. Res. Commun., 500, 2018
4EVU
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CRYSTAL STRUCTURE OF C-TERMINAL DOMAIN OF PUTATIVE PERIPLASMIC PROTEIN YDGH FROM S. ENTERICA
Descriptor:Putative periplasmic protein ydgH, SULFATE ION, CHLORIDE ION
Authors:Michalska, K., Cui, H., Xu, X., Brown, R.N., Cort, J.R., Heffron, F., Nakayasu, E.S., Savchenko, A., Adkins, J.N., Joachimiak, A., Program for the Characterization of Secreted Effector Proteins (PCSEP), Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-04-26
Release date:2012-05-30
Last modified:2014-07-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
6DJC
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CRYSTAL STRUCTURE OF HUMAN BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4) BROMODOMAIN WITH MS645
Descriptor:Bromodomain-containing protein 4, N,N'-(decane-1,10-diyl)bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}, 1,2-ETHANEDIOL
Authors:Ren, C., Zhou, M.M.
Deposit date:2018-05-25
Release date:2018-07-25
Last modified:2018-08-15
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Spatially constrained tandem bromodomain inhibition bolsters sustained repression of BRD4 transcriptional activity for TNBC cell growth.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5HDZ
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BACE-1 IN COMPLEX WITH (7AR)-7A-(5-CYANOTHIOPHEN-2-YL)-6-(5-FLUORO-4-METHYL-6-(METHYLTHIO)PYRIMIDIN-2-YL)-3-METHYL-4-OXOOCTAHYDRO-2H-PYRROLO[3,4-D]PYRIMIDIN-2-IMINIUM
Descriptor:Beta-secretase 1, 5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile
Authors:Orth, P.
Deposit date:2016-01-05
Release date:2016-03-16
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
4HKO
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CRYSTAL STRUCTURES OF MUTANT ENDO-BETA-1,4-XYLANASE II (E177Q) IN THE APO FORM
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Langan, P., Wan, Q., Coates, L., Kovalevsky, A.
Deposit date:2012-10-15
Release date:2014-01-08
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
4MFI
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS UGPB
Descriptor:Sn-glycerol-3-phosphate ABC transporter substrate-binding protein UspB
Authors:Jiang, D., Bartlam, M., Rao, Z.
Deposit date:2013-08-28
Release date:2014-07-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural analysis of Mycobacterium tuberculosis ATP-binding cassette transporter subunit UgpB reveals specificity for glycerophosphocholine
Febs J., 281, 2014
4XQD
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X-RAY STRUCTURE ANALYSIS OF XYLANASE-WT AT PH4.0
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Wan, Q., Park, J.M., Riccardi, D.M., Hanson, L.B., Fisher, Z., Smith, J.C., Ostermann, A., Schrader, T., Graham, D.E., Coates, L., Langan, P., Kovalevsky, A.Y.
Deposit date:2015-01-19
Release date:2015-09-23
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XQW
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X-RAY STRUCTURE ANALYSIS OF XYLANASE-N44E WITH MES AT PH6.0
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Wan, Q., Park, J.M., Riccardi, D.M., Hanson, L.B., Fisher, Z., Smith, J.C., Ostermann, A., Schrader, T., Graham, D.E., Coates, L., Langan, P., Kovalevsky, A.Y.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
5IZA
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PROTEIN-PROTEIN INTERACTION
Descriptor:Adenomatous polyposis coli protein, ACE-GLY-GLY-GLU-ALA-LEU-ALA-TRP-NH2
Authors:Zhao, Y., Jiang, H., Yang, X., Jiang, F., Song, K., Zhang, J.
Deposit date:2016-03-25
Release date:2017-07-05
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5TPG
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OPTIMIZATION OF SPIROCYCLIC PROLINE TRYPTOPHANHYDROXYLASE-1 INHIBITORS
Descriptor:Tryptophan 5-hydroxylase 1, FE (III) ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Stein, A.J., Goldberg, D.R., De Lombaert, S., Holt, M.C.
Deposit date:2016-10-20
Release date:2017-01-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Optimization of spirocyclic proline tryptophan hydroxylase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5ULA
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH CYCLIC VINYLOGOUS AMIDE INHIBITOR MS402
Descriptor:Bromodomain-containing protein 4, 3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide
Authors:Plotnikov, A.N., Joshua, j., Zhou, M.-M.
Deposit date:2017-01-24
Release date:2017-03-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:BET N-terminal bromodomain inhibition selectively blocks Th17 cell differentiation and ameliorates colitis in mice.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3LJW
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CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF HUMAN POLYBROMO
Descriptor:Protein polybromo-1, ACETATE ION, SODIUM ION
Authors:Charlop-Powers, Z., Zhou, M.M., Zeng, L., Zhang, Q.
Deposit date:2010-01-26
Release date:2010-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Structural insights into selective histone H3 recognition by the human Polybromo bromodomain 2.
Cell Res., 20, 2010