Author results

5DIT
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THE FK1 DOMAIN OF FKBP51 IN COMPLEX WITH THE NEW SYNTHETIC LIGAND (1R)-3-(3,4-DIMETHOXYPHENYL)-1-F3-[2-(MORPHOLIN-4-YL)ETHOXY]PHENYLGPROPYL(2S)-1-[(2S,3R)-2-CYCLOHEXYL-3-HYDROXYBUTANOYL]PIPERIDINE-2-CARBOXYLATE
Descriptor:Peptidyl-prolyl cis-trans isomerase FKBP5, (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate
Authors:Feng, X., Sippel, C., Bracher, A., Hausch, F.
Deposit date:2015-09-01
Release date:2015-10-14
Last modified:2015-10-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Affinity Relationship Analysis of Selective FKBP51 Ligands.
J.Med.Chem., 58, 2015
4ONC
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS DECAPRENYL DIPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-640
Descriptor:Decaprenyl diphosphate synthase, [hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid)
Authors:Feng, X., Chan, H.C., Ko, T.P.
Deposit date:2014-01-28
Release date:2014-04-02
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure and Inhibition of Tuberculosinol Synthase and Decaprenyl Diphosphate Synthase from Mycobacterium tuberculosis
J.Am.Chem.Soc., 136, 2014
3VZX
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CRYSTAL STRUCTURE OF PCRB FROM BACILLUS SUBTILIS SUBAP. SUBTILIS STR. 168
Descriptor:Heptaprenylglyceryl phosphate synthase, MAGNESIUM ION, CHLORIDE ION
Authors:Ren, F., Feng, X., Ko, T.P., Huang, C.H., Hu, Y., Chan, H.C., Liu, Y.L., Wang, K., Chen, C.C., Pang, X., He, M., Li, Y., Oldfield, E., Guo, R.T.
Deposit date:2012-10-17
Release date:2012-12-26
Last modified:2013-07-31
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
3VZY
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CRYSTAL STRUCTURE OF PCRB COMPLEXED WITH G1P FROM BACILLUS SUBTILIS SUBAP. SUBTILIS STR. 168
Descriptor:Heptaprenylglyceryl phosphate synthase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Ren, F., Feng, X., Ko, T.P., Huang, C.H., Hu, Y., Chan, H.C., Liu, Y.L., Wang, K., Chen, C.C., Pang, X., He, M., Li, Y., Oldfield, E., Guo, R.T.
Deposit date:2012-10-17
Release date:2012-12-26
Last modified:2013-07-31
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
3VZZ
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CRYSTAL STRUCTURE OF PCRB COMPLEXED WITH FSPP FROM BACILLUS SUBTILIS SUBAP. SUBTILIS STR. 168
Descriptor:Heptaprenylglyceryl phosphate synthase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Ren, F., Feng, X., Ko, T.P., Huang, C.H., Hu, Y., Chan, H.C., Liu, Y.L., Wang, K., Chen, C.C., Pang, X., He, M., Li, Y., Oldfield, E., Guo, R.T.
Deposit date:2012-10-17
Release date:2012-12-26
Last modified:2013-07-31
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
3W00
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CRYSTAL STRUCTURE OF PCRB COMPLEXED WITH G1P AND FSPP FROM BACILLUS SUBTILIS SUBAP. SUBTILIS STR. 168
Descriptor:Heptaprenylglyceryl phosphate synthase, PHOSPHATE ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ...
Authors:Ren, F., Feng, X., Ko, T.P., Huang, C.H., Hu, Y., Chan, H.C., Liu, Y.L., Wang, K., Chen, C.C., Pang, X., He, M., Li, Y., Oldfield, E., Guo, R.T.
Deposit date:2012-10-17
Release date:2012-12-26
Last modified:2013-07-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
3W01
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CRYSTAL STRUCTURE OF PCRB COMPLEXED WITH PEG FROM STAPHYLOCOCCUS AUREUS SUBSP. AUREUS MU3
Descriptor:Heptaprenylglyceryl phosphate synthase, TRIETHYLENE GLYCOL
Authors:Ren, F., Feng, X., Ko, T.P., Huang, C.H., Hu, Y., Chan, H.C., Liu, Y.L., Wang, K., Chen, C.C., Pang, X., He, M., Li, Y., Oldfield, E., Guo, R.T.
Deposit date:2012-10-17
Release date:2012-12-26
Last modified:2013-07-31
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
3W02
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CRYSTAL STRUCTURE OF PCRB COMPLEXED WITH SO4 FROM STAPHYLOCOCCUS AUREUS SUBSP. AUREUS MU3
Descriptor:Heptaprenylglyceryl phosphate synthase, SULFATE ION
Authors:Ren, F., Feng, X., Ko, T.P., Huang, C.H., Hu, Y., Chan, H.C., Liu, Y.L., Wang, K., Chen, C.C., Pang, X., He, M., Li, Y., Oldfield, E., Guo, R.T.
Deposit date:2012-10-17
Release date:2012-12-26
Last modified:2013-07-31
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
3WJK
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CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI
Descriptor:Octaprenyl diphosphate synthase
Authors:Han, X., Chen, C.C., Kuo, C.J., Huang, C.H., Zheng, Y., Ko, T.P., Zhu, Z., Feng, X., Oldfield, E., Liang, P.H., Guo, R.T., Ma, Y.H.
Deposit date:2013-10-11
Release date:2014-06-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of ligand-bound octaprenyl pyrophosphate synthase from escherichia coli reveal the catalytic and chain-length determining mechanisms
Proteins, 2014
3WJN
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CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH FARNESYL S-THIOL-PYROPHOSPHATE (FSPP)
Descriptor:Octaprenyl diphosphate synthase, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE
Authors:Han, X., Chen, C.C., Kuo, C.J., Huang, C.H., Zheng, Y., Ko, T.P., Zhu, Z., Feng, X., Oldfield, E., Liang, P.H., Guo, R.T., Ma, Y.H.
Deposit date:2013-10-12
Release date:2014-06-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of ligand-bound octaprenyl pyrophosphate synthase from escherichia coli reveal the catalytic and chain-length determining mechanisms
Proteins, 2014
3WJO
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CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH ISOPENTENYL PYROPHOSPHATE (IPP)
Descriptor:Octaprenyl diphosphate synthase, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE
Authors:Han, X., Chen, C.C., Kuo, C.J., Huang, C.H., Zheng, Y., Ko, T.P., Zhu, Z., Feng, X., Oldfield, E., Liang, P.H., Guo, R.T., Ma, Y.H.
Deposit date:2013-10-12
Release date:2014-06-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structures of ligand-bound octaprenyl pyrophosphate synthase from escherichia coli reveal the catalytic and chain-length determining mechanisms
Proteins, 2014
3WE9
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THE CRYSTAL STRUCTURE OF YISP FROM BACILLUS SUBTILIS SUBSP. SUBTILIS STRAIN 168
Descriptor:Putative phytoene/squalene synthase YisP, TRIETHYLENE GLYCOL
Authors:Hu, Y., Huang, C.H., Chan, H.C., Ko, T.P., Feng, X., Oldfield, E., Guo, R.T.
Deposit date:2013-07-02
Release date:2014-07-02
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of Bacillus subtilis YisP in complex with a PEG fragment
To be Published
3WQK
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CRYSTAL STRUCTURE OF RV3378C WITH PO4
Descriptor:Diterpene synthase, PHOSPHATE ION
Authors:Chan, H.C., Feng, X., Ko, T.P., Huang, C.H., Hu, Y., Zheng, Y., Bogue, S., Nakano, C., Hoshino, T., Zhang, L., Lv, P., Liu, W., Crick, D.C., Liang, P.H., Wang, A.H., Oldfield, E., Guo, R.T.
Deposit date:2014-01-28
Release date:2014-02-19
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
3WQL
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CRYSTAL STRUCTURE OF RV3378C WITH MG2+ AND PPI
Descriptor:Diterpene synthase, MAGNESIUM ION
Authors:Chan, H.C., Feng, X., Ko, T.P., Huang, C.H., Hu, Y., Zheng, Y., Bogue, S., Nakano, C., Hoshino, T., Zhang, L., Lv, P., Liu, W., Crick, D.C., Liang, P.H., Wang, A.H., Oldfield, E., Guo, R.T.
Deposit date:2014-01-28
Release date:2014-02-19
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
3WQM
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CRYSTAL STRUCTURE OF RV3378C WITH INHIBITOR BPH-629
Descriptor:Diterpene synthase, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID, MAGNESIUM ION, ...
Authors:Chan, H.C., Feng, X., Ko, T.P., Huang, C.H., Hu, Y., Zheng, Y., Bogue, S., Nakano, C., Hoshino, T., Zhang, L., Lv, P., Liu, W., Crick, D.C., Liang, P.H., Wang, A.H., Oldfield, E., Guo, R.T.
Deposit date:2014-01-28
Release date:2014-02-26
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
3WQN
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CRYSTAL STRUCTURE OF RV3378C_Y51F WITH TPP
Descriptor:Diterpene synthase, PHOSPHATE ION, (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
Authors:Chan, H.C., Feng, X., Ko, T.P., Huang, C.H., Hu, Y., Zheng, Y., Bogue, S., Nakano, C., Hoshino, T., Zhang, L., Lv, P., Liu, W., Crick, D.C., Liang, P.H., Wang, A.H., Oldfield, E., Guo, R.T.
Deposit date:2014-01-28
Release date:2014-02-26
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
4KT8
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THE COMPLEX STRUCTURE OF RV3378C-Y51FY90F WITH SUBSTRATE, TPP
Descriptor:Diterpene synthase, PHOSPHATE ION, (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
Authors:Chan, H.C., Feng, X., Ko, T.P., Huang, C.H., Hu, Y., Zheng, Y., Bogue, S., Nakano, C., Hoshino, T., Zhang, L., Lv, P., Liu, W., Crick, D.C., Liang, P.H., Wang, A.H., Oldfield, E., Guo, R.T.
Deposit date:2013-05-20
Release date:2014-02-26
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
4Z2Z
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NEW CRYSTAL STRUCTURE OF YEAST DDI1 ASPARTYL PROTEASE REVEALS SUBSTRATE ENGAGEMENT MODE
Descriptor:DNA damage-inducible protein 1
Authors:Trempe, J.-F., Feng, X., Gehring, K.
Deposit date:2015-03-30
Release date:2016-04-13
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural studies of the yeast DNA damage-inducible protein Ddi1 reveal domain architecture of this eukaryotic protein family.
Sci Rep, 6, 2016
5DIU
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THE FK1 DOMAIN OF FKBP51 IN COMPLEX WITH THE NEW SYNTHETIC LIGAND 2-(3-((R)-1-((S)-1-((S)-2-CYCLOHEXYL-2-(3,4,5-TRIMETHOXYPHENYL)ACETYL)PIPERIDINE-2-CARBOXAMIDO)-3-(3,4-DIMETHOXYPHENYL)PROPYL)PHENOXY)ACETIC ACID
Descriptor:Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-1-[({(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid
Authors:Gaali, S., Feng, X., Sippel, C., Bracher, A., Hausch, F.
Deposit date:2015-09-01
Release date:2016-03-23
Last modified:2016-04-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51.
J.Med.Chem., 59, 2016
5DIV
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THE FK1 DOMAIN OF FKBP51 IN COMPLEX WITH THE NEW SYNTHETIC LIGAND (S)-N-(1-CARBAMOYLCYCLOPENTYL)-1-((S)-2-CYCLOHEXYL-2-(3,4,5-TRIMETHOXYPHENYL)ACETYL)PIPERIDINE-2-CARBOXAMIDE
Descriptor:Peptidyl-prolyl cis-trans isomerase FKBP5, (2S)-N-(1-carbamoylcyclopentyl)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide
Authors:Gaali, S., Feng, X., Sippel, C., Bracher, A., Hausch, F.
Deposit date:2015-09-01
Release date:2016-03-23
Last modified:2016-04-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51.
J.Med.Chem., 59, 2016
5WH5
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CRYSTAL STRUCTURE OF THE PDE4D2 CATALYTIC DOMAIN IN COMPLEX WITH INHIBITOR (R)-ZL-N-91
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, 1-[4-(difluoromethoxy)-3-{[(3R)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one, ZINC ION, ...
Authors:Wang, H.
Deposit date:2017-07-14
Release date:2018-07-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design of potent and selective inhibitors against a water-containing PDE4 specific pocket
To Be Published
5WH6
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CRYSTAL STRUCTURE OF PDE4D2 IN COMPLEX WITH INHIBITOR (S_ZL-N-91)
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, 1-[4-(difluoromethoxy)-3-{[(3S)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one, ZINC ION, ...
Authors:Ke, H., Wang, H.
Deposit date:2017-07-14
Release date:2018-07-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of potent and selective inhibitors against a water-containing PDE4 specific pocket
To Be Published
2MK5
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SOLUTION STRUCTURE OF A PROTEIN DOMAIN
Descriptor:Endolysin
Authors:Feng, Y., Gu, J.
Deposit date:2014-01-24
Release date:2014-05-28
Method:SOLUTION NMR
Cite:Structural and Biochemical Characterization Reveals LysGH15 as an Unprecedented "EF-Hand-Like" Calcium-Binding Phage Lysin
Plos Pathog., 10, 2014
4MY5
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CRYSTAL STRUCTURE OF THE AROMATIC AMINO ACID AMINOTRANSFERASE FROM STREPTOCOCCUS MUTANTS
Descriptor:Putative amino acid aminotransferase
Authors:Cong, X., Li, X., Ge, J., Feng, Y., Feng, X., Li, S.
Deposit date:2013-09-27
Release date:2014-10-01
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Crystal structure of the aromatic amino acid aminotransferase from Streptococcus mutants
Acta Crystallogr.,Sect.F, 75, 2019
4OLK
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THE CHAP DOMAIN OF LYSGH15
Descriptor:Endolysin, CALCIUM ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Gu, J., Ouyang, S., Liu, Z.J., Han, W.
Deposit date:2014-01-24
Release date:2014-05-28
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:Structural and Biochemical Characterization Reveals LysGH15 as an Unprecedented "EF-Hand-Like" Calcium-Binding Phage Lysin
Plos Pathog., 10, 2014
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