Author results

2VNM
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HUMAN BACE-1 IN COMPLEX WITH 3-(1,1-DIOXIDOTETRAHYDRO-2H-1,2-THIAZIN- 2-YL)-5-(ETHYLAMINO)-N-((1S,2R)-2-HYDROXY-1-(PHENYLMETHYL)-3-(((3-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)PROPYL)BENZAMIDE
Descriptor:BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
Authors:Charrier, N., Clarke, B., Cutler, L., Demont, E., Dingwall, C., Dunsdon, R., East, P., Hawkins, J., Howes, C., Hussain, I., Jeffrey, P., Maile, G., Matico, R., Mosley, J., Naylor, A., OBrien, A., Redshaw, S., Rowland, P., Soleil, V., Smith, K.J., Sweitzer, S., Theobald, P., Vesey, D., Walter, D.S., Wayne, G.
Deposit date:2008-02-05
Release date:2008-05-20
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Second Generation of Hydroxyethylamine Bace-1 Inhibitors: Optimizing Potency and Oral Bioavailability.
J.Med.Chem., 51, 2008
2VNN
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HUMAN BACE-1 IN COMPLEX WITH 7-ETHYL-N-((1S,2R)-2-HYDROXY-1-(PHENYLMETHYL)-3-(((3-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)PROPYL)-1- METHYL-3,4-DIHYDRO-1H-(1,2,5)THIADIAZEPINO(3,4,5-HI)INDOLE-9- CARBOXAMIDE 2,2-DIOXIDE
Descriptor:BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
Authors:Charrier, N., Clarke, B., Cutler, L., Demont, E., Dingwall, C., Dunsdon, R., East, P., Hawkins, J., Howes, C., Hussain, I., Jeffrey, P., Maile, G., Matico, R., Mosley, J., Naylor, A., OBrien, A., Redshaw, S., Rowland, P., Soleil, V., Smith, K.J., Sweitzer, S., Theobald, P., Vesey, D., Walter, D.S., Wayne, G.
Deposit date:2008-02-05
Release date:2008-05-20
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Second Generation of Hydroxyethylamine Bace-1 Inhibitors: Optimizing Potency and Oral Bioavailability.
J.Med.Chem., 51, 2008
3H4M
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AAA ATPASE DOMAIN OF THE PROTEASOME- ACTIVATING NUCLEOTIDASE
Descriptor:Proteasome-activating nucleotidase, ADENOSINE-5'-DIPHOSPHATE
Authors:Jeffrey, P., Zhang, F., Hu, M., Tian, G., Zhang, P., Finley, D., Shi, Y.
Deposit date:2009-04-20
Release date:2009-06-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.106 Å)
Cite:Structural Insights into the Regulatory Particle of the Proteasome from Methanocaldococcus jannaschii.
Mol.Cell, 34, 2009
1TSR
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P53 CORE DOMAIN IN COMPLEX WITH DNA
Descriptor:DNA (5'-D(*TP*TP*TP*CP*CP*TP*AP*GP*AP*CP*TP*TP*GP*CP*CP*CP*A P*AP*TP*TP*A)-3'), DNA (5'-D(*AP*TP*AP*AP*TP*TP*GP*GP*GP*CP*AP*AP*GP*TP*CP*TP*A P*GP*GP*AP*A)-3'), PROTEIN (P53 TUMOR SUPPRESSOR), ...
Authors:Cho, Y., Gorina, S., Jeffrey, P., Pavletich, N.
Deposit date:1995-07-28
Release date:1996-01-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a p53 tumor suppressor-DNA complex: understanding tumorigenic mutations.
Science, 265, 1994
3QP1
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CRYSTAL STRUCTURE OF CVIR LIGAND-BINDING DOMAIN BOUND TO THE NATIVE LIGAND C6-HSL
Descriptor:CviR transcriptional regulator, N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide
Authors:Chen, G., Swem, L., Swem, D., Stauff, D., O'Loughlin, C., Jeffrey, P., Bassler, B., Hughson, F.
Deposit date:2011-02-11
Release date:2011-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A strategy for antagonizing quorum sensing.
Mol.Cell, 42, 2011
3QP2
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CRYSTAL STRUCTURE OF CVIR LIGAND-BINDING DOMAIN BOUND TO C8-HSL
Descriptor:CviR transcriptional regulator, N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE
Authors:Chen, G., Swem, L., Swem, D., Stauff, D., O'Loughlin, C., Jeffrey, P., Bassler, B., Hughson, F.
Deposit date:2011-02-11
Release date:2011-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.638 Å)
Cite:A strategy for antagonizing quorum sensing.
Mol.Cell, 42, 2011
3QP4
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CRYSTAL STRUCTURE OF CVIR LIGAND-BINDING DOMAIN BOUND TO C10-HSL
Descriptor:CviR transcriptional regulator, N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide
Authors:Chen, G., Swem, L., Swem, D., Stauff, D., O'Loughlin, C., Jeffrey, P., Bassler, B., Hughson, F.
Deposit date:2011-02-11
Release date:2011-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A strategy for antagonizing quorum sensing.
Mol.Cell, 42, 2011
3QP5
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CRYSTAL STRUCTURE OF CVIR BOUND TO ANTAGONIST CHLOROLACTONE (CL)
Descriptor:CviR transcriptional regulator, 4-(4-chlorophenoxy)-N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide
Authors:Chen, G., Swem, L., Swem, D., Stauff, D., O'Loughlin, C., Jeffrey, P., Bassler, B., Hughson, F.
Deposit date:2011-02-11
Release date:2011-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.249 Å)
Cite:A strategy for antagonizing quorum sensing.
Mol.Cell, 42, 2011
3QP6
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CRYSTAL STRUCTURE OF CVIR (CHROMOBACTERIUM VIOLACEUM 12472) BOUND TO C6-HSL
Descriptor:CviR transcriptional regulator, N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide
Authors:Chen, G., Swem, L., Swem, D., Stauff, D., O'Loughlin, C., Jeffrey, P., Bassler, B., Hughson, F.
Deposit date:2011-02-11
Release date:2011-03-30
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:A strategy for antagonizing quorum sensing.
Mol.Cell, 42, 2011
3QP8
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CRYSTAL STRUCTURE OF CVIR (CHROMOBACTERIUM VIOLACEUM 12472) LIGAND-BINDING DOMAIN BOUND TO C10-HSL
Descriptor:CviR transcriptional regulator, N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide
Authors:Chen, G., Swem, L., Swem, D., Stauff, D., O'Loughlin, C., Jeffrey, P., Bassler, B., Hughson, F.
Deposit date:2011-02-11
Release date:2011-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A strategy for antagonizing quorum sensing.
Mol.Cell, 42, 2011
4FXM
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CRYSTAL STRUCTURE OF THE COMPLEX OF A HUMAN TELOMERIC REPEAT G-QUADRUPLEX AND N-METHYL MESOPORPHYRIN IX (P21212)
Descriptor:DNA (5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION, N-METHYLMESOPORPHYRIN
Authors:Nicoludis, J.M., Miller, S.T., Jeffrey, P., Lawton, T.J., Rosenzweig, A.C., Yatsunyk, L.A.
Deposit date:2012-07-03
Release date:2012-12-26
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Optimized End-Stacking Provides Specificity of N-Methyl Mesoporphyrin IX for Human Telomeric G-Quadruplex DNA.
J.Am.Chem.Soc., 134, 2012
4G0F
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CRYSTAL STRUCTURE OF THE COMPLEX OF A HUMAN TELOMERIC REPEAT G-QUADRUPLEX AND N-METHYL MESOPORPHYRIN IX (P6)
Descriptor:DNA (5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION, N-METHYLMESOPORPHYRIN
Authors:Nicoludis, J.M., Miller, S.T., Jeffrey, P., Lawton, T.J., Rosenzweig, A.C., Yatsunyk, L.A.
Deposit date:2012-07-09
Release date:2012-12-26
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Optimized End-Stacking Provides Specificity of N-Methyl Mesoporphyrin IX for Human Telomeric G-Quadruplex DNA.
J.Am.Chem.Soc., 134, 2012
4C66
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DISCOVERY OF EPIGENETIC REGULATOR I-BET762: LEAD OPTIMIZATION TO AFFORD A CLINICAL CANDIDATE INHIBITOR OF THE BET BROMODOMAINS
Descriptor:BROMODOMAIN-CONTAINING PROTEIN 4, 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium
Authors:Chung, C., Mirguet, O.
Deposit date:2013-09-17
Release date:2013-10-02
Last modified:2013-10-30
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains.
J.Med.Chem., 56, 2013
4C67
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DISCOVERY OF EPIGENETIC REGULATOR I-BET762: LEAD OPTIMIZATION TO AFFORD A CLINICAL CANDIDATE INHIBITOR OF THE BET BROMODOMAINS
Descriptor:BROMODOMAIN-CONTAINING PROTEIN 4, 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene, 1,2-ETHANEDIOL
Authors:Chung, C., Mirguet, O.
Deposit date:2013-09-17
Release date:2013-10-02
Last modified:2013-10-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains.
J.Med.Chem., 56, 2013
3ZYU
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH I-BET151(GSK1210151A)
Descriptor:BROMODOMAIN-CONTAINING PROTEIN 4, 1,2-ETHANEDIOL, 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE
Authors:Chung, C.W., Mirguet, O.
Deposit date:2011-08-25
Release date:2011-11-02
Last modified:2011-11-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Inhibition of Bet Recruitment to Chromatin as an Effective Treatment for Mll-Fusion Leukaemia.
Nature, 478, 2011
6MYW
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GLUCONOBACTER ENE-REDUCTASE (GLUER) MUTANT - T36A
Descriptor:N-ethylmaleimide reductase, FLAVIN MONONUCLEOTIDE, ACETATE ION, ...
Authors:Garfinkle, S.E., Jeffrey, P., Hyster, T.K.
Deposit date:2018-11-02
Release date:2019-06-26
Last modified:2019-07-03
Method:X-RAY DIFFRACTION (1.157 Å)
Cite:Photoexcitation of flavoenzymes enables a stereoselective radical cyclization.
Science, 364, 2019
6O08
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GLUCONOBACTER ENE-REDUCTASE (GLUER)
Descriptor:N-ethylmaleimide reductase, FLAVIN MONONUCLEOTIDE, SULFATE ION, ...
Authors:Garfinkle, S.E., Jeffrey, P., Hyster, T.K.
Deposit date:2019-02-15
Release date:2019-06-26
Last modified:2019-07-03
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Photoexcitation of flavoenzymes enables a stereoselective radical cyclization.
Science, 364, 2019