Author results

4L7B
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STRUCTURE OF KEAP1 KELCH DOMAIN WITH (1S,2R)-2-{[(1S)-1-[(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)METHYL]-3,4-DIHYDROISOQUINOLIN-2(1H)-YL]CARBONYL}CYCLOHEXANECARBOXYLIC ACID
Descriptor:Kelch-like ECH-associated protein 1, ACETATE ION, (1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ...
Authors:Jnoff, E., Brookfield, F., Albrecht, C., Barker, J.J., Barker, O., Beaumont, E., Bromidge, S., Brooks, M., Ceska, T., Courade, J.P., Crabbe, T., Duclos, S., Fryatt, T., Jigorel, E., Kwong, J., Sands, Z., Smith, M.A.
Deposit date:2013-06-13
Release date:2014-02-19
Last modified:2014-04-23
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
4L7C
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STRUCTURE OF KEAP1 KELCH DOMAIN WITH 2-{[(1S)-2-{[(1R,2S)-2-(1H-TETRAZOL-5-YL)CYCLOHEXYL]CARBONYL}-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL]METHYL}-1H-ISOINDOLE-1,3(2H)-DIONE
Descriptor:Kelch-like ECH-associated protein 1, 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione, ACETATE ION
Authors:Jnoff, E., Brookfield, F., Albrecht, C., Barker, J.J., Barker, O., Beaumont, E., Bromidge, S., Brooks, M., Ceska, T., Courade, J.P., Crabbe, T., Duclos, S., Fryatt, T., Jigorel, E., Kwong, J., Sands, Z., Smith, M.A.
Deposit date:2013-06-13
Release date:2014-02-19
Last modified:2014-04-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
4L7D
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STRUCTURE OF KEAP1 KELCH DOMAIN WITH (1S,2R)-2-{[(1S)-5-METHYL-1-[(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)METHYL]-3,4-DIHYDROISOQUINOLIN-2(1H)-YL]CARBONYL}CYCLOHEXANECARBOXYLIC ACID
Descriptor:Kelch-like ECH-associated protein 1, (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION
Authors:Jnoff, E., Brookfield, F., Albrecht, C., Barker, J.J., Barker, O., Beaumont, E., Bromidge, S., Brooks, M., Ceska, T., Courade, J.P., Crabbe, T., Duclos, S., Fryatt, T., Jigorel, E., Kwong, J., Sands, Z., Smith, M.A.
Deposit date:2013-06-13
Release date:2014-02-19
Last modified:2014-04-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
5F72
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DE NOVO DESIGN AND CRYSTALLOGRAPHIC VALIDATION OF ANTIBODIES TARGETING A PRE-SELECTED EPITOPE
Descriptor:Kelch-like ECH-associated protein 1, Single chain Fv from a Fab
Authors:Liu, X., Taylor, R.D., Griffin, L., Coker, S., Adams, R., Ceska, T., Shi, J., Lawson, A.D.G., Baker, T.
Deposit date:2015-12-07
Release date:2016-12-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:De novo design and crystallographic validation of antibodies targeting a pre-selected epitope
To Be Published
5FUO
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EXTENDING THE HALF-LIFE OF A FAB FRAGMENT THROUGH GENERATION OF A HUMANISED ANTI-HUMAN SERUM ALBUMIN (HSA) FV DOMAIN: AN INVESTIGATION INTO THE CORRELATION BETWEEN AFFINITY AND SERUM HALF-LIFE
Descriptor:SERUM ALBUMIN, FAB HEAVY CHAIN, FAB LIGHT CHAIN
Authors:Adams, R., Ceska, T.
Deposit date:2016-01-28
Release date:2016-06-29
Last modified:2016-11-09
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Extending the Half-Life of a Fab Fragment Through Generation of a Humanized Anti-Human Serum Albumin Fv Domain: An Investigation Into the Correlation between Affinity and Serum Half-Life.
Mabs, 8, 2016
5FUZ
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EXTENDING THE HALF-LIFE OF A FAB FRAGMENT THROUGH GENERATION OF A HUMANISED ANTI-HUMAN SERUM ALBUMIN (HSA) FV DOMAIN: AN INVESTIGATION INTO THE CORRELATION BETWEEN AFFINITY AND SERUM HALF-LIFE
Descriptor:645 FAB, HEAVY CHAIN, LIGHT CHAIN
Authors:Adams, R., Ceska, T.
Deposit date:2016-02-01
Release date:2016-06-29
Last modified:2016-11-09
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Extending the Half-Life of a Fab Fragment Through Generation of a Humanized Anti-Human Serum Albumin Fv Domain: An Investigation Into the Correlation between Affinity and Serum Half-Life.
Mabs, 8, 2016
5G64
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THE COMPLEX BETWEEN HUMAN IGE-FC AND TWO ANTI-IGE FAB FRAGMENTS
Descriptor:IG EPSILON CHAIN C REGION, FAB FRAGMENT, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Davies, A.M., Allan, E.G., Keeble, A.H., Delgado, J., Cossins, B.P., Mitropoulou, A.N., Pang, M.O.Y., Ceska, T., Beavil, A.J., Craggs, G., Westwood, M., Henry, A.J., McDonnell, J.M., Sutton, B.J.
Deposit date:2016-06-14
Release date:2017-05-03
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (3.715 Å)
Cite:Allosteric mechanism of action of the therapeutic anti-IgE antibody omalizumab.
J. Biol. Chem., 292, 2017
5UIG
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CRYSTAL STRUCTURE OF ADENOSINE A2A RECEPTOR BOUND TO A NOVEL TRIAZOLE-CARBOXIMIDAMIDE ANTAGONIST
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Sun, B., Bachhawat, P., Ling-Hon Chu, M., Ceska, T., Sands, Z., Lebon, F., Kobilka, T.S., Kobilka, B.
Deposit date:2017-01-13
Release date:2017-02-08
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of the adenosine A2A receptor bound to an antagonist reveals a potential allosteric pocket.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3DPD
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ACHIEVING MULTI-ISOFORM PI3K INHIBITION IN A SERIES OF SUBSTITUTED 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINES
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
Authors:Ceska, T.A.
Deposit date:2008-07-08
Release date:2008-08-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Achieving multi-isoform PI3K inhibition in a series of substituted 3,4-dihydro-2H-benzo[1,4]oxazines
Bioorg.Med.Chem.Lett., 18, 2008
1HLO
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THE CRYSTAL STRUCTURE OF AN INTACT HUMAN MAX-DNA COMPLEX: NEW INSIGHTS INTO MECHANISMS OF TRANSCRIPTIONAL CONTROL
Descriptor:DNA (5'-D(*CP*AP*CP*CP*AP*CP*GP*TP*GP*GP*T)-3'), DNA (5'-D(*AP*CP*CP*AP*CP*GP*TP*GP*GP*TP*G)-3'), PROTEIN (TRANSCRIPTION FACTOR MAX)
Authors:Brownlie, P., Ceska, T.A., Lamers, M., Romier, C., Theo, H., Suck, D.
Deposit date:1997-09-10
Release date:1997-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The crystal structure of an intact human Max-DNA complex: new insights into mechanisms of transcriptional control.
Structure, 5, 1997
2P33
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SYNTHESIS AND SAR OF AMINOPYRIMIDINES AS NOVEL C-JUN N-TERMINAL KINASE (JNK) INHIBITORS
Descriptor:c-Jun N-terminal kinase 3, 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide
Authors:Ceska, T.A., Platt, A., Fortunato, M., Dickson, K.M., Sharpe, A.
Deposit date:2007-03-08
Release date:2007-06-19
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis and SAR of aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors
Bioorg.Med.Chem.Lett., 17, 2007
4DG6
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CRYSTAL STRUCTURE OF DOMAINS 1 AND 2 OF LRP6
Descriptor:Low-density lipoprotein receptor-related protein 6, N-ACETYL-D-GLUCOSAMINE, PHOSPHATE ION
Authors:Ceska, T.A., Doyle, C., Slocombe, P.
Deposit date:2012-01-25
Release date:2012-06-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Characterization of the interaction of sclerostin with the LRP family of Wnt co-receptors
To be Published
4N1B
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STRUCTURE OF KEAP1 KELCH DOMAIN WITH(1S,2R)-2-[(1S)-1-[(1-OXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-2-CARBONYL]CYCLOHEXANE-1-CARBOXYLIC ACID
Descriptor:Kelch-like ECH-associated protein 1, (1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION
Authors:Smith, M.A., Duclos, S., Beaumont, E., Kwong, J., Brooks, M., Barker, J., Jnoff, E., Brookfield, F., Courade, J.P., Barker, O., Fryatt, T., Albrecht, C., Bromidge, S.
Deposit date:2013-10-03
Release date:2014-02-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
6GL3
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CRYSTAL STRUCTURE OF HUMAN PHOSPHATIDYLINOSITOL 4-KINASE III BETA (PI4KIIIBETA) IN COMPLEX WITH LIGAND 44
Descriptor:Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta, (3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide
Authors:Lammens, A., Augustin, M., Steinbacher, S., Reuberson, J.
Deposit date:2018-05-22
Release date:2018-08-15
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Discovery of a Potent, Orally Bioavailable PI4KIII beta Inhibitor (UCB9608) Able To Significantly Prolong Allogeneic Organ Engraftment in Vivo.
J. Med. Chem., 61, 2018
3F66
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HUMAN C-MET KINASE IN COMPLEX WITH QUINOXALINE INHIBITOR
Descriptor:Hepatocyte growth factor receptor, 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol, GAMMA-BUTYROLACTONE, ...
Authors:Meier, C., Ceska, T.
Deposit date:2008-11-05
Release date:2008-12-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of a novel series of quinoxalines as inhibitors of c-Met kinase.
Bioorg.Med.Chem.Lett., 19, 2009
4JRA
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CRYSTAL STRUCTURE OF THE BOTULINUM NEUROTOXIN A RECEPTOR-BINDING DOMAIN IN COMPLEX WITH THE LUMINAL DOMAIN OF SV2C
Descriptor:Botulinum neurotoxin type A, Synaptic vesicle glycoprotein 2C, CHLORIDE ION, ...
Authors:Benoit, R.M., Frey, D., Wieser, M.M., Jaussi, R., Schertler, G.F.X., Capitani, G., Kammerer, R.A.
Deposit date:2013-03-21
Release date:2013-11-20
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for recognition of synaptic vesicle protein 2C by botulinum neurotoxin A.
Nature, 505, 2014
5HML
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CRYSTAL STRUCTURE OF T5 D15 PROTEIN CO-CRYSTALLIZED WITH METAL IONS
Descriptor:Exodeoxyribonuclease, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Flemming, C.S., Feng, M., Sedelnikova, S.E., Zhang, J., Rafferty, J.B., Sayers, J.R., Artymiuk, P.J.
Deposit date:2016-01-16
Release date:2016-06-01
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
5HMM
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CRYSTAL STRUCTURE OF T5 D15 PROTEIN CO-CRYSTALLIZED WITH METAL IONS
Descriptor:Exodeoxyribonuclease, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Flemming, C.S., Sedelnikova, S.E., Rafferty, J.B., Sayers, J.R., Artymiuk, P.J.
Deposit date:2016-01-16
Release date:2016-06-01
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
5HNK
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CRYSTAL STRUCTURE OF T5FEN IN COMPLEX INTACT SUBSTRATE AND METAL IONS.
Descriptor:DNA (5'-D(*AP*AP*AP*AP*GP*CP*GP*TP*AP*CP*GP*C)-3'), Exodeoxyribonuclease, MAGNESIUM ION, ...
Authors:Almalki, F.A., Feng, M., Zhang, J., Sedelnikova, S.E., Rafferty, J.B., Sayers, J.R., Artymiuk, P.J.
Deposit date:2016-01-18
Release date:2016-06-01
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
5HP4
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CRYSTAL STRUCTURE BACTERIOHAGE T5 D15 FLAP ENDONUCLEASE (D155K) PSEUDO-ENZYME-PRODUCT COMPLEX WITH DNA AND METAL IONS
Descriptor:DNA (5'-D(*GP*AP*TP*CP*TP*AP*TP*AP*TP*GP*CP*CP*AP*TP*CP*GP*G)-3'), Exodeoxyribonuclease, CALCIUM ION, ...
Authors:Almalki, F.A., Zhang, J., Sedelnikova, S.E., Rafferty, J.B., Sayers, J.R., Artymiuk, P.A.
Deposit date:2016-01-20
Release date:2016-06-01
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
5UUI
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CRYSTAL STRUCTURE OF SPIN-LABELED T77C TNFA
Descriptor:Tumor necrosis factor, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Authors:Horanyi, P.S., Dranow, D.M., Ceska, T.
Deposit date:2017-02-16
Release date:2017-08-02
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Natural Conformational Sampling of Human TNF alpha Visualized by Double Electron-Electron Resonance.
Biophys. J., 113, 2017
6FGB
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HUMAN FCRN EXTRA-CELLULAR DOMAIN COMPLEXED WITH FAB FRAGMENT OF ROZANOLIXIZUMAB
Descriptor:IgG receptor FcRn large subunit p51, Beta-2-microglobulin, 1519.g57- Light chain, ...
Authors:Sarkar, K., Ceska, T., Meier, C.
Deposit date:2018-01-10
Release date:2018-08-29
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Generation and characterization of a high affinity anti-human FcRn antibody, rozanolixizumab, and the effects of different molecular formats on the reduction of plasma IgG concentration.
MAbs, 10, 2018