Author results

2CJI
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CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, CALCIUM ION, ...
Authors:Watson, N.S., Campbell, M., Chan, C., Convery, M.A., Hamblin, J.N., Kelly, H.A., King, N.P., Mason, A.M., Mitchell, C., Patel, V.K., Senger, S., Shah, G.P., Weston, H.E., Whitworth, C., Young, R.J.
Deposit date:2006-04-03
Release date:2006-05-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and Synthesis of Orally Active Pyrrolidin-2-One-Based Factor Xa Inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
2J94
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CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
Descriptor:COAGULATION FACTOR X, 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE, CALCIUM ION
Authors:Chan, C., Borthwick, A.D., Brown, D., Campbell, M., Chaudry, L., Chung, C.W., Convery, M.A., Hamblin, J.N., Johnstone, L., Kelly, H.A., Kleanthous, S., Burns-Kurtis, C.L., Patikis, A., Patel, C., Pateman, A.J., Senger, S., Shah, G.P., Toomey, J.R., Watson, N.S., Weston, H.E., Whitworth, C., Young, R.J., Zhou, P.
Deposit date:2006-11-02
Release date:2007-03-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007
2J95
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CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE, ...
Authors:Chan, C., Borthwick, A.D., Brown, D., Campbell, M., Chaudry, L., Chung, C.W., Convery, M.A., Hamblin, J.N., Johnstone, L., Kelly, H.A., Kleanthous, S., Burns-Kurtis, C.L., Patikis, A., Patel, C., Pateman, A.J., Senger, S., Shah, G.P., Toomey, J.R., Watson, N.S., Weston, H.E., Whitworth, C., Young, R.J., Zhou, P.
Deposit date:2006-11-02
Release date:2007-03-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007
4AWI
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HUMAN JNK1ALPHA KINASE WITH 4-PHENYL-7-AZAINDOLE IKK2 INHIBITOR.
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE 8, N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(1-methylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide, SULFATE ION
Authors:Chung, C., Vicentini, G., Liddle, J., Bamborough, P.
Deposit date:2012-06-03
Release date:2013-05-01
Last modified:2014-07-30
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:4-Phenyl-7-Azaindoles as Potent, Selective and Bioavailable Ikk2 Inhibitors Demonstrating Good in Vivo Efficacy.
Bioorg.Med.Chem.Lett., 22, 2012
4Y76
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FACTOR XA COMPLEX WITH GTC000401
Descriptor:Coagulation factor X, CALCIUM ION, N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide
Authors:Convery, M.A., Young, R.J., Senger, S., Hamblin, J.N., Chan, C., Toomey, J.R., Watson, N.S.
Deposit date:2015-02-13
Release date:2015-09-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
4Y79
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FACTOR XA COMPLEX WITH GTC000406
Descriptor:Coagulation factor X, CALCIUM ION, MAGNESIUM ION, ...
Authors:Convery, M.A., Young, R.J., Senger, S., Hamblin, J.N., Chan, C., Toomey, J.R., Watson, N.S.
Deposit date:2015-02-13
Release date:2015-09-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
6HAX
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CRYSTAL STRUCTURE OF PROTAC 2 IN COMPLEX WITH THE BROMODOMAIN OF HUMAN SMARCA2 AND PVHL:ELONGINC:ELONGINB
Descriptor:Probable global transcription activator SNF2L2, von Hippel-Lindau disease tumor suppressor, Elongin-C, ...
Authors:Roy, M., Bader, G., Diers, E., Trainor, N., Farnaby, W., Ciulli, A.
Deposit date:2018-08-09
Release date:2019-06-12
Last modified:2019-07-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
6HAY
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CRYSTAL STRUCTURE OF PROTAC 1 IN COMPLEX WITH THE BROMODOMAIN OF HUMAN SMARCA2 AND PVHL:ELONGINC:ELONGINB
Descriptor:Probable global transcription activator SNF2L2, von Hippel-Lindau disease tumor suppressor, Elongin-C, ...
Authors:Roy, M., Bader, G., Diers, E., Trainor, N., Farnaby, W., Ciulli, A.
Deposit date:2018-08-09
Release date:2019-06-12
Last modified:2019-07-03
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
6HAZ
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN SMARCA2 IN COMPLEX WITH SMARCA-BD LIGAND
Descriptor:Probable global transcription activator SNF2L2, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, ZINC ION
Authors:Bader, G., Steurer, S., Weiss-Puxbaum, A., Zoephel, A., Roy, M., Ciulli, A.
Deposit date:2018-08-09
Release date:2019-06-12
Last modified:2019-07-03
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
6HR2
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CRYSTAL STRUCTURE OF PROTAC 2 IN COMPLEX WITH THE BROMODOMAIN OF HUMAN SMARCA4 AND PVHL:ELONGINC:ELONGINB
Descriptor:Transcription activator BRG1, von Hippel-Lindau disease tumor suppressor, Elongin-C, ...
Authors:Roy, M., Bader, G., Diers, E., Trainor, N., Farnaby, W., Ciulli, A.
Deposit date:2018-09-26
Release date:2019-06-12
Last modified:2019-07-03
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
2J34
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CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE, ...
Authors:Senger, S., Convery, M.A., Chan, C., Watson, N.S.
Deposit date:2006-08-18
Release date:2006-09-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Arylsulfonamides: A Study of the Relationship between Activity and Conformational Preferences for a Series of Factor Xa Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2J38
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CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE, ...
Authors:Senger, S., Convery, M.A., Chan, C., Watson, N.S.
Deposit date:2006-08-18
Release date:2006-09-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Arylsulfonamides: A Study of the Relationship between Activity and Conformational Preferences for a Series of Factor Xa Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
4Y71
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FACTOR XA COMPLEX WITH GTC000398
Descriptor:Coagulation factor X, CALCIUM ION, 6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide
Authors:Convery, M.A., Young, R.J., Senger, S., Hamblin, J.N., Chan, C., Toomey, J.R., Watson, N.S.
Deposit date:2015-02-13
Release date:2015-09-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Factor Xa complex with GTC000398
To be Published
4Y7A
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FACTOR XA COMPLEX WITH GTC000422
Descriptor:Coagulation factor X, CALCIUM ION, MAGNESIUM ION, ...
Authors:Convery, M.A., Young, R.J., Senger, S., Hamblin, J.N., Chan, C., Toomey, J.R., Watson, N.S.
Deposit date:2015-02-13
Release date:2015-09-30
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Factor Xa complex with GTC000422
to be published
4Y7B
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FACTOR XA COMPLEX WITH GTC000441
Descriptor:Coagulation factor X, CALCIUM ION, 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide
Authors:Convery, M.A., Young, R.J., Senger, S., Hamblin, J.N., Chan, C., Toomey, J.R., Watson, N.S.
Deposit date:2015-02-13
Release date:2015-09-30
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Factor Xa complex with GTC000441
to be published