Author results

1ENW
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ELONGATION FACTOR TFIIS DOMAIN II
Descriptor:TRANSCRIPTION ELONGATION FACTOR S-II
Authors:Morin, P.E., Awrey, D.E., Edwards, A.M., Arrowsmith, C.H.
Deposit date:2000-03-21
Release date:2000-04-12
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Elongation factor TFIIS contains three structural domains: solution structure of domain II.
Proc.Natl.Acad.Sci.USA, 93, 1996
5E2O
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[(N-{(2E)-3-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}-L-PHENYLALANYL)AMINO]BENZOIC ACID
Descriptor:Coagulation factor XIa light chain, 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2015-10-01
Release date:2015-12-09
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5E2P
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR N-[(1S)-1-BENZYL-2-[2-[5-CHLORO-2-(TETRAZOL-1-YL)PHENYL]ETHYLAMINO]-2-OXO-ETHYL]-4-HYDROXY-2-OXO-1H-QUINOLINE-6-CARBOXAMIDE
Descriptor:Coagulation factor XIa light chain, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2015-10-01
Release date:2015-12-09
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
4X6M
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-AMINO-1H-INDAZOL-6-YL)-5-CHLORO-1H-IMIDAZOL-2-YL]-2-PHENYLETHYL}-3-[2-(AMINOMETHYL)-5-CHLOROBENZYL]UREA
Descriptor:Coagulation factor XI, light chain, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea, ...
Authors:Wei, A.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2015-04-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X6N
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-AMINO-1H-INDAZOL-6-YL)-5-CHLORO-1H-IMIDAZOL-2-YL]-2-PHENYLETHYL}-3-[5-CHLORO-2-(1H-TETRAZOL-1-YL)BENZYL]UREA
Descriptor:Coagulation factor XI, light chain, cleaved peptide, ...
Authors:Wei, A.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2015-04-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X6O
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL (4-{4-CHLORO-2-[(1S)-1-({3-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROPANOYL}AMINO)-2-PHENYLETHYL]-1H-IMIDAZOL-5-YL}PHENYL)CARBAMATE
Descriptor:Coagulation factor XI, light chain, methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate, ...
Authors:Wei, A.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2015-04-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X6P
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FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR (2E)-N-{(1S)-1-[4-(3-AMINO-1H-INDAZOL-6-YL)-1H-IMIDAZOL-2-YL]-2-PHENYLETHYL}-3-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENAMIDE
Descriptor:Coagulation factor XI, light chain, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Sheriff, S.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2015-04-01
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
5EXL
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-(AMINOMETHYL)-~{N}-[(1~{S})-1-[4-(3-OXIDANYL-1~{H}-INDAZOL-5-YL)PYRIDIN-2-YL]-2-PHENYL-ETHYL]CYCLOHEXANE-1-CARBOXAMIDE
Descriptor:Coagulation factor XIa light chain, 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2015-11-23
Release date:2016-04-13
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
5EXM
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ~{N}-[4-[2-[(1~{S})-1-[[4-(AMINOMETHYL)CYCLOHEXYL]CARBONYLAMINO]-2-PHENYL-ETHYL]PYRIDIN-4-YL]PHENYL]CARBAMATE
Descriptor:Coagulation factor XIa light chain, methyl ~{N}-[4-[2-[(1~{S})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2015-11-23
Release date:2016-04-13
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
5EXN
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FACTOR XIA (C500S [C122S]) IN COMPLEX WITH THE INHIBITOR METHYL ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-CHLORANYL-2-(1,2,3,4-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL]AMINO]-2-PHENYL-ETHYL]PYRIDIN-4-YL]PHENYL]CARBAMATE
Descriptor:Coagulation factor XIa light chain, N-ACETYL-D-GLUCOSAMINE, methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
Authors:Sheriff, S.
Deposit date:2015-11-23
Release date:2016-04-13
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
5Q0D
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL [(7S)-7-({(2E)-3-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}AMINO)-2-OXO-1,2,3,4,5,6,7,9-OCTAHYDRO-11,8-(AZENO)-1,9-BENZODIAZACYCLOTRIDECIN-14-YL]CARBAMATE
Descriptor:Coagulation factor XI, methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-05-01
Release date:2017-07-12
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
5Q0E
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL [(4S,8S)-8-({(2E)-3-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}AMINO)-4-METHYL-2-OXO-1,3,4,5,6,7,8,10-OCTAHYDRO-2H-12,9-(AZENO)-1,10-BENZODIAZACYCLOTETRADECIN-15-YL]CARBAMATE
Descriptor:Coagulation factor XI, methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-05-01
Release date:2017-07-12
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
5Q0F
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL [(4R,5E,8S)-8-({(2E)-3-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}AMINO)-4-METHYL-2-OXO-1,3,4,7,8,10-HEXAHYDRO-2H-12,9-(AZENO)-1,10-BENZODIAZACYCLOTETRADECIN-15-YL]CARBAMATE
Descriptor:Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate, ...
Authors:Sheriff, S.
Deposit date:2017-05-01
Release date:2017-07-12
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
5Q0G
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL [(3R,7S)-7-({(2E)-3-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}AMINO)-3-ETHYL-2-OXO-1,2,3,4,5,6,7,9-OCTAHYDRO-11,8-(AZENO)-1,9-BENZODIAZACYCLOTRIDECIN-14-YL]CARBAMATE
Descriptor:Coagulation factor XI, methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-05-01
Release date:2017-07-12
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
5Q0H
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL [(4R,5E,8S)-11-CHLORO-8-[(2,6-DIFLUORO-4-METHYLBENZENE-1-CARBONYL)AMINO]-4-METHYL-2-OXO-1,3,4,7,8,10-HEXAHYDRO-2H-12,9-(AZENO)-1,10-BENZODIAZACYCLOTETRADECIN-15-YL]CARBAMATE
Descriptor:Coagulation factor XI, methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-05-01
Release date:2017-07-12
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
5QCK
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-CHLORANYL-2-(1,2,3,4-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL]-3-PHENYL-PYRROLIDIN-2-YL]CARBONYLAMINO]BENZOIC ACID
Descriptor:Coagulation factor XI, 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-08-10
Release date:2017-11-08
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
5QCL
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-CHLORANYL-2-(1,2,3,4-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL]-3,4-DIHYDRO-1~{H}-ISOQUINOLIN-1-YL]CARBONYLAMINO]BENZOIC ACID
Descriptor:Coagulation factor XI, 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-08-10
Release date:2017-11-08
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
5QCM
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-CHLORANYL-2-FLUORANYL-6-(1,2,3,4-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL]-3,4-DIHYDRO-1~{H}-ISOQUINOLIN-1-YL]CARBONYLAMINO]PHENYL]CARBAMATE
Descriptor:Coagulation factor XI, methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-08-10
Release date:2017-11-08
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
5QCN
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-CHLORANYL-2-(1,2,3,4-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL]-5-[(3~{S})-3-ETHOXYCARBONYLPIPERIDIN-1-YL]CARBONYL-3,4-DIHYDRO-1~{H}-ISOQUINOLIN-1-YL]CARBONYLAMINO]BENZOIC ACID
Descriptor:Coagulation factor XI, 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-08-10
Release date:2017-11-08
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
5TKS
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE
Descriptor:Coagulation factor XI, ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2016-10-07
Release date:2017-03-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
5TKT
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE
Descriptor:Factor XIa (Light Chain), METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2016-10-07
Release date:2017-03-01
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
5TKU
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE
Descriptor:Factor XIa (Light Chain), METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2016-10-07
Release date:2017-03-01
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
5WB6
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL [(11S)-11-({(2E)-3-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}AMINO)-6-FLUORO-2-OXO-1,3,4,10,11,13-HEXAHYDRO-2H-5,9:15,12-DI(AZENO)-1,13-BENZODIAZACYCLOHEPTADECIN-18-YL]CARBAMATE
Descriptor:Coagulation factor XI, methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-06-28
Release date:2017-08-02
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Macrocyclic factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
6C0S
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL (4-{6-[(1S)-2-[(3R)-1-ACETYLPIPERIDIN-3-YL]-1-({(2E)-3-[5-CHLORO-2- (1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}AMINO)ETHYL]-3-CHLOROPYRIDAZIN-4-YL}PHENYL) CARBAMATE
Descriptor:Coagulation factor XI, methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl)carbamate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2018-01-02
Release date:2018-03-07
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Pyridazine and pyridazinone derivatives as potent and selective factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
4WXI
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR TRANS-N-{(1S)-1-[4-(3-AMINO-2H-INDAZOL-6-YL)PYRIDIN-2-YL]-2-PHENYLETHYL}-4-(AMINOMETHYL)CYCLOHEXANECARBOXAMIDE
Descriptor:COAGULATION FACTOR XI, LIGHT CHAIN, trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide, ...
Authors:Wei, A.
Deposit date:2014-11-13
Release date:2015-01-28
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Pyridine and pyridinone-based factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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