Author results

5ZOD
  • Download 5zod
  • View 5zod
Molmil generated image of 5zod
CRYSTAL STRUCTURE OF HFEN1 IN APO FORM
Descriptor:Flap endonuclease 1, MAGNESIUM ION, POTASSIUM ION
Authors:Han, W., Hua, Y., Zhao, Y.
Deposit date:2018-04-13
Release date:2019-01-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
5ZOE
  • Download 5zoe
  • View 5zoe
Molmil generated image of 5zoe
CRYSTAL STRUCTURE OF D181A HFEN1 IN COMPLEX WITH DNA
Descriptor:Flap endonuclease 1, DNA (5'-D(*CP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*CP*GP*TP*CP*C)-3'), ...
Authors:Han, W., Hua, Y., Zhao, Y.
Deposit date:2018-04-13
Release date:2019-01-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
5ZOF
  • Download 5zof
  • View 5zof
Molmil generated image of 5zof
CRYSTAL STRUCTURE OF D181A/R192F HFEN1 IN COMPLEX WITH DNA
Descriptor:Flap endonuclease 1, DNA (5'-D(*CP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*CP*GP*TP*CP*C)-3'), ...
Authors:Han, W., Hua, Y., Zhao, Y.
Deposit date:2018-04-13
Release date:2019-01-30
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
5ZOG
  • Download 5zog
  • View 5zog
Molmil generated image of 5zog
CRYSTAL STRUCTURE OF R192F HFEN1 IN COMPLEX WITH DNA
Descriptor:Flap endonuclease 1, DNA (5'-D(*CP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(P*TP*CP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*G)-3'), ...
Authors:Han, W., Hua, Y., Zhao, Y.
Deposit date:2018-04-13
Release date:2019-01-30
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
6C0S
  • Download 6c0s
  • View 6c0s
Molmil generated image of 6c0s
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
5QCK
  • Download 5qck
  • View 5qck
Molmil generated image of 5qck
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
  • Download 5qcl
  • View 5qcl
Molmil generated image of 5qcl
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
  • Download 5qcm
  • View 5qcm
Molmil generated image of 5qcm
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
  • Download 5qcn
  • View 5qcn
Molmil generated image of 5qcn
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
5WB6
  • Download 5wb6
  • View 5wb6
Molmil generated image of 5wb6
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
5Q0D
  • Download 5q0d
  • View 5q0d
Molmil generated image of 5q0d
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
  • Download 5q0e
  • View 5q0e
Molmil generated image of 5q0e
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
  • Download 5q0f
  • View 5q0f
Molmil generated image of 5q0f
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
  • Download 5q0g
  • View 5q0g
Molmil generated image of 5q0g
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
  • Download 5q0h
  • View 5q0h
Molmil generated image of 5q0h
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
5H7E
  • Download 5h7e
  • View 5h7e
Molmil generated image of 5h7e
CRYSTAL STRUCTURE OF NATIVE DRCPDASE
Descriptor:RNA 2',3'-cyclic phosphodiesterase, GLYCEROL, SULFATE ION
Authors:Han, W., Hua, Y., Zhao, Y.
Deposit date:2016-11-18
Release date:2017-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the RNA 2',3'-cyclic phosphodiesterase from Deinococcus radiodurans
Acta Crystallogr F Struct Biol Commun, 73, 2017
5H7F
  • Download 5h7f
  • View 5h7f
Molmil generated image of 5h7f
CRYSTAL STRUCTURE OF MN-DERIVATIVE DRCPDASE
Descriptor:RNA 2',3'-cyclic phosphodiesterase, SULFATE ION
Authors:Han, W., Hua, Y., Zhao, Y.
Deposit date:2016-11-18
Release date:2017-11-22
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal Structure of Mn-derivative drCPDase
To be published
5TKS
  • Download 5tks
  • View 5tks
Molmil generated image of 5tks
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
  • Download 5tkt
  • View 5tkt
Molmil generated image of 5tkt
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
  • Download 5tku
  • View 5tku
Molmil generated image of 5tku
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
5IIS
  • Download 5iis
  • View 5iis
Molmil generated image of 5iis
DESIGN, SYNTHESIS AND STRUCTURE ACTIVITY RELATIONSHIP OF POTENT PAN-PIM KINASE INHIBITORS DERIVED FROM THE PYRIDYL-AMIDE SCAFFOLD
Descriptor:Serine/threonine-protein kinase pim-1, DI(HYDROXYETHYL)ETHER, 3-amino-N-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide
Authors:Bellamacina, C., Bussiere, D., Burger, M.
Deposit date:2016-03-01
Release date:2016-04-06
Last modified:2016-05-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl carboxamide scaffold.
Bioorg.Med.Chem.Lett., 26, 2016
5HD8
  • Download 5hd8
  • View 5hd8
Molmil generated image of 5hd8
CRYSTAL STRUCTURE OF DISULFIDE CROSS-LINKED D417C CLC-EC1
Descriptor:H(+)/Cl(-) exchange transporter ClcA, FAB FRAGMENT (HEAVY CHAIN), FAB FRAGMENT (LIGHT CHAIN), ...
Authors:Mathews, I.I., Khantwal, C.M., Maduke, M.
Deposit date:2016-01-05
Release date:2017-01-18
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Conformational change in CLC transporters: beyond the rotation of Gluex
To be published
5FI4
  • Download 5fi4
  • View 5fi4
Molmil generated image of 5fi4
DISCOVERY OF IMIDAZO[1,2-A]-PYRIDINE INHIBITORS OF PAN-PI3 KINASES THAT ARE EFFICACIOUS IN A MOUSE XENOGRAFT MODEL
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, GLYCEROL, ...
Authors:Elling, R.A., Knapp, M.S., Han, W., Daniel, L.M., Xy, Y., Burger, M.T., Ni, Z., Smith, A., Lan, J., Williams, T., Verhagen, J., Huh, K., Merritt, H., Chan, J., Kaufman, S., Voliva, C.F., Pecchi, S.
Deposit date:2015-12-22
Release date:2016-02-03
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 26, 2016
5EXL
  • Download 5exl
  • View 5exl
Molmil generated image of 5exl
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
  • Download 5exm
  • View 5exm
Molmil generated image of 5exm
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
<123>