Author results

6T8U
  • Download 6t8u
  • View 6t8u
Molmil generated image of 6t8u
COMPLEMENT FACTOR B IN COMPLEX WITH 5-BROMO-3-CHLORO-N-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-7-METHYL-1H-INDOL-4-AMINE
Descriptor:Complement factor B, 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine, SULFATE ION
Authors:Mainolfi, N., Ehara, T., Karki, R.G., Anderson, K., Mac Sweeney, A., Wiesmann, C., Adams, C., Liao, S.-M., Argikar, U.A., Jendza, K., Zhang, C., Powers, J., Klosowski, D.W., Crowley, M., Kawanami, T., Ding, J., April, M., Forster, C., Serrano-Wu, M., Capparelli, M., Ramqaj, R., Solovay, C., Cumin, F., Smith, T.M., Ferrara, L., Lee, W., Long, D., Prentiss, M., De Erkenez, A., Yang, L., Fang, L., Sellner, H., Sirockin, F., Valeur, E., Erbel, P., Ramage, P., Gerhartz, B., Schubart, A., Flohr, S., Gradoux, N., Feifel, R., Vogg, B., Maibaum, J., Eder, J., Sedrani, R., Harrison, R.A., Mogi, M., Jaffee, B.D., Adams, C.M.
Deposit date:2019-10-25
Release date:2020-03-04
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 2020
6T8V
  • Download 6t8v
  • View 6t8v
Molmil generated image of 6t8v
COMPLEMENT FACTOR B IN COMPLEX WITH (S)-5,7-DIMETHYL-4-((2-PHENYLPIPERIDIN-1-YL)METHYL)-1H-INDOLE
Descriptor:Complement factor B, SULFATE ION, 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, ...
Authors:Mainolfi, N., Ehara, T., Karki, R.G., Anderson, K., Mac Sweeney, A., Wiesmann, C., Adams, C., Mainolfi, N., Liao, S.-M., Argikar, U.A., Jendza, K., Zhang, C., Powers, J., Klosowski, D.W., Crowley, M., Kawanami, T., Ding, J., April, M., Forster, C., Serrano-Wu, M., Capparelli, M., Ramqaj, R., Solovay, C., Cumin, F., Smith, T.M., Ferrara, L., Lee, W., Long, D., Prentiss, M., De Erkenez, A., Yang, L., Fang, L., Sellner, H., Sirockin, F., Valeur, E., Erbel, P., Ramage, P., Gerhartz, B., Schubart, A., Flohr, S., Gradoux, N., Feifel, R., Vogg, B., Wiesmann, C., Maibaum, J., Eder, J., Sedrani, R., Harrison, R.A., Mogi, M., Jaffee, B.D., Adams, C.M.
Deposit date:2019-10-25
Release date:2020-03-04
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 2020
6T8W
  • Download 6t8w
  • View 6t8w
Molmil generated image of 6t8w
COMPLEMENT FACTOR B IN COMPLEX WITH (-)-4-(1-((5,7-DIMETHYL-1H-INDOL-4-YL)METHYL)PIPERIDIN-2-YL)BENZOIC ACID
Descriptor:Complement factor B, SULFATE ION, 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole, ...
Authors:Mainolfi, N., Ehara, T., Karki, R.G., Anderson, K., Sweeney, A.M., Wiesmann, C., Adams, C., Mainolfi, N., Liao, S.M., Argikar, U.A., Jendza, K., Zhang, C., Powers, J., Klosowski, D.W., Crowley, M., Kawanami, T., Ding, J., April, M., Forster, C., Wu, M.S., Capparelli, M., Ramqaj, R., Solovay, C., Cumin, F., Smith, T.M., Ferrara, L., Lee, W., Long, D., Prentiss, M., Erkenez, A.D., Yang, L., Fang, L., Sellner, H., Sirockin, F., Valeur, E., Erbel, P., Ramage, P., Gerhartz, B., Schubart, A., Flohr, S., Gradoux, N., Feifel, R., Vogg, B., Wiesmann, C., Maibaum, J., Eder, J., Sedrani, R., Harrison, R.A., Mogi, M., Jaffee, B.D., Adams, C.M.
Deposit date:2019-10-25
Release date:2020-03-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 2020
3M42
  • Download 3m42
  • View 3m42
Molmil generated image of 3m42
CRYSTAL STRUCTURE OF MAPKAP KINASE 2 (MK2) COMPLEXED WITH A TETRACYCLIC ATP SITE INHIBITOR
Descriptor:MAP kinase-activated protein kinase 2, MAGNESIUM ION, 2-[5-(2-methoxyethoxy)pyridin-3-yl]-8,9,10,11-tetrahydro-7H-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin-7-one
Authors:Scheufler, C., Revesz, L., Be, C., Izaac, A., Huppertz, C., Schlapbach, A., Kroemer, M.
Deposit date:2010-03-10
Release date:2011-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Novel pyrrolo[2,3-f]isoquinoline based MAPKAP-K2 (MK2) inhibitors with potent in vitro and in vivo activity
To be Published
3KGA
  • Download 3kga
  • View 3kga
Molmil generated image of 3kga
CRYSTAL STRUCTURE OF MAPKAP KINASE 2 (MK2) COMPLEXED WITH A POTENT 3-AMINOPYRAZOLE ATP SITE INHIBITOR
Descriptor:MAP kinase-activated protein kinase 2, MAGNESIUM ION, 6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one
Authors:Kroemer, M., Velcicky, J., Izaac, A., Be, C., Huppertz, C., Pflieger, D., Schlapbach, A., Scheufler, C.
Deposit date:2009-10-28
Release date:2010-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy.
Bioorg.Med.Chem.Lett., 20, 2010
3M2W
  • Download 3m2w
  • View 3m2w
Molmil generated image of 3m2w
CRYSTAL STRUCTURE OF MAPKAK KINASE 2 (MK2) COMPLEXED WITH A SPIROAZETIDINE-TETRACYCLIC ATP SITE INHIBITOR
Descriptor:MAP kinase-activated protein kinase 2, 2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one, MAGNESIUM ION
Authors:Kroemer, M., Revesz, L., Be, C., Izaac, A., Huppertz, C., Schlapbach, A., Scheufler, C.
Deposit date:2010-03-08
Release date:2010-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:In vivo and in vitro SAR of tetracyclic MAPKAP-K2 (MK2) inhibitors. Part II.
Bioorg.Med.Chem.Lett., 20, 2010
5IS5
  • Download 5is5
  • View 5is5
Molmil generated image of 5is5
DISCOVERY AND PHARMACOLOGICAL CHARACTERIZATION OF NOVEL QUINAZOLINE-BASED PI3K DELTA-SELECTIVE INHIBITORS
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile
Authors:Gutmann, S., Rummel, G., Shrestha, B.
Deposit date:2016-03-15
Release date:2016-08-10
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5ITD
  • Download 5itd
  • View 5itd
Molmil generated image of 5itd
CRYSTAL STRUCTURE OF PI3K ALPHA WITH PI3K DELTA INHIBITOR
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile
Authors:Knapp, M.S., Elling, R.A.
Deposit date:2016-03-16
Release date:2016-09-07
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.
Acs Med.Chem.Lett., 7, 2016