Author results

2Y7X
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THE DISCOVERY OF POTENT AND LONG-ACTING ORAL FACTOR XA INHIBITORS WITH TETRAHYDROISOQUINOLINE AND BENZAZEPINE P4 MOTIFS
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ...
Authors:Watson, N.S., Adams, C., Belton, D., Brown, D., Burns-Kurtis, C.L., Chaudry, L., Chan, C., Convery, M.A., Davies, D.E., Exall, A.M., Harling, J.D., Irving, W.R., Irvine, S., Kleanthous, S., McLay, I.M., Pateman, A.J., Patikis, A.N., Roethka, T.J., Senger, S., Stelman, G.J., Toomey, J.R., West, R.I., Whittaker, C., Zhou, P., Young, R.J.
Deposit date:2011-02-02
Release date:2011-03-16
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Discovery of Potent and Long-Acting Oral Factor Xa Inhibitors with Tetrahydroisoquinoline and Benzazepine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
2Y7Z
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STRUCTURE AND PROPERTY BASED DESIGN OF FACTOR XA INHIBITORS: PYRROLIDIN-2-ONES WITH AMINOINDANE AND PHENYLPYRROLIDINE P4 MOTIFS
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, 6-CHLORO-N-[(3S)-1-[(1S)-1-DIMETHYLAMINO-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ...
Authors:Young, R.J., Adams, C., Blows, M., Brown, D., Burns-Kurtis, C.L., Chaudry, L., Chan, C., Convery, M.A., Davies, D.E., Exall, A.M., Foster, G., Harling, J.D., Hortense, E., Irving, W.R., Irvine, S., Jackson, S., Kleanthous, S., Pateman, A.J., Patikis, A.N., Roethka, T.J., Senger, S., Stelman, G.J., Toomey, J.R., West, R.I., Whittaker, C., Zhou, P., Watson, N.S.
Deposit date:2011-02-02
Release date:2011-03-16
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
2Y80
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STRUCTURE AND PROPERTY BASED DESIGN OF FACTOR XA INHIBITORS: PYRROLIDIN-2-ONES WITH AMINOINDANE AND PHENYLPYRROLIDINE P4 MOTIFS
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ...
Authors:Young, R.J., Adams, C., Blows, M., Brown, D., Burns-Kurtis, C.L., Chaudry, L., Chan, C., Convery, M.A., Davies, D.E., Exall, A.M., Foster, G., Harling, J.D., Hortense, E., Irving, W.R., Irvine, S., Jackson, S., Kleanthous, S., Pateman, A.J., Patikis, A.N., Roethka, T.J., Senger, S., Stelman, G.J., Toomey, J.R., West, R.I., Whittaker, C., Zhou, P., Watson, N.S.
Deposit date:2011-02-02
Release date:2011-03-16
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
2Y81
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STRUCTURE AND PROPERTY BASED DESIGN OF FACTOR XA INHIBITORS: PYRROLIDIN-2-ONES WITH AMINOINDANE AND PHENYLPYRROLIDINE P4 MOTIFS
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ...
Authors:Young, R.J., Adams, C., Blows, M., Brown, D., Burns-Kurtis, C.L., Chaudry, L., Chan, C., Convery, M.A., Davies, D.E., Exall, A.M., Foster, G., Harling, J.D., Hortense, E., Irving, W.R., Irvine, S., Jackson, S., Kleanthous, S., Pateman, A.J., Patikis, A.N., Roethka, T.J., Senger, S., Stelman, G.J., Toomey, J.R., West, R.I., Whittaker, C., Zhou, P., Watson, N.S.
Deposit date:2011-02-02
Release date:2011-03-16
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
2Y82
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STRUCTURE AND PROPERTY BASED DESIGN OF FACTOR XA INHIBITORS: PYRROLIDIN-2-ONES WITH AMINOINDANE AND PHENYLPYRROLIDINE P4 MOTIFS
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ...
Authors:Young, R.J., Adams, C., Blows, M., Brown, D., Burns-Kurtis, C.L., Chaudry, L., Chan, C., Convery, M.A., Davies, D.E., Exall, A.M., Foster, G., Harling, J.D., Hortense, E., Irving, W.R., Irvine, S., Jackson, S., Kleanthous, S., Pateman, A.J., Patikis, A.N., Roethka, T.J., Senger, S., Stelman, G.J., Toomey, J.R., West, R.I., Whittaker, C., Zhou, P., Watson, N.S.
Deposit date:2011-02-02
Release date:2011-03-16
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
6QMR
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COMPLEMENT FACTOR D IN COMPLEX WITH THE INHIBITOR (S)-2-(2-((3'-(1-AMINO-2-HYDROXYETHYL)-[1,1'-BIPHENYL]-3-YL)METHOXY)PHENYL)ACETIC ACID
Descriptor:Complement factor D, 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid
Authors:Karki, R., Powers, J., Mainolfi, N., Anderson, K., Belanger, D., Liu, D., Jendza, K., Gelin, C.F., Solovay, C., Mac Sweeeny, A., Delgado, O., Crowley, M., Liao, S.-M., Argikar, U.A., Flohr, S., La Bonte, L.R., Lorthiois, E.L., Vulpetti, A., Cumin, F., Brown, A., Adams, C., Jaffee, B., Mogi, M.
Deposit date:2019-02-08
Release date:2019-04-24
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway.
J.Med.Chem., 62, 2019
6QMT
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COMPLEMENT FACTOR D IN COMPLEX WITH THE INHIBITOR 2-(2-(3'-(AMINOMETHYL)-[1,1'-BIPHENYL]-3-CARBOXAMIDO)PHENYL)ACETIC ACID
Descriptor:Complement factor D, 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid
Authors:Karki, R., Powers, J., Mainolfi, N., Anderson, K., Belanger, D., Liu, D., Jendza, K., Gelin, C.F., Solovay, C., Mac Sweeeny, A., Delgado, O., Crowley, M., Liao, S.-M., Argikar, U.A., Flohr, S., La Bonte, L.R., Lorthiois, E.L., Vulpetti, A., Cumin, F., Brown, A., Adams, C., Jaffee, B., Mogi, M.
Deposit date:2019-02-08
Release date:2019-04-24
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway.
J.Med.Chem., 62, 2019
4LMQ
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DEVELOPMENT AND PRECLINICAL CHARACTERIZATION OF A HUMANIZED ANTIBODY TARGETING CXCL12
Descriptor:Stromal cell-derived factor 1, immunoglobulin G1 heavy chain
Authors:Zhong, Z., Wang, J., Li, B., Xiang, H., Ultsch, M., Coons, M., Wong, T., Chiang, N.Y., Clark, S., Clark, R., Quintana, L., Gribling, P., Suto, E., Barck, K., Corpuz, R., Yao, J., Takkar, R., Lee, W.P., Damico-Beyer, L.A., Carano, R.D., Adams, C., Kelley, R.F., Wang, W., Ferrara, N.
Deposit date:2013-07-10
Release date:2013-08-14
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.773 Å)
Cite:Development and Preclinical Characterization of a Humanized Antibody Targeting CXCL12.
Clin.Cancer Res., 19, 2013
4OD2
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CRYSTAL STRUCTURE OF THE FAB FRAGMENT OF AN ANTI-DR5 ANTIBODY BOUND TO DR5
Descriptor:Fab fragment of drozitumab, light chain, heavy chain, ...
Authors:Hymowitz, S.G., Compaan, D.
Deposit date:2014-01-09
Release date:2014-02-05
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and functional analysis of the interaction between the agonistic monoclonal antibody Apomab and the proapoptotic receptor DR5.
Cell Death Differ., 15, 2008
6T8U
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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
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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
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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
6ATB
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CRYSTAL STRUCTURE OF HUMAN NAMPT IN COMPLEX WITH NVP-LOD812
Descriptor:Nicotinamide phosphoribosyltransferase, N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-N'-[(pyridin-3-yl)methyl]urea, GLYCEROL, ...
Authors:Weihofen, W.A., Thigale, S.
Deposit date:2017-08-28
Release date:2018-09-12
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published
6AZJ
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CRYSTAL STRUCTURE OF HUMAN NAMPT IN COMPLEX WITH NVP-LQN520
Descriptor:Nicotinamide phosphoribosyltransferase, (1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
Authors:Weihofen, W.A., Thigale, S.
Deposit date:2017-09-11
Release date:2018-09-12
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published
6B75
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CRYSTAL STRUCTURE OF HUMAN NAMPT IN COMPLEX WITH NVP-LOQ594
Descriptor:Nicotinamide phosphoribosyltransferase, 4-[(piperazin-1-yl)methyl]-N-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide
Authors:Weihofen, W.A., Thigale, S.
Deposit date:2017-10-03
Release date:2018-10-03
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published
6B76
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CRYSTAL STRUCTURE OF HUMAN NAMPT IN COMPLEX WITH NVP-LVR596
Descriptor:Nicotinamide phosphoribosyltransferase, (1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, PHOSPHATE ION
Authors:Weihofen, W.A., Thigale, S.
Deposit date:2017-10-03
Release date:2018-10-03
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published