Author results

4P08
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ENGINEERED THERMOSTABLE DIMERIC COCAINE ESTERASE
Descriptor:Cocaine esterase
Authors:Rodgers, D.W., Chow, K.-M., Fang, L., Zhan, C.-G.
Deposit date:2014-02-20
Release date:2014-07-16
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.341 Å)
Cite:Rational design, preparation, and characterization of a therapeutic enzyme mutant with improved stability and function for cocaine detoxification.
Acs Chem.Biol., 9, 2014
3OXI
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DESIGN AND SYNTHESIS OF DISUBSTITUTED THIOPHENE AND THIAZOLE BASED INHIBITORS OF JNK FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES
Descriptor:Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 8 interacting protein 1, methyl 3-[(thiophen-2-ylacetyl)amino]thiophene-2-carboxylate
Authors:Hom, R.K., Bowers, S., Sealy, J., Truong, A., Probst, G.D., Neitzel, M., Neitz, J., Fang, L., Brogley, L., Wu, J., Konradi, A.W., Sham, H., Toth, G., Pan, H., Yao, N., Artis, D.R.
Deposit date:2010-09-21
Release date:2011-05-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK.
Bioorg.Med.Chem.Lett., 20, 2010
5ER4
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CRYSTAL STRUCTURE OF CALCIUM-LOADED S100B BOUND TO SC0025
Descriptor:Protein S100-B, CALCIUM ION, 6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol
Authors:Cavalier, M.C., Melville, Z.E., Aligholizadeh, E., Fang, L., Alasady, M.J., Pierce, A.D., Wilder, P.T., MacKerell Jr., A.D., Weber, D.J.
Deposit date:2015-11-13
Release date:2016-06-08
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.813 Å)
Cite:Novel protein-inhibitor interactions in site 3 of Ca(2+)-bound S100B as discovered by X-ray crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
5ER5
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CRYSTAL STRUCTURE OF CALCIUM-LOADED S100B BOUND TO SC1990
Descriptor:Protein S100-B, CALCIUM ION, ETHIDIUM
Authors:Cavalier, M.C., Melville, Z.E., Aligholizadeh, E., Fang, L., Alasady, M.J., Pierce, A.D., Wilder, P.T., MacKerell Jr., A.D., Weber, D.J.
Deposit date:2015-11-13
Release date:2016-06-08
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Novel protein-inhibitor interactions in site 3 of Ca(2+)-bound S100B as discovered by X-ray crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
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
3N4L
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BACE-1 IN COMPLEX WITH ELN380842
Descriptor:Beta-secretase 1, N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide
Authors:Yao, N.H.
Deposit date:2010-05-21
Release date:2010-11-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents.
Bioorg.Med.Chem.Lett., 20, 2010
5NNW
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NLPPYA IN COMPLEX WITH GLUCOSAMINE
Descriptor:25 kDa protein elicitor, MAGNESIUM ION, D-GLUCOSAMINE
Authors:Podobnik, M., Anderluh, G., Lenarcic, T.
Deposit date:2017-04-10
Release date:2017-12-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Eudicot plant-specific sphingolipids determine host selectivity of microbial NLP cytolysins.
Science, 358, 2017
5NO9
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NLPPYA IN COMPLEX WITH MANNOSAMINE
Descriptor:25 kDa protein elicitor, MAGNESIUM ION, alpha-D-Mannosamine
Authors:Podobnik, M., Anderluh, G., Lenarcic, T.
Deposit date:2017-04-11
Release date:2017-12-27
Last modified:2018-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Eudicot plant-specific sphingolipids determine host selectivity of microbial NLP cytolysins.
Science, 358, 2017
5Y4L
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PRRSV NSP4
Descriptor:Non-structural protein
Authors:Shi, Y.J., Gang, Y., Peng, G.Q.
Deposit date:2017-08-04
Release date:2018-01-17
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Identification of two antiviral inhibitors targeting 3C-like serine/3C-like protease of porcine reproductive and respiratory syndrome virus and porcine epidemic diarrhea virus.
Vet. Microbiol., 213, 2018
5HIY
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CRYSTAL STRUCTURE OF PEDV NSP9 MUTANT-C59A
Descriptor:Non-structural protein 9
Authors:Deng, F., Peng, G.
Deposit date:2016-01-12
Release date:2017-01-25
Last modified:2019-07-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Dimerization of Coronavirus nsp9 with Diverse Modes Enhances Its Nucleic Acid Binding Affinity.
J.Virol., 92, 2018
5HIZ
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THE STRUCTURE OF PEDV NSP9
Descriptor:Non-structural protein 9
Authors:Deng, F., Peng, G.
Deposit date:2016-01-12
Release date:2017-01-25
Last modified:2019-07-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Dimerization of Coronavirus nsp9 with Diverse Modes Enhances Its Nucleic Acid Binding Affinity.
J.Virol., 92, 2018
5YM6
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CRYSTAL STRUCTURE OF PORCINE DELTA CORONAVIRUS NSP9
Descriptor:nsp9
Authors:Zeng, Z., Peng, G.Q.
Deposit date:2017-10-21
Release date:2018-06-13
Last modified:2019-07-03
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Dimerization of Coronavirus nsp9 with Diverse Modes Enhances Its Nucleic Acid Binding Affinity.
J.Virol., 92, 2018
5YM8
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CRYSTAL STRUCTURE OF PORCINE DELTA CORONAVIRUS NSP9-N7
Descriptor:nsp9
Authors:Zeng, Z., Peng, G.Q.
Deposit date:2017-10-21
Release date:2018-06-13
Last modified:2019-07-03
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Dimerization of Coronavirus nsp9 with Diverse Modes Enhances Its Nucleic Acid Binding Affinity.
J.Virol., 92, 2018
6IVC
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THE FULL LENGTH OF TGEV NSP1
Descriptor:nsp1 protein
Authors:Shen, Z., Peng, G.Q.
Deposit date:2018-12-03
Release date:2019-08-07
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A conserved region of nonstructural protein 1 from alphacoronaviruses inhibits host gene expression and is critical for viral virulence.
J.Biol.Chem., 294, 2019
6IVD
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TGEV NSP1 MUTANT - 91-95SG
Descriptor:nsp1 mutant protein
Authors:Shen, Z., Peng, G.Q.
Deposit date:2018-12-03
Release date:2019-08-07
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.975 Å)
Cite:A conserved region of nonstructural protein 1 from alphacoronaviruses inhibits host gene expression and is critical for viral virulence.
J.Biol.Chem., 294, 2019