Author results

1HRI
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STRUCTURE DETERMINATION OF ANTIVIRAL COMPOUND SCH 38057 COMPLEXED WITH HUMAN RHINOVIRUS 14
分子名称:HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP3), ...
著者Zhang, A., Nanni, R.G., Oren, D.A., Arnold, E.
登録日1992-10-01
公開日1993-10-31
最終更新日2012-02-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure determination of antiviral compound SCH 38057 complexed with human rhinovirus 14.
J.Mol.Biol., 230, 1993
5VB9
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IL-17A IN COMPLEX WITH PEPTIDE
分子名称:Interleukin-17A, Peptide inhibitor, 1,2-ETHANEDIOL, ...
著者Antonysamy, S., Russell, M., Zhang, A., Groshong, C., Manglicmot, D., Lu, F., Benach, J., Wasserman, S.R., Zhang, F., Afshar, S., Bina, H., Broughton, H., Chalmers, M., Dodge, J., Espada, A., Jones, S., Ting, J.P., Woodman, M.
登録日2017-03-28
公開日2018-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Utilization of peptide phage display to investigate hotspots on IL-17A and what it means for drug discovery.
PLoS ONE, 13, 2018
4I5I
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CRYSTAL STRUCTURE OF THE SIRT1 CATALYTIC DOMAIN BOUND TO NAD AND AN EX527 ANALOG
分子名称:NAD-dependent protein deacetylase sirtuin-1, (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Zhao, X., Allison, D., Condon, B., Zhang, F., Gheyi, T., Zhang, A., Ashok, S., Russell, M., Macewan, I., Qian, Y., Jamison, J.A., Luz, J.G.
登録日2012-11-28
公開日2013-01-23
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The 2.5 angstrom crystal structure of the SIRT1 catalytic domain bound to nicotinamide adenine dinucleotide (NAD+) and an indole (EX527 analogue) reveals a novel mechanism of histone deacetylase inhibition.
J.Med.Chem., 56, 2013
1VRH
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HRV14/SDZ 880-061 COMPLEX
分子名称:RHINOVIRUS 14, 2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER
著者Oren, D.A., Zhang, A., Arnold, E.
登録日1996-02-26
公開日1997-02-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synthesis and activity of piperazine-containing antirhinoviral agents and crystal structure of SDZ 880-061 bound to human rhinovirus 14.
J.Mol.Biol., 259, 1996
4MI5
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CRYSTAL STRUCTURE OF THE EZH2 SET DOMAIN
分子名称:Histone-lysine N-methyltransferase EZH2, SULFATE ION, ZINC ION
著者Antonysamy, S., Condon, B., Druzina, Z., Bonanno, J., Gheyi, T., Macewan, I., Zhang, A., Ashok, S., Russell, M., Luz, J.G.
登録日2013-08-30
公開日2014-01-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Context of Disease-Associated Mutations and Putative Mechanism of Autoinhibition Revealed by X-Ray Crystallographic Analysis of the EZH2-SET Domain.
Plos One, 8, 2013
1HRV
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HRV14/SDZ 35-682 COMPLEX
分子名称:HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP3), ...
著者Oren, D.A., Zhang, A., Arnold, E.
登録日1995-03-02
公開日1995-06-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献SDZ 35-682, a new picornavirus capsid-binding agent with potent antiviral activity.
Antiviral Res., 26, 1995
5TUD
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STRUCTURAL INSIGHTS INTO THE EXTRACELLULAR RECOGNITION OF THE HUMAN SEROTONIN 2B RECEPTOR BY AN ANTIBODY
分子名称:5-hydroxytryptamine receptor 2B,Soluble cytochrome b562 chimera, Anti-5-HT2B Fab light chain, Anti-5-HT2B Fab heavy chain, ...
著者Ishchenko, A., Wacker, D., Kapoor, M., Zhang, A., Han, G.W., Basu, S., Boutet, S., James, D., Wang, D., Weierstall, U., Liu, W., Katritch, V., Stevens, R.C., Cherezov, V.
登録日2016-11-05
公開日2017-07-26
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural insights into the extracellular recognition of the human serotonin 2B receptor by an antibody.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2QYA
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CRYSTAL STRUCTURE OF AN UNCHARACTERIZED CONSERVED PROTEIN FROM METHANOPYRUS KANDLERI
分子名称:Uncharacterized conserved protein
著者Bonanno, J.B., Zhang, A., Bain, K.T., Adams, J., Ozyurt, S., Smith, D., Wasserman, S., Sauder, J.M., Burley, S.K., Almo, S.C., New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-08-14
公開日2007-08-28
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal structure of an uncharacterized conserved protein from Methanopyrus kandleri.
To be Published
3C6F
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CRYSTAL STRUCTURE OF PROTEIN BSU07140 FROM BACILLUS SUBTILIS
分子名称:YetF protein, GLYCEROL
著者Patskovsky, Y., Min, T., Zhang, A., Adams, J., Groshong, C., Wasserman, S.R., Sauder, J.M., Burley, S.K., Almo, S.C., New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-02-04
公開日2008-02-19
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of protein Bsu07140 from Bacillus subtilis.
To be Published
4DNJ
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THE CRYSTAL STRUCTURES OF 4-METHOXYBENZOATE BOUND CYP199A2
分子名称:Putative cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, 4-METHOXYBENZOIC ACID, ...
著者Zhou, W., Bell, S.G., Yang, W., Tan, A.B.H., Zhou, R., Johnson, E.O.D., Zhang, A., Rao, Z., Wong, L.-L.
登録日2012-02-08
公開日2012-08-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structures of 4-methoxybenzoate bound CYP199A2 and CYP199A4: structural changes on substrate binding and the identification of an anion binding site
Dalton Trans, 41, 2012
4DNZ
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THE CRYSTAL STRUCTURES OF CYP199A4
分子名称:Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
著者Zhou, W., Bell, S.G., Yang, W., Tan, A.B.H., Zhou, R., Johnson, E.O.D., Zhang, A., Rao, Z., Wong, L.-L.
登録日2012-02-09
公開日2012-08-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The crystal structures of 4-methoxybenzoate bound CYP199A2 and CYP199A4: structural changes on substrate binding and the identification of an anion binding site
Dalton Trans, 41, 2012
4DO1
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THE CRYSTAL STRUCTURES OF 4-METHOXYBENZOATE BOUND CYP199A4
分子名称:Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, 4-METHOXYBENZOIC ACID, ...
著者Zhou, W., Bell, S.G., Yang, W., Tan, A.B.H., Zhou, R., Johnson, E.O.D., Zhang, A., Rao, Z., Wong, L.-L.
登録日2012-02-09
公開日2012-08-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structures of 4-methoxybenzoate bound CYP199A2 and CYP199A4: structural changes on substrate binding and the identification of an anion binding site
Dalton Trans, 41, 2012
4GQB
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CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX
分子名称:Protein arginine N-methyltransferase 5, Methylosome protein 50, Histone H4 peptide, ...
著者Antonysamy, S., Bonday, Z., Campbell, R., Doyle, B., Druzina, Z., Gheyi, T., Han, B., Jungheim, L.N., Qian, Y., Rauch, C., Russell, M., Sauder, J.M., Wasserman, S.R., Weichert, K., Willard, F.S., Zhang, A., Emtage, S.
登録日2012-08-22
公開日2012-10-17
最終更新日2018-11-21
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal structure of the human PRMT5:MEP50 complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
5KZN
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METABOTROPIC GLUTAMATE RECEPTOR
分子名称:Metabotropic glutamate receptor 2, N-ACETYL-D-GLUCOSAMINE, MAGNESIUM ION
著者Chappell, M.D., Li, R., Smith, S.C., Dressman, B.A., Tromiczak, E.G., Tripp, A.E., Blanco, M.-J., Vetman, T., Quimby, S.J., Matt, J., Britton, T., Fivush, A.M., Schkeryantz, J.M., Mayhugh, D., Erickson, J.A., Bures, M., Jaramillo, C., Carpintero, M., de Diego, J.E., Barberis, M., Garcia-Cerrada, S., Soriano, J.F., Antonysamy, S., Atwell, S., MacEwan, I., Condon, B., Bradley, C., Wang, J., Zhang, A., Conners, K., Groshong, C., Wasserman, S.R., Koss, J.W., Witkin, J.M., Li, X., Overshiner, C., Wafford, K.A., Seidel, W., Wang, X.-S., Heinz, B.A., Swanson, S., Catlow, J., Bedwell, D., Monn, J.A., Mitch, C.H., Ornstein, P.
登録日2016-07-25
公開日2016-12-28
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
5KZQ
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METABOTROPIC GLUTAMATE RECEPTOR IN COMPLEX WITH ANTAGONIST (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-AZANYL-3-[[3,4-BIS(FLUORANYL)PHENYL]SULFANYLMETHYL]-4-OXIDANYL-BICYCLO[3.1.0]HEXANE-2,6-DICARBOXYLIC ACID
分子名称:Metabotropic glutamate receptor 2, (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, N-ACETYL-D-GLUCOSAMINE
著者Chappell, M.D., Li, R., Smith, S.C., Dressman, B.A., Tromiczak, E.G., Tripp, A.E., Blanco, M.-J., Vetman, T., Quimby, S.J., Matt, J., Britton, T., Fivush, A.M., Schkeryantz, J.M., Mayhugh, D., Erickson, J.A., Bures, M., Jaramillo, C., Carpintero, M., de Diego, J.E., Barberis, M., Garcia-Cerrada, S., Soriano, J.F., Antonysamy, S., Atwell, S., MacEwan, I., Condon, B., Bradley, C., Wang, J., Zhang, A., Conners, K., Groshong, C., Wasserman, S.R., Koss, J.W., Witkin, J.M., Li, X., Overshiner, C., Wafford, K.A., Seidel, W., Wang, X.-S., Heinz, B.A., Swanson, S., Catlow, J., Bedwell, D., Monn, J.A., Mitch, C.H., Ornstein, P.
登録日2016-07-25
公開日2016-12-28
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
6BSZ
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HUMAN MGLU8 RECEPTOR COMPLEXED WITH GLUTAMATE
分子名称:Metabotropic glutamate receptor 8, GAMMA-L-GLUTAMIC ACID, N-ACETYL-D-GLUCOSAMINE, ...
著者Schkeryantz, J.M., Chen, Q., Ho, J.D., Atwell, S., Zhang, A., Vargas, M.C., Wang, J., Monn, J.A., Hao, J.
登録日2017-12-04
公開日2018-02-07
最終更新日2018-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Determination of L-AP4-bound human mGlu8 receptor amino terminal domain structure and the molecular basis for L-AP4's group III mGlu receptor functional potency and selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
6BT5
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HUMAN MGLU8 RECEPTOR COMPLEXED WITH L-AP4
分子名称:Metabotropic glutamate receptor 8, (2S)-2-amino-4-phosphonobutanoic acid, N-ACETYL-D-GLUCOSAMINE
著者Schkeryantz, J.M., Chen, Q., Ho, J.D., Atwell, S., Zhang, A., Vargas, M.C., Wang, J., Monn, J.A., Hao, J.
登録日2017-12-05
公開日2018-02-07
最終更新日2018-02-28
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Determination of L-AP4-bound human mGlu8 receptor amino terminal domain structure and the molecular basis for L-AP4's group III mGlu receptor functional potency and selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
4RM4
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THE CRYSTAL STRUCTURE OF THE VERSATILE CYTOCHROME P450 ENZYME CYP109B1 FROM BACILLUS SUBTILIS
分子名称:Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Zhouw, W.H., Zhang, A.L., Zhang, T., Hall, E.A., Hutchinson, S., Cryle, M.J., Wong, L.-L., Bell, S.G.
登録日2014-10-18
公開日2015-02-04
最終更新日2015-03-04
実験手法X-RAY DIFFRACTION (1.771 Å)
主引用文献The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis.
Mol Biosyst, 11, 2015
4ID8
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THE CRYSTAL STRUCTURE OF A [3FE-4S] FERREDOXIN ASSOCIATED WITH CYP194A4 FROM R. PALUSTRIS HAA2
分子名称:Putative ferredoxin, FE3-S4 CLUSTER
著者Zhou, W.H., Zhang, T., Zhang, A.L., Bell, S.G., Wong, L.-L.
登録日2012-12-11
公開日2013-12-11
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The structure of a novel electron-transfer ferredoxin from Rhodopseudomonas palustris HaA2 which contains a histidine residue in its iron-sulfur cluster-binding motif.
Acta Crystallogr.,Sect.D, 70, 2014
5C90
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STAPHYLOCOCCUS AUREUS CLPP MUTANT - Y63A
分子名称:ATP-dependent Clp protease proteolytic subunit, (4S)-2-METHYL-2,4-PENTANEDIOL
著者Ye, F., Liu, H., Zhang, J., Gan, J., Yang, C.-G.
登録日2015-06-26
公開日2016-05-25
最終更新日2016-07-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Characterization of Gain-of-Function Mutant Provides New Insights into ClpP Structure
Acs Chem.Biol., 11, 2016
1HNI
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STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN A COMPLEX WITH THE NONNUCLEOSIDE INHIBITOR ALPHA-APA R 95845 AT 2.8 ANGSTROMS RESOLUTION
分子名称:HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P66), HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P51), (2-ACETYL-5-METHYLANILINO)(2,6-DIBROMOPHENYL)ACETAMIDE
著者Ding, J., Das, K., Arnold, E.
登録日1995-02-28
公開日1995-06-03
最終更新日2012-02-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of HIV-1 reverse transcriptase in a complex with the non-nucleoside inhibitor alpha-APA R 95845 at 2.8 A resolution.
Structure, 3, 1995
3E62
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FRAGMENT BASED DISCOVERY OF JAK-2 INHIBITORS
分子名称:Tyrosine-protein kinase JAK2, 5-bromo-1H-indazol-3-amine
著者Antonysamy, S., Fang, W., Hirst, G., Park, F., Russell, M., Smyth, L., Sprengeler, P., Stappenbeck, F., Steensma, R., Thompson, D.A., Wilson, M., Wong, M., Zhang, A., Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.922 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3E63
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FRAGMENT BASED DISCOVERY OF JAK-2 INHIBITORS
分子名称:Tyrosine-protein kinase JAK2, 5-phenyl-1H-indazol-3-amine
著者Antonysamy, S., Fang, W., Hirst, G., Park, F., Russell, M., Smyth, L., Sprengeler, P., Stappenbeck, F., Steensma, R., Thompson, D.A., Wilson, M., Wong, M., Zhang, A., Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3E64
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FRAGMENT BASED DISCOVERY OF JAK-2 INHIBITORS
分子名称:Tyrosine-protein kinase JAK2, 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
著者Antonysamy, S., Fang, W., Hirst, G., Park, F., Russell, M., Smyth, L., Sprengeler, P., Stappenbeck, F., Steensma, R., Thompson, D.A., Wilson, M., Wong, M., Zhang, A., Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
5HX6
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CRYSTAL STRUCTURE OF RIP1 KINASE WITH A BENZO[B][1,4]OXAZEPIN-4-ONE
分子名称:Receptor-interacting serine/threonine-protein kinase 1, 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
著者Campobasso, N., Ward, P.
登録日2016-01-29
公開日2016-03-02
最終更新日2016-03-23
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors.
J.Med.Chem., 59, 2016
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