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4CDQ
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CRYSTAL STRUCTURE OF HUMAN ENTEROVIRUS 71 IN COMPLEX WITH THE UNCOATING INHIBITOR GPP2
Descriptor:VP1, VP2, VP3, ...
Authors:DeColibus, L., Wang, X., Spyrou, J.A.B., Kelly, J., Ren, J., Grimes, J., Puerstinger, G., Stonehouse, N., Walter, T.S., Hu, Z., Wang, J., Li, X., Peng, W., Rowlands, D., Fry, E.E., Rao, Z., Stuart, D.I.
Deposit date:2013-11-05
Release date:2014-02-12
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
4CDU
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CRYSTAL STRUCTURE OF HUMAN ENTEROVIRUS 71 IN COMPLEX WITH THE UNCOATING INHIBITOR GPP3
Descriptor:VP1, VP2, VP3, ...
Authors:De Colibus, L., Wang, X., Spyrou, J.A.B., Kelly, J., Ren, J., Grimes, J., Puerstinger, G., Stonehouse, N., Walter, T.S., Hu, Z., Wang, J., Li, X., Peng, W., Rowlands, D., Fry, E.E., Rao, Z., Stuart, D.I.
Deposit date:2013-11-06
Release date:2014-02-12
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
4CDW
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CRYSTAL STRUCTURE OF HUMAN ENTEROVIRUS 71 IN COMPLEX WITH THE UNCOATING INHIBITOR GPP4
Descriptor:VP1, VP2, VP3, ...
Authors:De Colibus, L., Wang, X., Spyrou, J.A.B., Kelly, J., Ren, J., Grimes, J., Puerstinger, G., Stonehouse, N., Walter, T.S., Hu, Z., Wang, J., Li, X., Peng, W., Rowlands, D., Fry, E.E., Rao, Z., Stuart, D.I.
Deposit date:2013-11-06
Release date:2014-02-12
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
4CDX
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CRYSTAL STRUCTURE OF HUMAN ENTEROVIRUS 71 IN COMPLEX WITH THE UNCOATING INHIBITOR GPP12
Descriptor:VP1, VP2, VP3, ...
Authors:De Colibus, L., Wang, X., Spyrou, J.A.B., Kelly, J., Ren, J., Grimes, J., Puerstinger, G., Stonehouse, N., Walter, T.S., Hu, Z., Wang, J., Li, X., Peng, W., Rowlands, D., Fry, E.E., Rao, Z., Stuart, D.I.
Deposit date:2013-11-07
Release date:2014-02-12
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules.
Nat.Struct.Mol.Biol., 21, 2014
4CEW
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CRYSTAL STRUCTURE OF HUMAN ENTEROVIRUS 71 IN COMPLEX WITH THE UNCOATING INHIBITOR ALD
Descriptor:VP1, VP2, VP3, ...
Authors:De Colibus, L., Wang, X., Spyrou, J.A.B., Kelly, J., Ren, J., Grimes, J., Puerstinger, G., Stonehouse, N., Walter, T.S., Hu, Z., Wang, J., Li, X., Peng, W., Rowlands, D., Fry, E.E., Rao, Z., Stuart, D.I.
Deposit date:2013-11-12
Release date:2014-02-12
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules.
Nat.Struct.Mol.Biol., 21, 2014
4CEY
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CRYSTAL STRUCTURE OF HUMAN ENTEROVIRUS 71 IN COMPLEX WITH THE UNCOATING INHIBITOR NLD
Descriptor:VP1, VP2, VP3, ...
Authors:De Colibus, L., Wang, X., Spyrou, J.A.B., Kelly, J., Ren, J., Grimes, J., Puerstinger, G., Stonehouse, N., Walter, T.S., Hu, Z., Wang, J., Li, X., Peng, W., Rowlands, D., Fry, E.E., Rao, Z., Stuart, D.I.
Deposit date:2013-11-12
Release date:2014-02-12
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
5OSN
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CRYSTAL STRUCTURE OF BOVINE ENTEROVIRUS 2 DETERMINED WITH SERIAL FEMTOSECOND X-RAY CRYSTALLOGRAPHY
Descriptor:Capsid protein, SPHINGOSINE, POTASSIUM ION, ...
Authors:Roedig, P., Ginn, H.M., Pakendorf, T., Sutton, G., Harlos, K., Walter, T.S., Meyer, J., Fischer, P., Duman, R., Vartiainen, I., Reime, B., Warmer, M., Brewster, A.S., Young, I.D., Michels-Clark, T., Sauter, N.K., Kotecha, A., Kelly, J., Rowlands, D.J., Sikorsky, M., Nelson, S., Damiani, D.S., Alonso-Mori, R., Ren, J., Fry, E.E., David, C., Stuart, D.I., Wagner, A., Meents, A.
Deposit date:2017-08-17
Release date:2017-08-30
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:High-speed fixed-target serial virus crystallography.
Nat. Methods, 14, 2017
6DCG
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DISCOVERY OF MK-8353: AN ORALLY BIOAVAILABLE DUAL MECHANISM ERK INHIBITOR FOR ONCOLOGY
Descriptor:Mitogen-activated protein kinase 1, SULFATE ION, (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide
Authors:Boga, S.B., Deng, Y., Zhu, L., Nan, Y., Cooper, A., Shipps Jr., G.W., Doll, R., Shih, N., Zhu, H., Sun, R., Wang, T., Paliwal, S., Tsui, H., Gao, X., Yao, X., Desai, J., Wang, J., Alhassan, A.B., Kelly, J., Patel, M., Muppalla, K., Gudipati, S., Zhang, L., Buevich, A., Hesk, D., Carr, D., Dayananth, P., Mei, H., Cox, K., Sherborne, B., Hruza, A.W., Xiao, L., Jin, W., Long, B., Liu, G., Taylor, S.A., Kirschmeier, P., Windsor, W.T., Bishop, R., Samatar, A.A.
Deposit date:2018-05-06
Release date:2018-08-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
6I2K
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STRUCTURE OF EV71 COMPLEXED WITH ITS RECEPTOR SCARB2
Descriptor:Polyprotein, Lysosome membrane protein 2, 1-(2-aminopyridin-4-yl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one, ...
Authors:Zhou, D., Zhao, Y., Kotecha, A., Fry, E.E., Kelly, J., Wang, X., Rao, Z., Rowlands, D.J., Ren, J., Stuart, D.I.
Deposit date:2018-11-01
Release date:2018-11-28
Last modified:2019-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Unexpected mode of engagement between enterovirus 71 and its receptor SCARB2.
Nat Microbiol, 4, 2019
5L9A
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L-THREONINE DEHYDROGENASE FROM TRYPANOSOMA BRUCEI.
Descriptor:L-threonine 3-dehydrogenase, ACETATE ION
Authors:Erskine, P.T., Cooper, J.B., Adjogatse, E., Kelly, J., Wood, S.P.
Deposit date:2016-06-09
Release date:2016-06-22
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
5MQW
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HIGH-SPEED FIXED-TARGET SERIAL VIRUS CRYSTALLOGRAPHY
Descriptor:Polyhedrin, CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Roedig, P., Ginn, H.M., Pakendorf, T., Sutton, G., Harlos, K., Walter, T.S., Meyer, J., Fischer, P., Duman, R., Vartiainen, I., Reime, B., Warmer, M., Brewster, A.S., Young, I.D., Michels-Clark, T., Sauter, N.K., Sikorsky, M., Nelson, S., Damiani, D.S., Alonso-Mori, R., Ren, J., Fry, E.E., David, C., Stuart, D.I., Wagner, A., Meents, A.
Deposit date:2016-12-21
Release date:2017-06-21
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:High-speed fixed-target serial virus crystallography.
Nat. Methods, 14, 2017
6CPW
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DISCOVERY OF 3(S)-THIOMETHYL PYRROLIDINE ERK INHIBITORS FOR ONCOLOGY
Descriptor:Mitogen-activated protein kinase 1, SULFATE ION, (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide
Authors:Hruza, A., Hruza, A.
Deposit date:2018-03-14
Release date:2018-05-23
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
4BSV
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HETERODIMERIC FC ANTIBODY AZYMETRIC VARIANT 1
Descriptor:HETERODIMERIC FC ANTIBODY AZYMETRIC VARIANT 2, N-ACETYL-D-GLUCOSAMINE, ALPHA-L-FUCOSE, ...
Authors:Suits, M.D.L., Spreter, T., Cabrera, E.E., Dixit, S.B., Lario, P.I., Poon, D.K.Y., D'Angelo, I.E.P., Boulanger, M.J.
Deposit date:2013-06-11
Release date:2013-08-21
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Improving Biophysical Properties of a Bispecific Antibody Scaffold to Aid Developability: Quality by Molecular Design.
Mabs, 5, 2013
4BSW
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HETERODIMERIC FC ANTIBODY AZYMETRIC VARIANT 2
Descriptor:HETERODIMERIC FC ANTIBODY AZYMETRIC VARIANT 2, N-ACETYL-D-GLUCOSAMINE, ALPHA-L-FUCOSE, ...
Authors:Suits, M.D.L., Spreter, T., Cabrera, E.E., Dixit, S.B., Lario, P.I., Poon, D.K.Y., D'Angelo, I.E.P., Boulanger, M.J.
Deposit date:2013-06-11
Release date:2013-08-21
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Improving Biophysical Properties of a Bispecific Antibody Scaffold to Aid Developability: Quality by Molecular Design.
Mabs, 5, 2013
2NQG
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CALPAIN 1 PROTEOLYTIC CORE INACTIVATED BY WR18(S,S), AN EPOXYSUCCINYL-TYPE INHIBITOR.
Descriptor:Calpain-1 catalytic subunit, CALCIUM ION, 5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE
Authors:Cuerrier, D., Davies, P.L., Campbell, R.L., Moldoveanu, T.
Deposit date:2006-10-31
Release date:2007-01-09
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Development of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries
J.Biol.Chem., 282, 2007
2NQI
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CALPAIN 1 PROTEOLYTIC CORE INACTIVATED BY WR13(R,R), AN EPOXYSUCCINYL-TYPE INHIBITOR.
Descriptor:Calpain-1 catalytic subunit, CALCIUM ION, N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]AMINO}PENT-4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE
Authors:Cuerrier, D., Davies, P.L., Campbell, R.L., Moldoveanu, T.
Deposit date:2006-10-31
Release date:2007-01-09
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Development of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries
J.Biol.Chem., 282, 2007
3BFP
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CRYSTAL STRUCTURE OF APO-PGLD FROM CAMPYLOBACTER JEJUNI
Descriptor:Acetyltransferase, CITRATE ANION
Authors:Rangarajan, E.S., Watson, D.C., Leclerc, S., Proteau, A., Cygler, M., Matte, A., Young, N.M., Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2007-11-22
Release date:2008-01-22
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and Active Site Residues of PglD, an N-Acetyltransferase from the Bacillosamine Synthetic Pathway Required for N-Glycan Synthesis in Campylobacter jejuni.
Biochemistry, 47, 2008