Author results

5JLV
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RECEPTOR BINDING DOMAIN OF BOTULINUM NEUROTOXIN A IN COMPLEX WITH HUMAN GLYCOSYLATED SV2C
Descriptor:Botulinum neurotoxin type A, Synaptic vesicle glycoprotein 2C, ACETATE ION, ...
Authors:Yao, G., Zhang, S., Mahrhold, S., Lam, K., Stern, D., Bagramyan, K., Perry, K., Kalkum, M., Rummel, A., Dong, M., Jin, R.
Deposit date:2016-04-27
Release date:2016-06-15
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:N-linked glycosylation of SV2 is required for binding and uptake of botulinum neurotoxin A.
Nat.Struct.Mol.Biol., 23, 2016
5JMC
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RECEPTOR BINDING DOMAIN OF BOTULINUM NEUROTOXIN A IN COMPLEX WITH RAT SV2C
Descriptor:Botulinum neurotoxin type A, Synaptic vesicle glycoprotein 2C
Authors:Yao, G., Zhang, S., Mahrhold, S., Lam, K., Stern, D., Bagramyan, K., Perry, K., Kalkum, M., Rummel, A., Dong, M., Jin, R.
Deposit date:2016-04-28
Release date:2016-06-15
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:N-linked glycosylation of SV2 is required for binding and uptake of botulinum neurotoxin A.
Nat.Struct.Mol.Biol., 23, 2016
5L21
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CRYSTAL STRUCTURE OF BONT/A RECEPTOR BINDING DOMAIN IN COMPLEX WITH VHH C2
Descriptor:Botulinum neurotoxin type A, VHH-C2
Authors:Yao, G., Jin, R.
Deposit date:2016-07-29
Release date:2017-08-09
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A camelid single-domain antibody neutralizes botulinum neurotoxin A by blocking host receptor binding.
Sci Rep, 7, 2017
5V38
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CRYSTAL STRUCTURE OF THE RECEPTOR-BINDING DOMAIN OF BOTULINUM NEUROTOXIN TYPE HA
Descriptor:HcHA, ACETIC ACID
Authors:Yao, G., Lam, K.-H., Jin, R.
Deposit date:2017-03-06
Release date:2017-03-22
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Receptor-Binding Domain of Botulinum Neurotoxin Type HA, Also Known as Type FA or H.
Toxins (Basel), 9, 2017
3SAJ
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CRYSTAL STRUCTURE OF GLUTAMATE RECEPTOR GLUA1 AMINO TERMINAL DOMAIN
Descriptor:Glutamate receptor 1, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Jin, R., Zong, Y., Yao, G., Gu, S.
Deposit date:2011-06-02
Release date:2011-06-22
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the glutamate receptor GluA1 N-terminal domain.
Biochem.J., 438, 2011
4AFJ
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5-ARYL-4-CARBOXAMIDE-1,3-OXAZOLES: POTENT AND SELECTIVE GSK-3 INHIBITORS
Descriptor:GLYCOGEN SYNTHASE KINASE-3 BETA, PROTO-ONCOGENE FRAT1, SULFATE ION, ...
Authors:Gentile, G., Merlo, G., Pozzan, A., Bernasconi, G., Bax, B., Bamborough, P., Bridges, A., Carter, P., Neu, M., Yao, G., Brough, C., Cutler, G., Coffin, A., Belyanskaya, S.
Deposit date:2012-01-19
Release date:2012-02-29
Last modified:2012-03-07
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:5-Aryl-4-Carboxamide-1,3-Oxazoles: Potent and Selective Gsk-3 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3V64
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CRYSTAL STRUCTURE OF AGRIN AND LRP4
Descriptor:Low-density lipoprotein receptor-related protein 4, agrin, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Zong, Y., Zhang, B., Gu, S., Lee, K., Zhou, J., Yao, G., Figueiedo, D., Perry, K., Mei, L., Jin, R.
Deposit date:2011-12-18
Release date:2012-04-25
Last modified:2017-03-01
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis of agrin-LRP4-MuSK signaling.
Genes Dev., 26, 2012
4LO0
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APO HA17-HA33
Descriptor:HA-33, HA-17
Authors:Lee, K., Gu, S., Jin, L., Le, T.T., Cheng, L.W., Strotmeier, J., Kruel, A.M., Yao, G., Perry, K., Rummel, A., Jin, R.
Deposit date:2013-07-12
Release date:2013-10-30
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.055 Å)
Cite:Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO1
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HA17-HA33-GAL
Descriptor:HA-33, HA-17, BETA-D-GALACTOSE
Authors:Lee, K., Gu, S., Jin, L., Le, T.T., Cheng, L.W., Strotmeier, J., Kruel, A.M., Yao, G., Perry, K., Rummel, A., Jin, R.
Deposit date:2013-07-12
Release date:2013-10-30
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.254 Å)
Cite:Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO2
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HA17-HA33-LAC
Descriptor:HA-33, HA-17, BETA-D-GALACTOSE, ...
Authors:Lee, K., Gu, S., Jin, L., Le, T.T., Cheng, L.W., Strotmeier, J., Kruel, A.M., Yao, G., Perry, K., Rummel, A., Jin, R.
Deposit date:2013-07-12
Release date:2013-10-30
Method:X-RAY DIFFRACTION (2.254 Å)
Cite:Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO3
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HA17-HA33-LACNAC
Descriptor:HA-33, HA-17, BETA-D-GALACTOSE, ...
Authors:Lee, K., Gu, S., Jin, L., Le, T.T., Cheng, L.W., Strotmeier, J., Kruel, A.M., Yao, G., Perry, K., Rummel, A., Jin, R.
Deposit date:2013-07-12
Release date:2013-10-30
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO4
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APO HA-70
Descriptor:HA-70, CHLORIDE ION
Authors:Lee, K., Gu, S., Jin, L., Le, T.T., Cheng, L.W., Strotmeier, J., Kruel, A.M., Yao, G., Perry, K., Rummel, A., Jin, R.
Deposit date:2013-07-12
Release date:2013-10-30
Method:X-RAY DIFFRACTION (2.871 Å)
Cite:Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO5
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HA70-ALPHA2,3-SIALC
Descriptor:HA-70, O-SIALIC ACID, BETA-D-GALACTOSE, ...
Authors:Lee, K., Gu, S., Jin, L., Le, T.T., Cheng, L.W., Strotmeier, J., Kruel, A.M., Yao, G., Perry, K., Rummel, A., Jin, R.
Deposit date:2013-07-12
Release date:2013-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO6
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HA70-ALPHA2,6-SIALC
Descriptor:HA-70, O-SIALIC ACID, BETA-D-GALACTOSE, ...
Authors:Lee, K., Gu, S., Jin, L., Le, T.T., Cheng, L.W., Strotmeier, J., Kruel, A.M., Yao, G., Perry, K., Rummel, A., Jin, R.
Deposit date:2013-07-12
Release date:2013-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO7
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HA70(D3)-HA17-HA33
Descriptor:HA-70, HA-33, HA-17
Authors:Lee, K., Gu, S., Jin, L., Le, T.T., Cheng, L.W., Strotmeier, J., Kruel, A.M., Yao, G., Perry, K., Rummel, A., Jin, R.
Deposit date:2013-07-12
Release date:2013-10-30
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.73 Å)
Cite:Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO8
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HA70(D3)-HA17
Descriptor:HA-70, HA-17
Authors:Lee, K., Gu, S., Jin, L., Le, T.T., Cheng, L.W., Strotmeier, J., Kruel, A.M., Yao, G., Perry, K., Rummel, A., Jin, R.
Deposit date:2013-07-12
Release date:2013-10-30
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
5VID
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RECEPTOR BINDING DOMAIN OF BONT/B IN COMPLEX WITH MINI-PROTEIN BINDER BOT.0671.2
Descriptor:Botulinum neurotoxin type B, Bot.0671.2
Authors:Jin, R., Lam, K., Yao, G.
Deposit date:2017-04-15
Release date:2017-09-20
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
5VMR
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RECEPTOR BINDING DOMAIN OF BONT/B IN COMPLEX WITH MINI-PROTEIN BINDER BOT.2110.4
Descriptor:Botulinum neurotoxin type B, Bot.2110.4
Authors:Jin, R., Lam, K., Yao, G.
Deposit date:2017-04-28
Release date:2017-09-20
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
4X8C
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CRYSTAL STRUCTURE OF HUMAN PEPTIDYLARGININE DEIMINASE TYPE4 (PAD4) IN COMPLEX WITH GSK147
Descriptor:Protein-arginine deiminase type-4, CALCIUM ION, [(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone
Authors:Lewis, H.D., Bax, B.D., Chung, C.-W., Polyakova, O., Thorpe, J.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation.
Nat.Chem.Biol., 11, 2015
4X8G
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CRYSTAL STRUCTURE OF HUMAN PEPTIDYLARGININE DEIMINASE TYPE4 (PAD4) IN COMPLEX WITH GSK199
Descriptor:Protein-arginine deiminase type-4, CALCIUM ION, [(3R)-3-aminopiperidin-1-yl][2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzimidazol-5-yl]methanone
Authors:Lewis, H.D., Bax, B.D., Chung, C.-W., Polyakova, O., Thorpe, J.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation.
Nat.Chem.Biol., 11, 2015
3HA6
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CRYSTAL STRUCTURE OF AURORA A IN COMPLEX WITH TPX2 AND COMPOUND 10
Descriptor:Serine/threonine-protein kinase 6, Targeting protein for Xklp2, N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
Authors:Zhao, B., Clark, M.A.
Deposit date:2009-05-01
Release date:2009-08-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Design, synthesis and selection of DNA-encoded small-molecule libraries.
Nat.Chem.Biol., 5, 2009
3HA8
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THE COMPLEX STRUCTURE OF THE MAP KINASE P38/COMPOUND 14B
Descriptor:Mitogen-activated protein kinase 14, N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide
Authors:Zhao, B., Clark, M.A.
Deposit date:2009-05-01
Release date:2009-08-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Design, synthesis and selection of DNA-encoded small-molecule libraries.
Nat.Chem.Biol., 5, 2009
3L9L
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CRYSTAL STRUCTURE OF PKA WITH COMPOUND 36
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one
Authors:Huang, X.
Deposit date:2010-01-05
Release date:2011-01-19
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
3L9M
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CRYSTAL STRUCTURE OF PKAB3 (PKA TRIPLE MUTANT V123A, L173M, Q181K) WITH COMPOUND 18
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine
Authors:Huang, X.
Deposit date:2010-01-05
Release date:2011-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
3L9N
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CRYSTAL STRUCTURE OF PKAB3 (PKA TRIPLE MUTANT V123A, L173M, Q181K) WITH COMPOUND 27
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine
Authors:Huang, X.
Deposit date:2010-01-05
Release date:2011-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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