Author results

6R8Q
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STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A BENZOTRIAZOLE FRAGMENT
Descriptor:Palmitoleoyl-protein carboxylesterase NOTUM, N-ACETYL-D-GLUCOSAMINE, SULFATE ION, ...
Authors:Ruza, R.R., Vecchia, L., Jones, E.Y.
Deposit date:2019-04-02
Release date:2019-05-08
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen.
Medchemcomm, 10, 2019
6YUW
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STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 454
Descriptor:Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, 1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, ...
Authors:Ruza, R.R., Hillier, J., Jones, E.Y.
Deposit date:2020-04-27
Release date:2020-05-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Screening of a custom-designed acid fragment library identifies 1-phenylpyrroles and 1- phenylpyrrolidines as inhibitors of Notum carboxylesterase activity.
To Be Published
6YV0
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STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 587
Descriptor:Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, 1,2-ETHANEDIOL, ...
Authors:Ruza, R.R., Hillier, J., Jones, E.Y.
Deposit date:2020-04-27
Release date:2020-05-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Screening of a custom-designed acid fragment library identifies 1-phenylpyrroles and 1- phenylpyrrolidines as inhibitors of Notum carboxylesterase activity.
To Be Published
6YV2
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STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 598
Descriptor:Palmitoleoyl-protein carboxylesterase NOTUM, N-ACETYL-D-GLUCOSAMINE, (3~{R})-1-phenylpyrrolidine-3-carboxylic acid, ...
Authors:Ruza, R.R., Hillier, J., Jones, E.Y.
Deposit date:2020-04-27
Release date:2020-05-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Screening of a custom-designed acid fragment library identifies 1-phenylpyrroles and 1- phenylpyrrolidines as inhibitors of Notum carboxylesterase activity.
To Be Published
6Z43
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CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-D4 NANOBODY COMPLEX
Descriptor:Spike glycoprotein, Nanobody, N-ACETYL-D-GLUCOSAMINE
Authors:Ruza, R.R., Duyvesteyn, H.M.E., Shah, P., Carrique, L., Ren, J., Malinauskas, T., Zhou, D., Stuart, D.I., Naismith, J.H.
Deposit date:2020-05-22
Release date:2020-06-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for a potent neutralising single-domain antibody that blocks SARS-CoV-2 binding to its receptor ACE2
To Be Published
5L4E
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X-RAY STRUCTURE OF THE 2-22' LOCALLY-CLOSED MUTANT OF GLIC IN COMPLEX WITH THIOPENTAL
Descriptor:Proton-gated ion channel, DODECANE, CHLORIDE ION, ...
Authors:Fourati, Z., Ruza, R.R., Delarue, M.
Deposit date:2016-05-25
Release date:2016-12-21
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Barbiturates Bind in the GLIC Ion Channel Pore and Cause Inhibition by Stabilizing a Closed State.
J. Biol. Chem., 292, 2017
5L4H
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X-RAY STRUCTURE OF THE 2-22' LOCALLY-CLOSED MUTANT OF GLIC IN COMPLEX WITH 5-(2-BROMO-ETHYL)-5-ETHYL-PYRIMIDINE-2,4,6-TRIONE (BROMINATED BARBITURATE)
Descriptor:Proton-gated ion channel, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Fourati, Z., Ruza, R.R., Delarue, M.
Deposit date:2016-05-25
Release date:2016-12-21
Last modified:2017-02-15
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Barbiturates Bind in the GLIC Ion Channel Pore and Cause Inhibition by Stabilizing a Closed State.
J. Biol. Chem., 292, 2017
5MUO
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X-RAY STRUCTURE OF THE 2-22' LOCALLY-CLOSED MUTANT OF GLIC IN COMPLEX WITH PROPOFOL
Descriptor:Proton-gated ion channel, DODECYL-BETA-D-MALTOSIDE, CHLORIDE ION, ...
Authors:Fourati, Z., Ruza, R.R., Delarue, M.
Deposit date:2017-01-13
Release date:2018-02-14
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels.
Cell Rep, 23, 2018
6R8R
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STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH ISOQUINOLINE 45
Descriptor:Palmitoleoyl-protein carboxylesterase NOTUM, N-ACETYL-D-GLUCOSAMINE, ~{N}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide, ...
Authors:Vecchia, L., Zhao, Y., Ruza, R.R., Jones, E.Y.
Deposit date:2019-04-02
Release date:2019-05-08
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen.
Medchemcomm, 10, 2019
6YOR
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STRUCTURE OF THE SARS-COV-2 SPIKE S1 PROTEIN IN COMPLEX WITH CR3022 FAB
Descriptor:Spike glycoprotein, IgG H chain, IgG L chain
Authors:Huo, J., Zhao, Y., Ren, J., Zhou, D., Duyvesteyn, H.M.E., Carrique, L., Malinauskas, T., Ruza, R.R., Shah, P.N.M., Fry, E.E., Owens, R., Stuart, D.I.
Deposit date:2020-04-15
Release date:2020-04-29
Last modified:2020-05-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Neutralization of SARS-CoV-2 by destruction of the prefusion Spike
To Be Published
6YUY
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STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 471
Descriptor:Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, DIMETHYL SULFOXIDE, ...
Authors:Hillier, J., Ruza, R.R., Jones, E.Y.
Deposit date:2020-04-27
Release date:2020-05-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Screening of a custom-designed acid fragment library identifies 1-phenylpyrroles and 1- phenylpyrrolidines as inhibitors of Notum carboxylesterase activity.
To Be Published
6YV4
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STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 686
Descriptor:Palmitoleoyl-protein carboxylesterase NOTUM, 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Hillier, J., Ruza, R.R., Jones, E.Y.
Deposit date:2020-04-27
Release date:2020-05-06
Last modified:2020-06-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Screening of a custom-designed acid fragment library identifies 1-phenylpyrroles and 1- phenylpyrrolidines as inhibitors of Notum carboxylesterase activity.
To Be Published
6Z97
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STRUCTURE OF THE PREFUSION SARS-COV-2 SPIKE GLYCOPROTEIN
Descriptor:Spike glycoprotein,Fibritin, N-ACETYL-D-GLUCOSAMINE
Authors:Duyvesteyn, H.M.E., Ren, J., Zhao, Y., Zhou, D., Huo, J., Carrique, L., Malinauskas, T., Ruza, R.R., Shah, P.N.M., Fry, E.E., Owens, R., Stuart, D.I.
Deposit date:2020-06-03
Release date:2020-07-01
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Neutralization of SARS-CoV-2 by destruction of the prefusion Spike
To Be Published
5L47
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X-RAY STRUCTURE OF THE 2-22' LOCALLY-CLOSED MUTANT OF GLIC IN COMPLEX WITH CYANOSELENOBARBITAL (SELENIATED BARBITURATE)
Descriptor:Proton-gated ion channel, CHLORIDE ION, ACETATE ION, ...
Authors:Reinholds Ruza, R., Fourati, Z., Delarue, M.
Deposit date:2016-05-25
Release date:2016-12-21
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Barbiturates Bind in the GLIC Ion Channel Pore and Cause Inhibition by Stabilizing a Closed State.
J. Biol. Chem., 292, 2017
5MUR
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X-RAY STRUCTURE OF THE F14'A MUTANT OF GLIC IN COMPLEX WITH PROPOFOL
Descriptor:Proton-gated ion channel, ACETATE ION, CHLORIDE ION, ...
Authors:Sauguet, L., Fourati, Z., Delarue, M.
Deposit date:2017-01-13
Release date:2018-02-14
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels.
Cell Rep, 23, 2018
5MVN
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X-RAY STRUCTURE OF THE M205W MUTANT OF GLIC IN COMPLEX WITH PROPOFOL
Descriptor:Proton-gated ion channel, ACETATE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Fourati, Z., Delarue, M.
Deposit date:2017-01-16
Release date:2018-02-14
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels.
Cell Rep, 23, 2018
5MZQ
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X-RAY STRUCTURE OF THE M205W MUTANT OF GLIC IN COMPLEX WITH BROMOFORM
Descriptor:Proton-gated ion channel, ACETATE ION, 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Fourati, Z., Delarue, M.
Deposit date:2017-02-01
Release date:2018-02-28
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels.
Cell Rep, 23, 2018
5NKJ
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X-RAY STRUCTURE OF THE N239C MUTANT OF GLIC
Descriptor:Proton-gated ion channel
Authors:Hu, H., Fourati, Z., Delarue, M.
Deposit date:2017-03-31
Release date:2018-06-20
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (3.74 Å)
Cite:Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels.
Cell Rep, 23, 2018
6EMX
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X-RAY STRUCTURE OF THE N15'C MUTANT OF GLIC IN COMPLEX WITH BROMOFORM
Descriptor:Proton-gated ion channel, CHLORIDE ION, SODIUM ION, ...
Authors:Fourati, Z., Delarue, M.
Deposit date:2017-10-03
Release date:2018-06-20
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels.
Cell Rep, 23, 2018
6R8P
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NOTUM FRAGMENT 723
Descriptor:Palmitoleoyl-protein carboxylesterase NOTUM, N-ACETYL-D-GLUCOSAMINE, GLYCEROL, ...
Authors:Zhao, Y., Jones, E.Y.
Deposit date:2019-04-02
Release date:2019-05-08
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen.
Medchemcomm, 10, 2019
6ZCZ
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CRYSTAL STRUCTURE OF RECEPTOR BINDING DOMAIN OF SARS-COV-2 SPIKE GLYCOPROTEIN IN TERNARY COMPLEX WITH EY6A FAB AND A NANOBODY.
Descriptor:Spike glycoprotein, Nanobody, EY6A heavy chain, ...
Authors:Zhou, D., Zhao, Y., Fry, E.E., Ren, J., Stuart, D.I.
Deposit date:2020-06-12
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient
To Be Published
6ZDH
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SARS-COV-2 SPIKE GLYCOPROTEIN IN COMPLEX WITH A NEUTRALIZING ANTIBODY EY6A FAB
Descriptor:Spike glycoprotein, EY6A heavy chain, EY6A light chain, ...
Authors:Duyvesteyn, H.M.E., Zhou, D., Zhao, Y., Fry, E.E., Ren, J., Stuart, D.I.
Deposit date:2020-06-14
Release date:2020-07-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient
To Be Published
6ZER
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CRYSTAL STRUCTURE OF RECEPTOR BINDING DOMAIN OF SARS-COV-2 SPIKE GLYCOPROTEIN IN COMPLEX WITH EY6A FAB
Descriptor:RBD, heavy chain, light chain, ...
Authors:Zhou, D., Zhao, Y., Fry, E.E., Ren, J., Stuart, D.I.
Deposit date:2020-06-16
Release date:2020-06-24
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient
To Be Published