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4PNN
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BU of 4pnn by Molmil
Crystal Structure of human Tankyrase 2 in complex with 4HQN.
Descriptor: Tankyrase-2, ZINC ION, quinazolin-4(1H)-one
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-24
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4H34
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BU of 4h34 by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
Authors:Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y.
Deposit date:2012-09-13
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation
To be Published
4NWG
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BU of 4nwg by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with E139D mutation
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battalie, K, Chirgadze, N.Y.
Deposit date:2013-12-06
Release date:2014-12-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of the tyrosine phosphatase SHP-2 with E139D mutation
To be Published
4H1O
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BU of 4h1o by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation
Descriptor: 1,2-ETHANEDIOL, Tyrosine-protein phosphatase non-receptor type 11
Authors:Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y.
Deposit date:2012-09-11
Release date:2013-09-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation
To be Published
4GWF
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BU of 4gwf by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with Y279C mutation
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y.
Deposit date:2012-09-03
Release date:2013-09-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the tyrosine phosphatase SHP-2 with Y279C mutation
TO BE PUBLISHED
4PNR
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BU of 4pnr by Molmil
Crystal Structure of human Tankyrase 2 in complex with TIQ-A.
Descriptor: 4H-thieno[2,3-c]isoquinolin-5-one, ETHANOL, GLYCEROL, ...
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-24
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4PNT
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BU of 4pnt by Molmil
Crystal Structure of human Tankyrase 2 in complex with 1,5-IQD.
Descriptor: 5-hydroxyisoquinolin-1(4H)-one, Tankyrase-2, ZINC ION
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-25
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4F0A
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BU of 4f0a by Molmil
Crystal structure of XWnt8 in complex with the cysteine-rich domain of Frizzled 8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-8, PALMITOLEIC ACID, ...
Authors:Janda, C.Y, Waghray, D, Levin, A.M, Thomas, C, Garcia, K.C.
Deposit date:2012-05-03
Release date:2012-06-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structural basis of Wnt recognition by Frizzled.
Science, 337, 2012
4PNM
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BU of 4pnm by Molmil
Crystal Structure of human Tankyrase 2 in complex with Nu1025.
Descriptor: 1,2-ETHANEDIOL, 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE, Tankyrase-2, ...
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-23
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4PNQ
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BU of 4pnq by Molmil
Crystal Structure of human Tankyrase 2 in complex with 5AIQ.
Descriptor: 5-aminoisoquinolin-1(4H)-one, ISOPROPYL ALCOHOL, Tankyrase-2, ...
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-24
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
5IM5
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BU of 5im5 by Molmil
Crystal structure of designed two-component self-assembling icosahedral cage I53-40
Descriptor: Designed Keto-hydroxyglutarate-aldolase/keto-deoxy-phosphogluconate aldolase, Designed Riboflavin synthase
Authors:Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O.
Deposit date:2016-03-05
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.699 Å)
Cite:Accurate design of megadalton-scale two-component icosahedral protein complexes.
Science, 353, 2016
4NWF
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BU of 4nwf by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
Authors:Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battalie, K, Chirgadze, N.Y.
Deposit date:2013-12-06
Release date:2014-12-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation
To be Published
4GAF
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BU of 4gaf by Molmil
Crystal structure of EBI-005, a chimera of human IL-1beta and IL-1Ra, bound to human Interleukin-1 receptor type 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, EBI-005, Interleukin-1 receptor type 1, ...
Authors:Hou, J, Townson, S.A, Kovalchin, J.T, Masci, A, Kiner, O, Shu, Y, King, B, Thomas, C, Garcia, K.C, Furfine, E.S, Barnes, T.M.
Deposit date:2012-07-25
Release date:2013-02-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Design of a superior cytokine antagonist for topical ophthalmic use.
Proc.Natl.Acad.Sci.USA, 110, 2013
3SVL
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BU of 3svl by Molmil
Structural basis of the improvement of ChrR - a multi-purpose enzyme
Descriptor: CALCIUM ION, FLAVIN MONONUCLEOTIDE, protein yieF
Authors:Poulain, S, Eswaramoorthy, S, Hienerwadel, R, Bremond, N, Sylvester, M.D, Zhang, Y.B, Van Der Lelie, D, Berthomieu, C, Matin, A.C.
Deposit date:2011-07-12
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of ChrR-A Quinone Reductase with the Capacity to Reduce Chromate.
Plos One, 7, 2012
8PO0
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BU of 8po0 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 12 bound to EGFRinsNPG
Descriptor: 1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.523 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO1
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BU of 8po1 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [V948R]
Descriptor: 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor, IODIDE ION
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO4
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BU of 8po4 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFR[V948R]
Descriptor: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Epidermal growth factor receptor, ...
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.621 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO3
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BU of 8po3 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R]
Descriptor: 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PNZ
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BU of 8pnz by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR
Descriptor: 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO2
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BU of 8po2 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R]
Descriptor: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
7NDD
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BU of 7ndd by Molmil
EM structure of SARS-CoV-2 Spike glycoprotein (one RBD up) in complex with COVOX-159
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-159 Fab heavy chain, ...
Authors:Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
Deposit date:2021-01-30
Release date:2021-03-03
Last modified:2021-04-28
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7NDA
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BU of 7nda by Molmil
EM structure of SARS-CoV-2 Spike glycoprotein (all RBD down) in complex with COVOX-253H55L Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
Deposit date:2021-01-30
Release date:2021-03-03
Last modified:2021-04-28
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7ND5
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BU of 7nd5 by Molmil
EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-150 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-150 Fab heavy chain, ...
Authors:Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
Deposit date:2021-01-30
Release date:2021-03-03
Last modified:2021-04-28
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7ND6
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BU of 7nd6 by Molmil
EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-40 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 Fab heavy chain, ...
Authors:Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
Deposit date:2021-01-30
Release date:2021-03-03
Last modified:2021-04-28
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7NDB
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BU of 7ndb by Molmil
EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-253H165L Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
Deposit date:2021-01-30
Release date:2021-03-03
Last modified:2021-04-28
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021

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