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7PQZ
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BU of 7pqz by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FI-3A and FD-11A Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FD-11A Fab heavy chain, FD-11A Fab light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-09-20
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2.
Theranostics, 12, 2022
7PR0
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BU of 7pr0 by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FD-5D Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, FD-5D Fab heavy chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-09-20
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2.
Theranostics, 12, 2022
7Q0A
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BU of 7q0a by Molmil
SARS-CoV-2 Spike ectodomain with Fab FI3A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FI3A fab Light chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2021-10-14
Release date:2022-02-23
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2.
Theranostics, 12, 2022
6IYX
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BU of 6iyx by Molmil
Crystal Structure Analysis of a Eukaryotic Membrane Protein
Descriptor: BROMIDE ION, CALCIUM ION, Trimeric intracellular cation channel type A
Authors:Zeng, Y, Wang, X.H, Gao, F, Su, M, Chen, Y.H.
Deposit date:2018-12-17
Release date:2019-05-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6IZ5
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BU of 6iz5 by Molmil
Crystal Structure Analysis of a Eukaryotic Membrane Protein
Descriptor: Trimeric intracellular cation channel type B-B
Authors:Li, D, Su, M, Hendrickson, W.A, Chen, Y.H.
Deposit date:2018-12-18
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.701 Å)
Cite:Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6IZ6
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BU of 6iz6 by Molmil
Crystal Structure Analysis of TRIC counter-ion channels in calcium release
Descriptor: CALCIUM ION, Trimeric intracellular cation channel type B-B
Authors:Liu, X.L, Wang, X.H, Su, M, Hendrickson, W.A, Chen, Y.H.
Deposit date:2018-12-18
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.293 Å)
Cite:Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6IZF
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BU of 6izf by Molmil
Structural basis for activity of TRIC counter-ion channels in calcium release
Descriptor: (2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5E,8E,11E)-tetradeca-5,8,11-trienoate, CALCIUM ION, CHLORIDE ION, ...
Authors:Wang, X.H, Zeng, Y, Su, M, Hendrickson, W.A, Chen, Y.H.
Deposit date:2018-12-19
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6IZ3
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BU of 6iz3 by Molmil
Structural basis for activity of TRIC counter-ion channels in calcium release
Descriptor: Trimeric intracellular cation channel type B-B
Authors:Zeng, Y, Wang, X.H, Su, M, Chen, Y.H.
Deposit date:2018-12-18
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.791 Å)
Cite:Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6IZ4
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BU of 6iz4 by Molmil
Crystal Structure Analysis of TRIC counter-ion channels in calcium release
Descriptor: Trimeric intracellular cation channel type B-B
Authors:Wang, X.H, Zeng, Y, Gao, F, Su, M, Hendrickson, W.A, Chen, Y.H.
Deposit date:2018-12-18
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.098 Å)
Cite:Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
5HFM
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BU of 5hfm by Molmil
Gp41-targeting HIV-1 fusion inhibitors with hook-like Ile-Asp-Leu tail
Descriptor: Envelope glycoprotein gp160,gp41 CHR region, TRIS(HYDROXYETHYL)AMINOMETHANE
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2016-01-07
Release date:2017-01-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Rational improvement of gp41-targeting HIV-1 fusion inhibitors: an innovatively designed Ile-Asp-Leu tail with alternative conformations
Sci Rep, 6, 2016
5HFL
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BU of 5hfl by Molmil
Gp41-targeting HIV-1 fusion inhibitors with helical Ile-Asp-Leu tail
Descriptor: Envelope glycoprotein,gp41 CHR region
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2016-01-07
Release date:2017-01-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:Rational improvement of gp41-targeting HIV-1 fusion inhibitors: an innovatively designed Ile-Asp-Leu tail with alternative conformations
Sci Rep, 6, 2016
7WE7
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BU of 7we7 by Molmil
SARS-CoV-2 Omicron variant spike protein in complex with Fab XGv282
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 282, ...
Authors:Wang, X, Wang, L.
Deposit date:2021-12-23
Release date:2022-05-04
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WEE
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BU of 7wee by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv265
Descriptor: Spike glycoprotein, The heavy chain of Fab XGv265, The light chain of Fab XGv265
Authors:Wang, X, Wang, L.
Deposit date:2021-12-23
Release date:2022-05-04
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WEB
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BU of 7web by Molmil
SARS-CoV-2 Omicron variant spike protein with two XGv347 binding to two open state RBDs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Wang, X, Wang, L.
Deposit date:2021-12-23
Release date:2022-05-04
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WEF
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BU of 7wef by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv289
Descriptor: Spike protein S1, The heavy chain of Fab XGv289, The light chain of Fab XGv289
Authors:Wang, X, Wang, L.
Deposit date:2021-12-23
Release date:2022-05-04
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WE9
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BU of 7we9 by Molmil
SARS-CoV-2 Omicron variant spike protein in complex with Fab XGv289
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Wang, X, Wang, L.
Deposit date:2021-12-23
Release date:2022-05-04
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WLC
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BU of 7wlc by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv282
Descriptor: Heavy chain of XGv282, Light chain of XGv282, Spike protein S1
Authors:Wang, X, Wang, L.
Deposit date:2022-01-13
Release date:2022-04-13
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WED
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BU of 7wed by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv347
Descriptor: Spike protein S1, The heavy chain of Fab XGv347, The light chain of Fab XGv347
Authors:Wang, X, Wang, L.
Deposit date:2021-12-23
Release date:2022-04-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WEA
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BU of 7wea by Molmil
SARS-CoV-2 Omicron variant spike protein in complex with two XGv347 binding to one close state RBD and one open state RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Wang, X, Wang, L.
Deposit date:2021-12-23
Release date:2022-05-04
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WEC
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BU of 7wec by Molmil
SARS-CoV-2 Omicron variant spike protein with three XGv347 Fabs binding to three closed state RBDs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Wang, X, Wang, L.
Deposit date:2021-12-23
Release date:2022-05-04
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WE8
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BU of 7we8 by Molmil
SARS-CoV-2 Omicron variant spike protein in complex with Fab XGv265
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 265, ...
Authors:Wang, X, Wang, L.
Deposit date:2021-12-23
Release date:2022-05-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7LV3
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BU of 7lv3 by Molmil
Crystal structure of human protein kinase G (PKG) R-C complex in inhibited state
Descriptor: 1,2-ETHANEDIOL, Isoform Beta of cGMP-dependent protein kinase 1, MANGANESE (II) ION, ...
Authors:Sharma, R, Lying, Q, Casteel, D, Kim, C.
Deposit date:2021-02-23
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:An auto-inhibited state of protein kinase G and implications for selective activation.
Elife, 11, 2022
8HTR
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BU of 8htr by Molmil
Crystal structure of Bcl2 in complex with S-9c
Descriptor: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
8HTS
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BU of 8hts by Molmil
Crystal structure of Bcl2 in complex with S-10r
Descriptor: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
7MBJ
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BU of 7mbj by Molmil
Crystal structure of cGMP dependent protein kinase I alpha (PKG I alpha)CNB-A domain with R177Q mutation
Descriptor: cGMP-dependent protein kinase 1
Authors:Kim, J.J, Casteel, D.E, Kim, C.
Deposit date:2021-03-31
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:An auto-inhibited state of protein kinase G and implications for selective activation.
Elife, 11, 2022

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