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PDB: 199 results

7WL4
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Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor SLP-50
Descriptor: Bromodomain-containing protein 4, ~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl)benzenesulfonamide
Authors:Zhang, C, Wang, C, Li, W, Zhang, Y, Xu, Y, Sun, L.
Deposit date:2022-01-12
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Design, synthesis, and anticancer evaluation of ammosamide B with pyrroloquinoline derivatives as novel BRD4 inhibitors.
Bioorg.Chem., 127, 2022
7WOG
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SARS-CoV-2 Omicron S monomer complexed with 553-49
Descriptor: 553-49 VH, 553-49 VL, Spike protein S1
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-01-21
Release date:2022-07-20
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (4.06 Å)
Cite:Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer.
J.Virol., 96, 2022
7WOB
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SARS-CoV-2 Spike in complex with IgG 553-60 (2-up trimer)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, mAb60 VH, ...
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-01-21
Release date:2022-07-20
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer.
J.Virol., 96, 2022
7WO4
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SARS-CoV-2 Spike in complex with IgG 553-15 (S-553-15 dimer trimer )
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, mAb15 VH, ...
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-01-20
Release date:2022-07-20
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (4.47 Å)
Cite:Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer.
J.Virol., 96, 2022
7WO7
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Locally refined region of SARS-CoV-2 Spike in complex with IgG 553-15
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, mAb15 VH, ...
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-01-20
Release date:2022-07-20
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer.
J.Virol., 96, 2022
7WO5
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SARS-CoV-2 Spike in complex with IgG 553-15 (S-553-15 trimer)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, mAb15 VH, ...
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-01-20
Release date:2022-07-20
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer.
J.Virol., 96, 2022
7WOC
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BU of 7woc by Molmil
Locally refined region of SARS-CoV-2 Spike in complex with IgG 553-60
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, mAb60 VH, ...
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-01-21
Release date:2022-07-20
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer.
J.Virol., 96, 2022
7WOA
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SARS-CoV-2 Spike in complex with IgG 553-60 (1-up trimer)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, mAb60 VH, ...
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-01-21
Release date:2022-07-20
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer.
J.Virol., 96, 2022
7VIC
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The crystal structure of SARS-CoV-2 3C-like protease in complex with a traditional Chinese Medicine Inhibitors
Descriptor: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 3C-like proteinase
Authors:Zhong, B, Chen, B, Zhou, H, Sun, L.
Deposit date:2021-09-26
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Oridonin Inhibits SARS-CoV-2 by Targeting Its 3C-Like Protease.
Small Sci, 2, 2022
7WZ2
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BU of 7wz2 by Molmil
SARS-CoV-2 (D614G) Spike trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-02-16
Release date:2022-07-20
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer.
J.Virol., 96, 2022
7WZ1
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SARS-CoV-2 Omicron Spike trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-02-16
Release date:2022-07-27
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer.
J.Virol., 96, 2022
7YD1
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Local refinement of SARS-CoV-2 Omicron S trimer complexed with XG005
Descriptor: Spike protein S1, XG005-VH, XG005-VL
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-07-02
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:OS-XG005
To be Published
7YD0
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SARS-CoV-2 Omicron 1-RBD up spike trimer complexed with two XG005 Fab
Descriptor: Spike glycoprotein, XG005-VH, XG005-VL
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-07-02
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:SARS-CoV-2 Omicron 1-RBD up spike trimer complexed with two XG005 Fab
To be Published
7YCY
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BU of 7ycy by Molmil
SARS-CoV-2 Omicron 1-RBD up Spike trimer complexed with three XG005 molecules
Descriptor: Spike glycoprotein, XG005-VH, XG005-VL
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-07-02
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite:OS-XG005
To be Published
7YCZ
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BU of 7ycz by Molmil
SARS-CoV-2 Omicron 2-RBD up Spike trimer complexed with three XG005 molecules
Descriptor: Spike glycoprotein, XG005-VH, XG005-VL
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-07-02
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:SARS-CoV-2 Omicron 2-RBD up Spike trimer complexed with three XG005 molecules
To be Published
5NJ6
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BU of 5nj6 by Molmil
Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in ternary complex with Fab3949 and AZ7188 at 4.0 angstrom resolution
Descriptor: Fab3949 H, Fab3949 L, Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2
Authors:Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N.
Deposit date:2017-03-28
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
5NDD
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Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ8838 at 2.8 angstrom resolution
Descriptor: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, PHOSPHATE ION, ...
Authors:Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N.
Deposit date:2017-03-08
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
5NDZ
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Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ3451 at 3.6 angstrom resolution
Descriptor: 2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, SODIUM ION
Authors:Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N.
Deposit date:2017-03-09
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
4F8T
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Crystal Structure of the Human BTN3A3 Ectodomain
Descriptor: Butyrophilin subfamily 3 member A3
Authors:Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
Deposit date:2012-05-17
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.382 Å)
Cite:The molecular basis for modulation of human V(gamma)9V(delta)2 T cell response by CD277/Butryophilin (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
4F9L
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Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the 20.1 Single Chain Antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 20.1 anti-BTN3A1 antibody fragment, Butyrophilin subfamily 3 member A1
Authors:Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
Deposit date:2012-05-18
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1404 Å)
Cite:The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
4F80
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Crystal Structure of the human BTN3A1 ectodomain
Descriptor: Butyrophilin subfamily 3 member A1
Authors:Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
Deposit date:2012-05-16
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.944 Å)
Cite:The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
4F9P
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Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the 103.2 Single Chain Antibody
Descriptor: 103.2 anti-BTN3A1 antibody fragment, Butyrophilin subfamily 3 member A1
Authors:Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
Deposit date:2012-05-19
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.519 Å)
Cite:The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
4F8Q
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Crystal Structure of the Human BTN3A2 Ectodomain
Descriptor: Butyrophilin subfamily 3 member A2
Authors:Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
Deposit date:2012-05-17
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3789 Å)
Cite:The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
5YIO
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NMR solution structure of subunit epsilon of the Mycobacterium tuberculosis F-ATP synthase
Descriptor: ATP synthase epsilon chain
Authors:Shin, J, Ragunathan, P, Sundararaman, L, Nartey, W, Manimekalai, M.S.S, Bogdanovic, N, Gruber, G.
Deposit date:2017-10-06
Release date:2018-10-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The NMR solution structure of Mycobacterium tuberculosis F-ATP synthase subunit epsilon provides new insight into energy coupling inside the rotary engine.
FEBS J., 285, 2018

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