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7YR3
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BU of 7yr3 by Molmil
SARS-CoV-2 BA.2.75 S Trimer in complex with ACE2(state2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Wang, L.
Deposit date:2022-08-08
Release date:2022-10-19
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
7YR2
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BU of 7yr2 by Molmil
SARS-CoV-2 BA.2.75 S Trimer in complex with ACE2(state1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Wang, L.
Deposit date:2022-08-08
Release date:2022-10-19
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
7YR1
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BU of 7yr1 by Molmil
SARS-CoV-2 BA.2.75 S Trimer in complex with XG2v024
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, L.
Deposit date:2022-08-08
Release date:2022-10-19
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
7YQV
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BU of 7yqv by Molmil
pH 5.5 SARS-CoV-2 BA.2.75 S Trimer (1 RBD Up)
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, L.
Deposit date:2022-08-08
Release date:2022-10-19
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
7YQU
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BU of 7yqu by Molmil
SARS-CoV-2 BA.2.75 S Trimer (3 RBD Down)
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, L.
Deposit date:2022-08-08
Release date:2022-10-19
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
7YR0
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BU of 7yr0 by Molmil
SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (interface)
Descriptor: Heavy chain of S309, IGK@ protein, Spike protein S1, ...
Authors:Wang, L.
Deposit date:2022-08-08
Release date:2022-10-19
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.98 Å)
Cite:Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
7YQZ
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BU of 7yqz by Molmil
SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S309 heavy chain, S309 light chain, ...
Authors:Wang, L.
Deposit date:2022-08-08
Release date:2022-10-19
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
7YQX
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BU of 7yqx by Molmil
SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S309 heavy chain, ...
Authors:Wang, L.
Deposit date:2022-08-08
Release date:2022-10-19
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
6MDB
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BU of 6mdb by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 5
Descriptor: 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDC
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BU of 6mdc by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 1 SHP389
Descriptor: 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
7RW2
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BU of 7rw2 by Molmil
Cryo-EM structure of NTD-directed neutralizing antibody 5-7 in complex with prefusion SARS-CoV-2 spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-7 heavy chain, ...
Authors:Cerutti, G, Shapiro, L.
Deposit date:2021-08-19
Release date:2021-09-01
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Neutralizing antibody 5-7 defines a distinct site of vulnerability in SARS-CoV-2 spike N-terminal domain.
Cell Rep, 37, 2021
6M7T
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BU of 6m7t by Molmil
Human DNA polymerase eta in a non-productive ternary complex with Ca2+ and dTTP oppositing cdA
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*AP*GP*TP*GP*TP*GP*AP*G)-3'), ...
Authors:Weng, P, Gao, Y, Yang, W.
Deposit date:2018-08-21
Release date:2018-09-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Bypassing a 8,5'-cyclo-2'-deoxyadenosine lesion by human DNA polymerase eta at atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6M7U
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BU of 6m7u by Molmil
Human DNA polymerase eta in a non-productive ternary complex with Mg2+ and dTMPNPP oppositing cdA
Descriptor: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, CHLORIDE ION, DNA (5'-D(*AP*GP*TP*GP*TP*GP*AP*G)-3'), ...
Authors:Weng, P, Gao, Y, Yang, W.
Deposit date:2018-08-21
Release date:2018-09-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Bypassing a 8,5'-cyclo-2'-deoxyadenosine lesion by human DNA polymerase eta at atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5KZI
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BU of 5kzi by Molmil
Crystal structure of human Pim-1 kinase in complex with an imidazopyridazine inhibitor.
Descriptor: Serine/threonine-protein kinase pim-1, ~{N}-[4-[(3~{S})-3-azanylpiperidin-1-yl]pyridin-3-yl]-2-[2,6-bis(fluoranyl)phenyl]imidazo[1,5-b]pyridazin-7-amine
Authors:Mohr, C.
Deposit date:2016-07-25
Release date:2016-11-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of imidazopyridazines as potent Pim-1/2 kinase inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
8OWG
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BU of 8owg by Molmil
Crystal structure of D1228V c-MET bound by compound 2
Descriptor: 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor
Authors:Collie, G.W.
Deposit date:2023-04-27
Release date:2023-07-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.631 Å)
Cite:Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
8OUU
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BU of 8ouu by Molmil
Crystal structure of D1228V c-MET bound by compound 29
Descriptor: 1,2-ETHANEDIOL, 5-(3-ethynyl-5-fluoranyl-1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, FORMIC ACID, ...
Authors:Collie, G.W.
Deposit date:2023-04-24
Release date:2023-07-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
8OUV
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BU of 8ouv by Molmil
Crystal structure of D1228V c-MET bound by compound 15
Descriptor: 5-(1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, CHLORIDE ION, Hepatocyte growth factor receptor
Authors:Collie, G.W.
Deposit date:2023-04-24
Release date:2023-07-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
8OW3
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BU of 8ow3 by Molmil
Crystal structure of wild-type c-MET bound by compound 2
Descriptor: 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor
Authors:Collie, G.W.
Deposit date:2023-04-26
Release date:2023-07-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
8OV7
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BU of 8ov7 by Molmil
Crystal structure of D1228V c-MET bound by compound 10
Descriptor: 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-[3-(1H-imidazol-5-yl)phenyl]ethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor
Authors:Collie, G.W.
Deposit date:2023-04-25
Release date:2023-07-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
8OVZ
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BU of 8ovz by Molmil
Crystal structure of D1228V c-MET bound by compound 16
Descriptor: 1-[(1S)-1-[3-(1H-imidazol-4-yl)phenyl]ethyl]-5-(1H-indazol-7-yl)pyrimidine-2,4-dione, Hepatocyte growth factor receptor, IODIDE ION
Authors:Collie, G.W.
Deposit date:2023-04-26
Release date:2023-07-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
7XNS
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BU of 7xns by Molmil
SARS-CoV-2 Omicron BA.2.12.1 variant spike
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:2022-04-29
Release date:2022-07-13
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XIX
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BU of 7xix by Molmil
SARS-CoV-2 Omicron BA.2 variant spike (state 2)
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:2022-04-14
Release date:2022-07-13
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XIY
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BU of 7xiy by Molmil
SARS-CoV-2 Omicron BA.3 variant spike
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:2022-04-14
Release date:2022-07-13
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XNQ
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BU of 7xnq by Molmil
SARS-CoV-2 Omicron BA.4 variant spike
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:2022-04-29
Release date:2022-07-13
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XIW
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BU of 7xiw by Molmil
SARS-CoV-2 Omicron BA.2 variant spike (state 1)
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:2022-04-14
Release date:2022-07-13
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022

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數據於2024-10-30公開中

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