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7WGB
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BU of 7wgb by Molmil
Neutral Omicron Spike Trimer in complex with ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Cui, Z.
Deposit date:2021-12-28
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
7WG8
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BU of 7wg8 by Molmil
Delta Spike 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:Cui, Z.
Deposit date:2021-12-28
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
7WG6
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BU of 7wg6 by Molmil
Neutral Omicron Spike Trimer
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:Cui, Z, Wang, X.
Deposit date:2021-12-28
Release date:2022-05-18
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
8IQU
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BU of 8iqu by Molmil
Structure of MtbFadD23 with PhU-AMS
Descriptor: 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine, Fatty-acid-CoA ligase FadD23
Authors:Yan, M.R, Zhang, W.
Deposit date:2023-03-17
Release date:2023-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis for the development of potential inhibitors targeting FadD23 from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 79, 2023
4GHI
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BU of 4ghi by Molmil
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a benzoxadiazole antagonist
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Authors:Scheuermann, T.H, Key, J, Tambar, U.K, Bruick, R.K, Gardner, K.H.
Deposit date:2012-08-07
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Allosteric inhibition of hypoxia inducible factor-2 with small molecules.
Nat.Chem.Biol., 9, 2013
7YP3
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BU of 7yp3 by Molmil
Crystal structure of elaiophylin glycosyltransferase in complex with elaiophylin
Descriptor: ACETATE ION, Elaiophylin, GLYCEROL, ...
Authors:Xu, T, Liu, Q, Gan, Q, Liu, J.
Deposit date:2022-08-02
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Substrate-induced dimerization of elaiophylin glycosyltransferase reveals a novel self-activating form of glycosyltransferase for symmetric glycosylation.
Acta Crystallogr D Struct Biol, 78, 2022
7YP6
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BU of 7yp6 by Molmil
Crystal structure of elaiophylin glycosyltransferase in complex with UDP
Descriptor: Glycosyltransferase, R-1,2-PROPANEDIOL, URIDINE-5'-DIPHOSPHATE
Authors:Xu, T, Liu, Q, Gan, Q, Liu, J.
Deposit date:2022-08-02
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Substrate-induced dimerization of elaiophylin glycosyltransferase reveals a novel self-activating form of glycosyltransferase for symmetric glycosylation.
Acta Crystallogr D Struct Biol, 78, 2022
7YP5
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BU of 7yp5 by Molmil
Crystal structure of elaiophylin glycosyltransferase in complex with TDP
Descriptor: CHLORIDE ION, Glycosyltransferase, R-1,2-PROPANEDIOL, ...
Authors:Xu, T, Liu, Q, Gan, Q, Liu, J.
Deposit date:2022-08-02
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Substrate-induced dimerization of elaiophylin glycosyltransferase reveals a novel self-activating form of glycosyltransferase for symmetric glycosylation.
Acta Crystallogr D Struct Biol, 78, 2022
7YP4
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BU of 7yp4 by Molmil
Crystal structure of elaiophylin glycosyltransferase in apo-form
Descriptor: Glycosyltransferase, R-1,2-PROPANEDIOL
Authors:Xu, T, Liu, Q, Gan, Q, Liu, J.
Deposit date:2022-08-02
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Substrate-induced dimerization of elaiophylin glycosyltransferase reveals a novel self-activating form of glycosyltransferase for symmetric glycosylation.
Acta Crystallogr D Struct Biol, 78, 2022
7VPP
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BU of 7vpp by Molmil
Structures of a deltacoronavirus spike protein bound to porcine and human receptors indicate the risk of virus adaptation to humans
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ji, W, Xu, Y, Zhang, S.
Deposit date:2021-10-17
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structures of a deltacoronavirus spike protein bound to porcine and human receptors.
Nat Commun, 13, 2022
7VPQ
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BU of 7vpq by Molmil
Structures of a deltacoronavirus spike protein bound to porcine and human receptors indicate the risk of virus adaptation to humans
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ji, W, Xu, Y, Zhang, S.
Deposit date:2021-10-17
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of a deltacoronavirus spike protein bound to porcine and human receptors.
Nat Commun, 13, 2022
7VOC
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BU of 7voc by Molmil
The crystal structure of a Radical SAM Enzyme BlsE involved in the Biosynthesis of Blasticidin S
Descriptor: (2~{S},3~{S},4~{S},5~{R},6~{R})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid, Cytosylglucuronate decarboxylase, GLYCEROL, ...
Authors:Hou, X.L, Zhou, J.H.
Deposit date:2021-10-13
Release date:2022-05-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.62005424 Å)
Cite:Radical S -Adenosyl Methionine Enzyme BlsE Catalyzes a Radical-Mediated 1,2-Diol Dehydration during the Biosynthesis of Blasticidin S.
J.Am.Chem.Soc., 144, 2022
7VOB
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BU of 7vob by Molmil
The crystal structure of a Radical SAM Enzyme BlsE involved in the Biosynthesis of Blasticidin S
Descriptor: CHLORIDE ION, Cytosylglucuronate decarboxylase, GLYCEROL, ...
Authors:Hou, X.L, Zhou, J.H.
Deposit date:2021-10-13
Release date:2022-05-04
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.092241 Å)
Cite:Radical S -Adenosyl Methionine Enzyme BlsE Catalyzes a Radical-Mediated 1,2-Diol Dehydration during the Biosynthesis of Blasticidin S.
J.Am.Chem.Soc., 144, 2022
7WL3
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BU of 7wl3 by Molmil
CVB5 expended empty particle
Descriptor: Capsid protein, Genome polyprotein
Authors:Yang, P, Wang, K.
Deposit date:2022-01-12
Release date:2022-03-30
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Atomic Structures of Coxsackievirus B5 Provide Key Information on Viral Evolution and Survival.
J.Virol., 96, 2022
7WF9
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BU of 7wf9 by Molmil
Crystal structure of mouse SNX25 RGS domain in space group P41212
Descriptor: Sorting nexin-25
Authors:Zhang, Y, Xu, J, Liu, J.
Deposit date:2021-12-26
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Studies Reveal Unique Non-canonical Regulators of G Protein Signaling Homology (RH) Domains in Sorting Nexins.
J.Mol.Biol., 434, 2022
7WF8
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BU of 7wf8 by Molmil
Crystal structure of mouse SNX25 RGS domain in space group P212121
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Zhang, Y, Xu, J, Liu, J.
Deposit date:2021-12-26
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural Studies Reveal Unique Non-canonical Regulators of G Protein Signaling Homology (RH) Domains in Sorting Nexins.
J.Mol.Biol., 434, 2022
7WF6
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BU of 7wf6 by Molmil
Crystal structure of SNX13 RGS domain
Descriptor: CHLORIDE ION, Sorting nexin-13
Authors:Xu, J, Zhu, J, Liu, J.
Deposit date:2021-12-26
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structural Studies Reveal Unique Non-canonical Regulators of G Protein Signaling Homology (RH) Domains in Sorting Nexins.
J.Mol.Biol., 434, 2022
7XB2
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BU of 7xb2 by Molmil
CVB5-intermediate altered particle containing VP1/VP2/VP3 and RNA genome
Descriptor: Genome polyprotein
Authors:Yang, P, Wang, K.
Deposit date:2022-03-20
Release date:2022-03-30
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Atomic Structures of Coxsackievirus B5 Provide Key Information on Viral Evolution and Survival.
J.Virol., 96, 2022
7ARO
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BU of 7aro by Molmil
Crystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptor
Descriptor: 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ...
Authors:Verdon, G, Amelia, T, van Veldhoven, J, Falsini, M, Liu, R, Heitman, L, van Westen, G, Segala, E, Cheng, R, Cooke, R, van der Es, D, Ijzerman, A.
Deposit date:2020-10-25
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.119 Å)
Cite:Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A 2A Receptor.
J.Med.Chem., 64, 2021
3NCZ
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BU of 3ncz by Molmil
X-Ray Co-structure of Rho-Associated Protein Kinase (ROCK1) with a potent 2H-isoquinolin-1-one inhibitor
Descriptor: Rho-associated protein kinase 1, cis-4-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)cyclohexanecarboxamide
Authors:Li, X.
Deposit date:2010-06-06
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: Part 2, optimization for blood pressure reduction in spontaneously hypertensive rats.
Bioorg.Med.Chem.Lett., 20, 2010
3NDM
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BU of 3ndm by Molmil
Crystal structure of Rho-Associated Protein Kinase (ROCK1) with a potent isoquinolone derivative
Descriptor: (3S,4R)-N-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide, Rho-Associated Protein Kinase (ROCK1)
Authors:Li, X.
Deposit date:2010-06-07
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: part 3, aryl substituted pyrrolidines.
Bioorg.Med.Chem.Lett., 20, 2010
8JQ9
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BU of 8jq9 by Molmil
Novel Anti-phage System
Descriptor: Endonuclease GajA
Authors:Li, J, Wang, Z, Wang, L.
Deposit date:2023-06-13
Release date:2024-02-28
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8JQC
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BU of 8jqc by Molmil
Novel Anti-phage System
Descriptor: Endonuclease GajA, Gabija protein GajB
Authors:Li, J, Wang, Z, Wang, L.
Deposit date:2023-06-13
Release date:2024-02-28
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8JQB
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BU of 8jqb by Molmil
Structure of Gabija GajA-GajB 4:4 Complex
Descriptor: Endonuclease GajA, Gabija protein GajB
Authors:Li, J, Wang, Z, Wang, L.
Deposit date:2023-06-13
Release date:2024-02-28
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
4WXR
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BU of 4wxr by Molmil
X-ray crystal structure of NS3 Helicase from HCV with a bound inhibitor at 2.42 A resolution
Descriptor: NS3, {6-(3,5-diaminophenyl)-1-[4-(propan-2-yl)benzyl]-1H-indol-3-yl}acetic acid
Authors:Davies, D.R, Kim, H, Lorimer, D.
Deposit date:2014-11-14
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:crystal structure of NS3 Helicase from HCV with a bound inhibitor
TO BE PUBLISHED

221716

数据于2024-06-26公开中

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