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4O6A
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BU of 4o6a by Molmil
Mouse cyclic GMP-AMP synthase (cGAS) in complex with DNA
Descriptor: Cyclic GMP-AMP synthase, DNA1, DNA2, ...
Authors:Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J.
Deposit date:2013-12-20
Release date:2014-02-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop.
Cell Rep, 6, 2014
4O69
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BU of 4o69 by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with sulfate ion
Descriptor: Cyclic GMP-AMP synthase, SULFATE ION, ZINC ION
Authors:Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J.
Deposit date:2013-12-20
Release date:2014-02-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop.
Cell Rep, 6, 2014
8IBX
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BU of 8ibx by Molmil
Structure of R2 with 3'UTR and DNA in unwinding state
Descriptor: 3'UTR, DNA (60-MER), Reverse transcriptase-like protein, ...
Authors:Deng, P, Tan, S, Wang, J, Liu, J.J.
Deposit date:2023-02-10
Release date:2023-09-20
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite:Structural RNA components supervise the sequential DNA cleavage in R2 retrotransposon.
Cell, 186, 2023
8IBW
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BU of 8ibw by Molmil
Structure of R2 with 3'UTR and DNA in binding state
Descriptor: 3'UTR, DNA (60-MER), Reverse transcriptase-like protein, ...
Authors:Deng, P, Tan, S, Wang, J, Liu, J.J.
Deposit date:2023-02-10
Release date:2023-09-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural RNA components supervise the sequential DNA cleavage in R2 retrotransposon.
Cell, 186, 2023
8IBZ
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BU of 8ibz by Molmil
Structure of R2 with 5'ORF and 3'UTR
Descriptor: 5ORF-linker-3UTR, Reverse transcriptase-like protein, ZINC ION
Authors:Deng, P, Tan, S, Wang, J, Liu, J.J.
Deposit date:2023-02-10
Release date:2023-09-20
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structural RNA components supervise the sequential DNA cleavage in R2 retrotransposon.
Cell, 186, 2023
4IMB
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BU of 4imb by Molmil
Structure of strictosidine synthase in complex with 2-(1-methyl-1H-indol-3-yl)ethanamine
Descriptor: 2-(1-methyl-1H-indol-3-yl)ethanamine, Strictosidine synthase
Authors:Stoeckigt, J, Fangrui, W, Wang, M, Rajendran, C.
Deposit date:2013-01-02
Release date:2014-01-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Using Strictosidine Synthase to Prepare Novel Alkaloids.
Curr.Med.Chem., 2015
5Z6Q
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BU of 5z6q by Molmil
Crystal structure of AAA of Spastin
Descriptor: CHLORIDE ION, Spastin
Authors:Lin, Z, Wang, C, Shen, Y.
Deposit date:2018-01-25
Release date:2018-12-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:The AAA protein spastin possesses two levels of basal ATPase activity
FEBS Lett., 592, 2018
8JIO
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BU of 8jio by Molmil
XBB spike protein (S) in complex with monoclonal antibody 6I18
Descriptor: 6I18 heavy chain, 6I18 light chain, Spike glycoprotein
Authors:Ma, Y, Mao, Q, Wang, Y, Zhang, Z.
Deposit date:2023-05-27
Release date:2024-05-29
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of XBB spike protein (S) in complex with monoclonal antibody 6I18 at 3.30 Angstroms resolution.
To Be Published
4JH0
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BU of 4jh0 by Molmil
Crystal structure of dipeptidyl-peptidase 4 (CD26, adenosine deaminase complexing protein 2) (DPP-IV-WT) complex with bms-767778 AKA 2-(3-(aminomethyl)-4-(2,4- dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6h-pyrrolo[3,4- b]pyridin-6-yl)-n,n-dimethylacetamide
Descriptor: 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide, Dipeptidyl peptidase 4
Authors:Klei, H.E.
Deposit date:2013-03-04
Release date:2013-09-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778).
J.Med.Chem., 56, 2013
4KSY
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BU of 4ksy by Molmil
Crystal structure of STING in complex with cGAMP
Descriptor: Stimulator of interferon genes protein, cGAMP
Authors:Zhang, X, Chen, Z.J, Zhang, X.W.
Deposit date:2013-05-18
Release date:2013-06-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:Cyclic GMP-AMP Containing Mixed Phosphodiester Linkages Is An Endogenous High-Affinity Ligand for STING.
Mol.Cell, 51, 2013
6AE8
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BU of 6ae8 by Molmil
Structure insight into histone chaperone Chz1-mediated H2A.Z recognition and replacement
Descriptor: BICINE, Histone H2A.Z-specific chaperone CHZ1, Histone H2B.1,Histone H2A.Z
Authors:Wang, Y.Y, Shan, S, Zhou, Z.
Deposit date:2018-08-03
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into histone chaperone Chz1-mediated H2A.Z recognition and histone replacement.
Plos Biol., 17, 2019
4IYG
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BU of 4iyg by Molmil
Structure of strictosidine synthase in complex with 2-(1H-INDOL-3-YL)-N-METHYLETHANAMINE
Descriptor: 2-(1H-indol-3-yl)-N-methylethanamine, Strictosidine synthase
Authors:Stoeckigt, J, Fangrui, W, Wang, M, Rajendran, C.
Deposit date:2013-01-28
Release date:2014-01-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Using Strictosidine Synthase to Prepare Novel Alkaloids.
Curr.Med.Chem., 2015
9FMR
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BU of 9fmr by Molmil
Structure of DDB1/Cdk12/Cyclin K with molecular glue SR-4835
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ...
Authors:Anand, K, Schmitz, M, Geyer, M.
Deposit date:2024-06-07
Release date:2024-10-16
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Discovery and design of molecular glue enhancers of CDK12-DDB1 interactions for targeted degradation of cyclin K.
Rsc Chem Biol, 6, 2024
9JMZ
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BU of 9jmz by Molmil
Cryo-EM structure of a human-infecting bovine influenza H5N1 hemagglutinin complexed with avian receptor analog LSTa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Wang, H.C, Han, P, Song, H, Gao, G.F.
Deposit date:2024-09-22
Release date:2025-01-22
Last modified:2025-03-12
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Receptor binding, structure, and tissue tropism of cattle-infecting H5N1 avian influenza virus hemagglutinin.
Cell, 188, 2025
9JN0
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BU of 9jn0 by Molmil
Cryo-EM structure of a human-infecting bovine influenza H5N1 hemagglutinin complexed with human receptor analog LSTc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Wang, H.C, Han, P, Song, H, Gao, G.F.
Deposit date:2024-09-22
Release date:2025-01-22
Last modified:2025-03-12
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Receptor binding, structure, and tissue tropism of cattle-infecting H5N1 avian influenza virus hemagglutinin.
Cell, 188, 2025
6E66
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BU of 6e66 by Molmil
Crystal structure of bacterial N-acetylglucosamine transferase NleB
Descriptor: 1,2-ETHANEDIOL, NleB
Authors:Yao, Q, Zheng, Y.Q, Shao, F.
Deposit date:2018-07-23
Release date:2019-06-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Functional Insights into Host Death Domains Inactivation by the Bacterial Arginine GlcNAcyltransferase Effector.
Mol.Cell, 74, 2019
2PJT
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BU of 2pjt by Molmil
Crystal structure of the catalytic domain of MMP-13 complexed with WAY-344
Descriptor: CALCIUM ION, Collagenase 3, TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE, ...
Authors:Xu, Z, Huang, A, Lovering, F, Levin, J.I, Mosyak, L.
Deposit date:2007-04-16
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket.
Bioorg.Med.Chem., 15, 2007
7V2A
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BU of 7v2a by Molmil
SARS-CoV-2 Spike trimer in complex with XG014 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, The heavy chain of XG014, ...
Authors:Wang, K, Wang, X, Pan, L.
Deposit date:2021-08-07
Release date:2021-10-20
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022
7WWH
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BU of 7wwh by Molmil
Crystal structure of the Geobacillus thermoglucosidasius feruloyl esterase GthFAE
Descriptor: Alpha/beta hydrolase
Authors:Yang, W, Wu, Y.
Deposit date:2022-02-12
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure-guided rational design of the Geobacillus thermoglucosidasius feruloyl esterase GthFAE to improve its thermostability.
Biochem.Biophys.Res.Commun., 600, 2022
7WLK
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BU of 7wlk by Molmil
CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with Otilonium Bromide(OB)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-[diethyl(methyl)-$l^{4}-azanyl]ethyl 4-[(2-octoxyphenyl)carbonylamino]benzoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y.
Deposit date:2022-01-13
Release date:2022-05-04
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
7WLI
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BU of 7wli by Molmil
CryoEM structure of human low-voltage activated T-type calcium channel CaV3.3 (apo)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y.
Deposit date:2022-01-13
Release date:2022-05-04
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
7WLL
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BU of 7wll by Molmil
CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with pimozide(PMZ)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one, ...
Authors:He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y.
Deposit date:2022-01-13
Release date:2022-05-04
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
8XFF
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BU of 8xff by Molmil
Cryo-EM structure of defence-associatedsirtuin 2 (DSR2) H171A protein in complex with SPR phage tail tube protein
Descriptor: DSR2(H171A), SPR tail tube protein
Authors:Li, Y, Zhang, H, Zheng, Q, Wu, Y, Li, S.
Deposit date:2023-12-13
Release date:2024-10-23
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural insights into activation mechanisms on NADase of the bacterial DSR2 anti-phage defense system.
Sci Adv, 10, 2024
8XFE
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BU of 8xfe by Molmil
Cryo-EM structure of defence-associated sirtuin 2 (DSR2) H171A protein in complex with DSR anti-defence 1(DSAD1)
Descriptor: DSAD1, DSR2(H171A)
Authors:Li, Y, Zhang, H, Zheng, Q, Wu, Y, Li, S.
Deposit date:2023-12-13
Release date:2024-10-23
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural insights into activation mechanisms on NADase of the bacterial DSR2 anti-phage defense system.
Sci Adv, 10, 2024
7WLJ
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BU of 7wlj by Molmil
CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with mibefradil (MIB)
Descriptor: (1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y.
Deposit date:2022-01-13
Release date:2022-05-04
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022

238582

数据于2025-07-09公开中

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