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6Y9W
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BU of 6y9w by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,8)
Descriptor: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
Authors:Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
Deposit date:2020-03-10
Release date:2020-08-19
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
4PHW
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BU of 4phw by Molmil
Crystal Structure of PDE10A with 1H-benzimidazol-2-yl(4-((3-(tetrahydro-2H-pyran-4-yl)-2-pyridinyl)oxy)phenyl)methanone
Descriptor: 1H-benzimidazol-2-yl(4-{[3-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]oxy}phenyl)methanone, SULFATE ION, ZINC ION, ...
Authors:Chmait, S.
Deposit date:2014-05-07
Release date:2014-08-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Clinical Candidate 1-(4-(3-(4-(1H-Benzo[d]imidazole-2-carbonyl)phenoxy)pyrazin-2-yl)piperidin-1-yl)ethanone (AMG 579), A Potent, Selective, and Efficacious Inhibitor of Phosphodiesterase 10A (PDE10A).
J.Med.Chem., 57, 2014
6U28
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BU of 6u28 by Molmil
Crystal structure of 1918 NS1-ED W187A in complex with the p85-beta-iSH2 domain of human PI3K
Descriptor: Non-structural protein 1, Phosphatidylinositol 3-kinase regulatory subunit beta
Authors:Cho, J.H, Zhao, B, Savage, N, Li, P.
Deposit date:2019-08-19
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Molecular recognition of a host protein by NS1 of pandemic and seasonal influenza A viruses.
Proc.Natl.Acad.Sci.USA, 117, 2020
4P1R
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BU of 4p1r by Molmil
Crystal Structure of PDE10A with Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors
Descriptor: GLYCEROL, N-[4-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine, SULFATE ION, ...
Authors:Chmait, S.
Deposit date:2014-02-27
Release date:2014-07-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.243 Å)
Cite:Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Acs Med.Chem.Lett., 5, 2014
3GXU
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BU of 3gxu by Molmil
Crystal structure of Eph receptor and ephrin complex
Descriptor: Ephrin type-A receptor 4, Ephrin-B2
Authors:Qin, H.N, Song, J.X.
Deposit date:2009-04-03
Release date:2009-10-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural characterization of the EphA4-ephrin-B2 complex reveals new features enabling Eph-ephrin binding promiscuity
J.Biol.Chem., 2009
6MIE
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BU of 6mie by Molmil
Solution NMR structure of the KCNQ1 voltage-sensing domain
Descriptor: Potassium voltage-gated channel subfamily KQT member 1
Authors:Taylor, K.C, Kuenze, G, Smith, J.A, Meiler, J, McFeeters, R.L, Sanders, C.R.
Deposit date:2018-09-19
Release date:2020-03-04
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure and physiological function of the human KCNQ1 channel voltage sensor intermediate state.
Elife, 9, 2020
4C62
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BU of 4c62 by Molmil
Inhibitors of Jak2 Kinase domain
Descriptor: ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2
Authors:Read, J, Green, I, Pollard, H, Howard, T.
Deposit date:2013-09-17
Release date:2014-01-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
6MNL
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BU of 6mnl by Molmil
NMR solution structures of second bromodomain of BRD4 with FOXO3a peptide
Descriptor: Bromodomain-containing protein 4, FOXO3a peptide
Authors:Zeng, L, Zhou, M.-M.
Deposit date:2018-10-02
Release date:2018-10-31
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Targeting the BRD4/FOXO3a/CDK6 axis sensitizes AKT inhibition in luminal breast cancer.
Nat Commun, 9, 2018
4C61
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BU of 4c61 by Molmil
Inhibitors of Jak2 Kinase domain
Descriptor: ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2
Authors:Read, J.A, Green, I, Pollard, H, Howard, T.
Deposit date:2013-09-17
Release date:2014-01-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
7Y6F
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BU of 7y6f by Molmil
Cryo-EM structure of Apo form of ScBfr
Descriptor: Bacterioferritin, FE (II) ION, FE (III) ION, ...
Authors:Jobichen, C, Sivaraman, J.
Deposit date:2022-06-20
Release date:2023-07-05
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Bacterioferritin nanocage structures uncover the biomineralization process in ferritins.
Pnas Nexus, 2, 2023
7Y6G
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BU of 7y6g by Molmil
Cryo-EM structure of bacterioferritin holoform 1a
Descriptor: Bacterioferritin, FE (II) ION, FE (III) ION, ...
Authors:Jobichen, C, Sivaraman, J.
Deposit date:2022-06-20
Release date:2023-07-05
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Bacterioferritin nanocage structures uncover the biomineralization process in ferritins.
Pnas Nexus, 2, 2023
7Y6P
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BU of 7y6p by Molmil
Cryo-EM structure if bacterioferritin holoform
Descriptor: Bacterioferritin, FE (II) ION, FE (III) ION, ...
Authors:Jobichen, C, Sivaraman, J.
Deposit date:2022-06-21
Release date:2023-07-05
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Bacterioferritin nanocage structures uncover the biomineralization process in ferritins.
Pnas Nexus, 2, 2023
5E1E
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BU of 5e1e by Molmil
Human JAK1 kinase in complex with compound 30 at 2.30 Angstroms resolution
Descriptor: 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine, DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase JAK1
Authors:Ferguson, A.D.
Deposit date:2015-09-29
Release date:2015-11-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of azabenzimidazoles as potent JAK1 selective inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5ENM
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BU of 5enm by Molmil
Compound 10
Descriptor: (2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Lewis, H.A.
Deposit date:2015-11-09
Release date:2016-10-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016
5ENK
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BU of 5enk by Molmil
Compound 18
Descriptor: (4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Lewis, H.A.
Deposit date:2015-11-09
Release date:2016-07-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016
4P6X
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BU of 4p6x by Molmil
Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain
Descriptor: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, Glucocorticoid receptor, Nuclear receptor coactivator 2
Authors:He, Y, Zhou, X.E, Tolbert, W.D, Powell, K, Melcher, K, Xu, H.E.
Deposit date:2014-03-25
Release date:2014-04-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures and mechanism for the design of highly potent glucocorticoids.
Cell Res., 24, 2014
9D6E
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BU of 9d6e by Molmil
Gag CA-SP1 immature lattice bound with Bevirimat from enveloped virus like particles
Descriptor: 3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid, Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
Authors:Wu, C, Meuser, M.E, Xiong, Y.
Deposit date:2024-08-14
Release date:2024-10-30
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structural insights into inhibitor mechanisms on immature HIV-1 Gag lattice revealed by high-resolution in situ single-particle cryo-EM.
Biorxiv, 2024
9D6D
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BU of 9d6d by Molmil
Gag CA-SP1 immature lattice bound with Lenacapavir from enveloped virus like particles
Descriptor: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE, Lenacapavir
Authors:Wu, C, Meuser, M.E, Xiong, Y.
Deposit date:2024-08-14
Release date:2024-10-30
Last modified:2024-12-25
Method:ELECTRON MICROSCOPY (2.18 Å)
Cite:Structural insights into inhibitor mechanisms on immature HIV-1 Gag lattice revealed by high-resolution in situ single-particle cryo-EM.
Biorxiv, 2024
9D88
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BU of 9d88 by Molmil
Gag CA-SP1 immature lattice from enveloped and perforated virus like particles
Descriptor: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
Authors:Wu, C, Meuser, M.E, Xiong, Y.
Deposit date:2024-08-19
Release date:2024-10-30
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural insights into inhibitor mechanisms on immature HIV-1 Gag lattice revealed by high-resolution in situ single-particle cryo-EM.
Biorxiv, 2024
9D6C
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BU of 9d6c by Molmil
Gag CA-SP1 immature lattice bound with Lenacapavir and Bevirimat from enveloped virus like particles
Descriptor: 3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid, Gag, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Wu, C, Meuser, M.E, Xiong, Y.
Deposit date:2024-08-14
Release date:2024-10-30
Last modified:2024-12-25
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Structural insights into inhibitor mechanisms on immature HIV-1 Gag lattice revealed by high-resolution in situ single-particle cryo-EM.
Biorxiv, 2024
9DWD
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BU of 9dwd by Molmil
Gag CA-SP1 immature lattice bound with Lenacapavir from enveloped virus like particles (T8I)
Descriptor: Gag, INOSITOL HEXAKISPHOSPHATE, Lenacapavir
Authors:Wu, C, Meuser, M.E, Xiong, Y.
Deposit date:2024-10-09
Release date:2024-10-30
Last modified:2024-12-25
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structural insights into inhibitor mechanisms on immature HIV-1 Gag lattice revealed by high-resolution in situ single-particle cryo-EM.
Biorxiv, 2024
9CWV
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BU of 9cwv by Molmil
Gag CA-SP1 immature lattice from intact enveloped virus-like particles
Descriptor: Gag, INOSITOL HEXAKISPHOSPHATE
Authors:Wu, C, Meuser, M.E, Xiong, Y.
Deposit date:2024-07-30
Release date:2024-10-30
Method:ELECTRON MICROSCOPY (2.42 Å)
Cite:Structural insights into inhibitor mechanisms on immature HIV-1 Gag lattice revealed by high-resolution in situ single-particle cryo-EM.
Biorxiv, 2024
9IVK
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BU of 9ivk by Molmil
cryo-EM structure of a tmFAP
Descriptor: 4-[(Z)-1-cyano-2-{6-[(2-hydroxyethyl)(methyl)amino]-1-benzothiophen-2-yl}ethenyl]benzonitrile, HBC599 membrane protein binder, Heavy chain, ...
Authors:Sun, K, Zhu, J.Y, Liang, M.F, Lu, P.L.
Deposit date:2024-07-23
Release date:2024-11-20
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:De novo design of transmembrane fluorescence-activating proteins.
Nature, 640, 2025
4P6W
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BU of 4p6w by Molmil
Crystal Structure of mometasone furoate-bound glucocorticoid receptor ligand binding domain
Descriptor: Glucocorticoid receptor, MOMETASONE FUROATE, Nuclear receptor coactivator 2
Authors:He, Y, Zhou, X.E, Tolbert, W.D, Powell, K, Melcher, K, Xu, H.E.
Deposit date:2014-03-25
Release date:2014-04-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Structures and mechanism for the design of highly potent glucocorticoids.
Cell Res., 24, 2014
5B5R
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BU of 5b5r by Molmil
Crystal structure of GSDMA3
Descriptor: Gasdermin-A3
Authors:Ding, J, Shao, F.
Deposit date:2016-05-14
Release date:2016-06-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Pore-forming activity and structural autoinhibition of the gasdermin family.
Nature, 535, 2016

238582

数据于2025-07-09公开中

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