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6NCL
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BU of 6ncl by Molmil
Near-atomic structure of icosahedrally averaged PBCV-1 capsid
Descriptor: Major capsid protein, P1, P10, ...
Authors:Fang, Q, Rossmann, M.G.
Deposit date:2018-12-11
Release date:2019-01-30
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Near-atomic structure of a giant virus.
Nat Commun, 10, 2019
6OCE
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BU of 6oce by Molmil
Structure of the rice hyperosmolality-gated ion channel OSCA1.2
Descriptor: stress-gated cation channel 1.2
Authors:Maity, K, Heumann, J.M, McGrath, A.P, Chang, G, Stowell, M.H.
Deposit date:2019-03-23
Release date:2019-07-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Cryo-EM structure of OSCA1.2 fromOryza sativaelucidates the mechanical basis of potential membrane hyperosmolality gating.
Proc.Natl.Acad.Sci.USA, 116, 2019
6ODF
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BU of 6odf by Molmil
EEEV glycoproteins bound with heparan sulfate
Descriptor: 2-O-sulfo-beta-L-galactopyranuronic acid-(1-4)-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid, E1, E2
Authors:Rossmann, M.G, Chen, C.L.
Deposit date:2019-03-26
Release date:2020-04-01
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Cryo-EM structure of eastern equine encephalitis virus in complex with heparan sulfate analogues.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NQD
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BU of 6nqd by Molmil
Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer in complex with 8ANC195 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 G52K5 heavy chain, ...
Authors:Fang, Q, Rossmann, M.G.
Deposit date:2019-01-21
Release date:2019-03-06
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:A sequestered fusion peptide in the structure of an HIV-1 transmitted founder envelope trimer.
Nat Commun, 10, 2019
2OBH
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BU of 2obh by Molmil
Centrin-XPC peptide
Descriptor: CALCIUM ION, Centrin-2, DNA-repair protein complementing XP-C cells
Authors:Charbonnier, J.B.
Deposit date:2006-12-19
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural, thermodynamic, and cellular characterization of human centrin 2 interaction with xeroderma pigmentosum group C protein.
J.Mol.Biol., 373, 2007
4Z2I
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BU of 4z2i by Molmil
Serratia marcescens Chitinase B complexed with macrolide inhibitor 30
Descriptor: (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate, Chitinase B, GLYCEROL, ...
Authors:Maita, N, Sugawara, A, Sunazuka, T.
Deposit date:2015-03-30
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
4Z2H
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BU of 4z2h by Molmil
Serratia marcescens Chitinase B complexed with macrolide inhibitor 29
Descriptor: (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[N'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate, CHLORIDE ION, Chitinase B, ...
Authors:Maita, N, Sugawara, A, Sunazuka, T.
Deposit date:2015-03-30
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
4Z2G
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BU of 4z2g by Molmil
Serratia marcescens Chitinase B complexed with macrolide inhibitor 26
Descriptor: (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {4-[N'-(methylcarbamoyl)carbamimidamido]butyl}carbamate, Chitinase B
Authors:Maita, N, Sugawara, A, Sunazuka, T.
Deposit date:2015-03-30
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
6IQN
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BU of 6iqn by Molmil
Crystal structure of TrkA kinase with ligand
Descriptor: 4-[[4-azanyl-3-(4-cyclohexylpiperazin-1-yl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid, High affinity nerve growth factor receptor
Authors:Noritaka, F.
Deposit date:2018-11-08
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:An isoform-selective inhibitor of tropomyosin receptor kinase A behaves as molecular glue.
Bioorg.Med.Chem.Lett., 30, 2020
4Z2J
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BU of 4z2j by Molmil
Serratia marcescens Chitinase B complexed with macrolide inhibitor 31
Descriptor: (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[N'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate, Chitinase B, GLYCEROL, ...
Authors:Maita, N, Sugawara, A, Sunazuka, T.
Deposit date:2015-03-30
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
4Z2L
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BU of 4z2l by Molmil
Serratia marcescens Chitinase B complexed with macrolide inhibitor 33
Descriptor: (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate, CHLORIDE ION, Chitinase B, ...
Authors:Maita, N, Sugawara, A, Sunazuka, T.
Deposit date:2015-03-30
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
4Z2K
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BU of 4z2k by Molmil
Serratia marcescens Chitinase B complexed with macrolide inhibitor 32
Descriptor: (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[N'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate, Chitinase B, GLYCEROL
Authors:Maita, N, Sugawara, A, Sunazuka, T.
Deposit date:2015-03-30
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
8RXH
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BU of 8rxh by Molmil
CRYO-EM STRUCTURE OF LEISHMANIA MAJOR 80S RIBOSOME WITH A/P/E-site tRNA AND mRNA : PARENTAL STRAIN
Descriptor: (2S)-2-[2-[4-[[(2R,3S,4S)-3-acetyloxy-4-oxidanyl-pyrrolidin-2-yl]methyl]phenoxy]ethanoylamino]-6-azanyl-hexanoic acid, 40S ribosomal protein S12, 40S ribosomal protein S14, ...
Authors:Rajan, K.S, Yonath, A.
Deposit date:2024-02-07
Release date:2024-05-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural and mechanistic insights into the function of Leishmania ribosome lacking a single pseudouridine modification.
Cell Rep, 43, 2024
8RXX
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BU of 8rxx by Molmil
CRYO-EM STRUCTURE OF LEISHMANIA MAJOR 80S RIBOSOME WITH A/P/E-site tRNA AND mRNA : LM32Cs3H1 sKO STRAIN
Descriptor: 40S ribosomal protein S12, 40S ribosomal protein S14, 40S ribosomal protein S19-like protein, ...
Authors:Rajan, K.S, Yonath, A.
Deposit date:2024-02-08
Release date:2024-05-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structural and mechanistic insights into the function of Leishmania ribosome lacking a single pseudouridine modification.
Cell Rep, 43, 2024
6MID
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BU of 6mid by Molmil
Cryo-EM structure of the ZIKV virion in complex with Fab fragments of the potently neutralizing human monoclonal antibody ZIKV-195
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E protein, M protein, ...
Authors:Long, F, Rossmann, M.G.
Deposit date:2018-09-19
Release date:2019-01-16
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis of a potent human monoclonal antibody against Zika virus targeting a quaternary epitope.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
7XVY
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BU of 7xvy by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with S-DPN
Descriptor: (2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Furuya, N, Handa, C.
Deposit date:2022-05-25
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.544 Å)
Cite:Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7XWQ
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BU of 7xwq by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R)-2-(2-chloro-4-hydroxyphenyl)-3-(4-hydroxyphenyl)propanenitrile
Descriptor: (2~{R})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
Authors:Furuya, N, Handa, C.
Deposit date:2022-05-27
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7MTB
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BU of 7mtb by Molmil
Rhodopsin kinase (GRK1)-S5E/S488E/T489E in complex with rhodopsin and Fab6
Descriptor: Fab6 heavy chain, Fab6 light chain, RETINAL, ...
Authors:Chen, Q, Chen, C.-L, Tesmer, J.J.G.
Deposit date:2021-05-13
Release date:2021-07-07
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structures of rhodopsin in complex with G-protein-coupled receptor kinase 1.
Nature, 595, 2021
7MT8
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BU of 7mt8 by Molmil
Rhodopsin kinase (GRK1)-S5E/S488E/T489E in complex with rhodopsin
Descriptor: RETINAL, Rhodopsin, Rhodopsin kinase GRK1, ...
Authors:Chen, Q, Chen, C.-L, Tesmer, J.J.G.
Deposit date:2021-05-13
Release date:2021-07-07
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Structures of rhodopsin in complex with G-protein-coupled receptor kinase 1.
Nature, 595, 2021
7MTA
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BU of 7mta by Molmil
Rhodopsin kinase (GRK1)-S5E/S488E/T489E in complex with rhodopsin and Fab1
Descriptor: Fab1 Heavy chain, Fab1 Light chain, RETINAL, ...
Authors:Chen, Q, Chen, C.-L, Tesmer, J.J.G.
Deposit date:2021-05-13
Release date:2021-07-07
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structures of rhodopsin in complex with G-protein-coupled receptor kinase 1.
Nature, 595, 2021
7MT9
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BU of 7mt9 by Molmil
Rhodopsin kinase (GRK1) in complex with rhodopsin
Descriptor: RETINAL, Rhodopsin, Rhodopsin kinase GRK1, ...
Authors:Chen, Q, Chen, C.-L, Tesmer, J.J.G.
Deposit date:2021-05-13
Release date:2021-07-07
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Structures of rhodopsin in complex with G-protein-coupled receptor kinase 1.
Nature, 595, 2021
7XWR
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BU of 7xwr by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (S)-2-(2-chloro-4-hydroxyphenyl)-3-(4-hydroxyphenyl)propanenitrile
Descriptor: (2~{S})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
Authors:Furuya, N, Handa, C.
Deposit date:2022-05-27
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.164 Å)
Cite:Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7Y1G
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BU of 7y1g by Molmil
Crystal structure of human PRKACA complexed with DS01080522
Descriptor: 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide, ZINC ION, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Suzuki, M, Ubukata, O, Toyoda, A.
Deposit date:2022-06-08
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel protein kinase cAMP-Activated Catalytic Subunit Alpha (PRKACA) inhibitor shows anti-tumor activity in a fibrolamellar hepatocellular carcinoma model.
Biochem.Biophys.Res.Commun., 621, 2022
7XWP
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BU of 7xwp by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (S)-3-(2-chloro-4-hydroxyphenyl)-2-(4-hydroxyphenyl)propanenitrile
Descriptor: (2~{S})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
Authors:Furuya, N, Handa, C.
Deposit date:2022-05-27
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.919 Å)
Cite:Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7XVZ
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BU of 7xvz by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R)-3-(2-chloro-4-hydroxyphenyl)-2-(4-hydroxyphenyl)propanenitrile
Descriptor: (2~{R})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
Authors:Furuya, N, Handa, C.
Deposit date:2022-05-25
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022

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