7UMS
 
 | | Structure of the VP5*/VP8* assembly from the human rotavirus strain CDC-9 in complex with antibody 41 - Upright conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fab 41 heavy chain, ... | | Authors: | Jenni, S, Zongli, L, Wang, Y, Bessey, T, Salgado, E.N, Schmidt, A.G, Greenberg, H.B, Jiang, B, Harrison, S.C. | | Deposit date: | 2022-04-07 | | Release date: | 2022-07-27 | | Last modified: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Rotavirus VP4 Epitope of a Broadly Neutralizing Human Antibody Defined by Its Structure Bound with an Attenuated-Strain Virion.
J.Virol., 96, 2022
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7UMT
 | | Structure of the VP5*/VP8* assembly from the human rotavirus strain CDC-9 - Reversed conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Intermediate capsid protein VP6, ... | | Authors: | Jenni, S, Zongli, L, Wang, Y, Bessey, T, Salgado, E.N, Schmidt, A.G, Greenberg, H.B, Jiang, B, Harrison, S.C. | | Deposit date: | 2022-04-07 | | Release date: | 2022-07-27 | | Last modified: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Rotavirus VP4 Epitope of a Broadly Neutralizing Human Antibody Defined by Its Structure Bound with an Attenuated-Strain Virion.
J.Virol., 96, 2022
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7NXJ
 | | Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531 | | Descriptor: | Cyclin-K, Cyclin-dependent kinase 13, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | | Authors: | Anand, K, Greifenberg, A.K, Kaltheuner, I.H, Geyer, M. | | Deposit date: | 2021-03-18 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
Eur.J.Med.Chem., 221, 2021
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7NXK
 | | Crystal structure of human Cdk12/Cyclin K in complex with the inhibitor BSJ-01-175 | | Descriptor: | (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide, Cyclin-K, Cyclin-dependent kinase 12 | | Authors: | Anand, K, Dust, S, Kaltheuner, I.H, Geyer, M. | | Deposit date: | 2021-03-18 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
Eur.J.Med.Chem., 221, 2021
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6XFV
 | | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C IN COMPLEX WITH A NOVEL INVERSE AGONIST | | Descriptor: | 1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one, Nuclear receptor ROR-gamma | | Authors: | Sack, J.S. | | Deposit date: | 2020-06-16 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of (3S,4S)-3-methyl-3-(4-fluorophenyl)-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxyprop-2-yl)phenyl)pyrrolidines as novel ROR gamma t inverse agonists.
Bioorg.Med.Chem.Lett., 30, 2020
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8KFD
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6ADQ
 | | Respiratory Complex CIII2CIV2SOD2 from Mycobacterium smegmatis | | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | | Authors: | Gong, H.R, Xu, A, Gao, R.G, Ji, W.X, Wang, S.H, Wang, Q, Li, J, Rao, Z.H. | | Deposit date: | 2018-08-01 | | Release date: | 2018-11-14 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | An electron transfer path connects subunits of a mycobacterial respiratory supercomplex.
Science, 362, 2018
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6A5M
 | | Crystal structure of Arabidopsis thaliana SUVH6 in complex with SAM, form 2 | | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-9 specific SUVH6, S-ADENOSYLMETHIONINE, ... | | Authors: | Li, X, Du, J. | | Deposit date: | 2018-06-24 | | Release date: | 2018-08-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Mechanistic insights into plant SUVH family H3K9 methyltransferases and their binding to context-biased non-CG DNA methylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6A5N
 | | Crystal structure of Arabidopsis thaliana SUVH6 in complex with methylated DNA | | Descriptor: | DNA (5'-D(*CP*AP*CP*TP*GP*CP*TP*GP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*GP*AP*GP*TP*AP*CP*TP*(5CM)P*AP*GP*CP*AP*GP*T)-3'), Histone-lysine N-methyltransferase, ... | | Authors: | Li, X, Du, J. | | Deposit date: | 2018-06-24 | | Release date: | 2018-08-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mechanistic insights into plant SUVH family H3K9 methyltransferases and their binding to context-biased non-CG DNA methylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6A5K
 | | Crystal structure of Arabidopsis thaliana SUVH6 in complex with SAM, form 1 | | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-9 specific SUVH6, S-ADENOSYLMETHIONINE, ... | | Authors: | Li, X, Du, J. | | Deposit date: | 2018-06-24 | | Release date: | 2018-08-29 | | Last modified: | 2018-09-26 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanistic insights into plant SUVH family H3K9 methyltransferases and their binding to context-biased non-CG DNA methylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5YKO
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5YKN
 | | crystal structure of Arabidopsis thaliana JMJ14 catalytic domain | | Descriptor: | NICKEL (II) ION, Probable lysine-specific demethylase JMJ14, ZINC ION | | Authors: | Yang, Z, Du, J. | | Deposit date: | 2017-10-15 | | Release date: | 2017-12-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Arabidopsis JMJ14-H3K4me3 Complex Provides Insight into the Substrate Specificity of KDM5 Subfamily Histone Demethylases.
Plant Cell, 30, 2018
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6J9A
 | | Crystal structure of Arabidopsis thaliana VAL1 in complex with FLC DNA fragment | | Descriptor: | B3 domain-containing transcription repressor VAL1, DNA (5'-D(*AP*AP*TP*CP*CP*AP*TP*GP*CP*AP*GP*AP*AP*TP*C)-3'), DNA (5'-D(*AP*TP*TP*CP*TP*GP*CP*AP*TP*GP*GP*AP*TP*TP*G)-3') | | Authors: | Hu, H, Du, J. | | Deposit date: | 2019-01-22 | | Release date: | 2019-05-29 | | Method: | X-RAY DIFFRACTION (2.915 Å) | | Cite: | Embryonic resetting of the parental vernalized state by two B3 domain transcription factors in Arabidopsis.
Nat.Plants, 5, 2019
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6J9C
 | | Crystal structure of Arabidopsis thaliana transcription factor LEC2-DNA complex | | Descriptor: | B3 domain-containing transcription factor LEC2, DNA (5'-D(*CP*AP*AP*TP*CP*CP*AP*TP*GP*CP*AP*GP*AP*AP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*CP*TP*GP*CP*AP*TP*GP*GP*AP*TP*T)-3') | | Authors: | Hu, H, Du, J. | | Deposit date: | 2019-01-22 | | Release date: | 2019-05-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.102 Å) | | Cite: | Embryonic resetting of the parental vernalized state by two B3 domain transcription factors in Arabidopsis.
Nat.Plants, 5, 2019
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6J9B
 | | Arabidopsis FUS3-DNA complex | | Descriptor: | B3 domain-containing transcription factor FUS3, DNA (5'-D(*AP*AP*TP*CP*CP*AP*TP*GP*CP*AP*GP*AP*AP*TP*C)-3'), DNA (5'-D(*AP*TP*TP*CP*TP*GP*CP*AP*TP*GP*GP*AP*TP*TP*G)-3') | | Authors: | Hu, H, Du, J. | | Deposit date: | 2019-01-22 | | Release date: | 2019-05-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Embryonic resetting of the parental vernalized state by two B3 domain transcription factors in Arabidopsis.
Nat.Plants, 5, 2019
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6KFW
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7EEZ
 | | crystal structure of maize SHH2 SAWADEE domain | | Descriptor: | HB transcription factor, ZINC ION | | Authors: | Wang, Y, Du, J. | | Deposit date: | 2021-03-20 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Recognition of H3K9me1 by maize RNA-directed DNA methylation factor SHH2.
J Integr Plant Biol, 63, 2021
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7EF1
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7EF2
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7EF3
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7EF0
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5VO6
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6KUZ
 | | E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSL01 | | Descriptor: | 3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehyde, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | Authors: | Chen, X, Hu, Y.L, Li, X.K, Guo, Y, Li, J. | | Deposit date: | 2019-09-03 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | First-generation species-selective chemical probes for fluorescence imaging of human senescence-associated beta-galactosidase.
Chem Sci, 11, 2020
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6AJH
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with AU1235 | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea, Drug exporters of the RND superfamily-like protein,Endolysin, ... | | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | | Deposit date: | 2018-08-27 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.818 Å) | | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
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6AJI
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with Rimonabant | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ... | | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | | Deposit date: | 2018-08-27 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
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