4IGP
 
 | | Histone H3 Lysine 4 Demethylating Rice JMJ703 apo enzyme | | Descriptor: | FE (III) ION, Os05g0196500 protein | | Authors: | Chen, Q.F, Chen, X.S, Wang, Q, Zhang, F.B, Lou, Z.Y, Zhang, Q.F, Zhou, D.X. | | Deposit date: | 2012-12-17 | | Release date: | 2013-04-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.003 Å) | | Cite: | Structural basis of a histone H3 lysine 4 demethylase required for stem elongation in rice.
PLoS Genet., 9, 2013
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5YS8
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7LTY
 | | Bruton's tyrosine kinase in complex with compound 23 | | Descriptor: | DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK, ~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide | | Authors: | Metrick, C.M, Marcotte, D.J. | | Deposit date: | 2021-02-20 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022
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7LTZ
 | | Bruton's tyrosine kinase in complex with compound 51 | | Descriptor: | 1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, ... | | Authors: | Metrick, C.M, Marcotte, D.J. | | Deposit date: | 2021-02-20 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022
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5HXG
 | | STM1697-FlhD complex | | Descriptor: | Flagellar transcriptional regulator FlhD, Uncharacterized protein STM1697 | | Authors: | Li, B, Yuan, Z, Qin, L, Gu, L. | | Deposit date: | 2016-01-30 | | Release date: | 2017-02-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Crystal structure of STM1697-FlhD complex
To Be Published
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7CN2
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8WUT
 | | SpCas9-MMLV RT-pegRNA-target DNA complex (initiation) | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, DNA (5'-D(*TP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*TP*AP*CP*TP*AP*G)-3'), DNA (51-MER), ... | | Authors: | Shuto, Y, Nakagawa, R, Hoki, M, Omura, S.N, Hirano, H, Itoh, Y, Nureki, O. | | Deposit date: | 2023-10-21 | | Release date: | 2024-06-05 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for pegRNA-guided reverse transcription by a prime editor.
Nature, 631, 2024
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8WUV
 | | SpCas9-MMLV RT-pegRNA-target DNA complex (elongation 16-nt) | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, DNA (5'-D(*TP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*TP*AP*CP*TP*AP*G)-3'), DNA (50-MER), ... | | Authors: | Shuto, Y, Nakagawa, R, Hoki, M, Omura, S.N, Hirano, H, Itoh, Y, Nureki, O. | | Deposit date: | 2023-10-21 | | Release date: | 2024-06-05 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for pegRNA-guided reverse transcription by a prime editor.
Nature, 631, 2024
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8WUS
 | | SpCas9-MMLV RT-pegRNA-target DNA complex (termination) | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, DNA (40-MER), DNA (5'-D(*TP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*TP*AP*CP*TP*AP*G)-3'), ... | | Authors: | Shuto, Y, Nakagawa, R, Hoki, M, Omura, S.N, Hirano, H, Itoh, Y, Nureki, O. | | Deposit date: | 2023-10-21 | | Release date: | 2024-06-05 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis for pegRNA-guided reverse transcription by a prime editor.
Nature, 631, 2024
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8WUU
 | | SpCas9-pegRNA-target DNA complex (pre-initiation) | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, DNA (34-MER), DNA (5'-D(*TP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*TP*AP*CP*TP*AP*G)-3'), ... | | Authors: | Shuto, Y, Nakagawa, R, Hoki, M, Omura, S.N, Hirano, H, Itoh, Y, Nureki, O. | | Deposit date: | 2023-10-21 | | Release date: | 2024-06-05 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for pegRNA-guided reverse transcription by a prime editor.
Nature, 631, 2024
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8IMF
 | | Human cGAS catalytic domain bound with baicalein | | Descriptor: | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Zhao, W.F, Xu, Y.C. | | Deposit date: | 2023-03-06 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids.
Bioorg.Chem., 140, 2023
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8IME
 | | Human cGAS catalytic domain bound with baicalin | | Descriptor: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Zhao, W.F, Xu, Y.C. | | Deposit date: | 2023-03-06 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids.
Bioorg.Chem., 140, 2023
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8IMG
 | | Human cGAS catalytic domain bound with C20 | | Descriptor: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Zhao, W.F, Li, J.M, Xu, Y.C. | | Deposit date: | 2023-03-06 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids.
Bioorg.Chem., 140, 2023
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7XHT
 | | Structure of the OgeuIscB-omega RNA-target DNA complex | | Descriptor: | DNA (49-MER), DNA (5'-D(P*GP*AP*AP*GP*AP*AP*AP*AP*CP*CP*AP*T)-3'), LAURYL DIMETHYLAMINE-N-OXIDE, ... | | Authors: | Kato, K, Okazaki, O, Isayama, Y, Ishikawa, J, Nishizawa, T, Nishimasu, H. | | Deposit date: | 2022-04-10 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | Structure of the IscB-omega RNA ribonucleoprotein complex, the likely ancestor of CRISPR-Cas9.
Nat Commun, 13, 2022
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8JE2
 | | Cryo-EM structure of neddylated Cul2-Rbx1-EloBC-FEM1B complexed with FNIP1-FLCN | | Descriptor: | Cullin-2, Elongin-B, Elongin-C, ... | | Authors: | Dai, Z, Liang, L, Yin, Y.X. | | Deposit date: | 2023-05-15 | | Release date: | 2024-02-28 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.63 Å) | | Cite: | Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
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8JE1
 | | An asymmetry dimer of the Cul2-Rbx1-EloBC-FEM1B ubiquitin ligase complexed with BEX2 | | Descriptor: | Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ... | | Authors: | Dai, Z, Liang, L, Yin, Y.X. | | Deposit date: | 2023-05-15 | | Release date: | 2024-02-28 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.95 Å) | | Cite: | Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
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8YGJ
 | | SpCas9-MMLV RT-pegRNA-target DNA complex (elongation 28-nt) | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, DNA (5'-D(P*TP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*TP*AP*CP*TP*AP*G)-3'), DNA (51-MER), ... | | Authors: | Shuto, Y, Nakagawa, R, Hoki, M, Omura, S.N, Hirano, H, Itoh, Y, Nureki, O. | | Deposit date: | 2024-02-26 | | Release date: | 2024-06-05 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for pegRNA-guided reverse transcription by a prime editor.
Nature, 631, 2024
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7E24
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7E28
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7EEI
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2HYW
 | | Human Annexin A2 with Calcium bound | | Descriptor: | Annexin A2, CALCIUM ION | | Authors: | Shao, C, Head, J.F, Seaton, B.A. | | Deposit date: | 2006-08-07 | | Release date: | 2006-09-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystallographic Analysis of Calcium-dependent Heparin Binding to Annexin A2.
J.Biol.Chem., 281, 2006
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2HYV
 | | Human Annexin A2 with heparin hexasaccharide bound | | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, Annexin A2, CALCIUM ION | | Authors: | Shao, C, Head, J.F, Seaton, B.A. | | Deposit date: | 2006-08-07 | | Release date: | 2006-09-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Crystallographic analysis of calcium-dependent heparin binding to annexin A2.
J.Biol.Chem., 281, 2006
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7Y7J
 | | SARS-CoV-2 S trimer in complex with 1F Fab | | Descriptor: | 1F VH, 1F VL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, S, Liu, F, Yang, X, Zhong, G. | | Deposit date: | 2022-06-22 | | Release date: | 2023-02-22 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
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7Y7K
 | | SARS-CoV-2 RBD in complex with 1F Fab | | Descriptor: | 1F VH, 1F VL, Spike protein S1 | | Authors: | Zhao, S, Liu, F, Yang, X, Zhong, G. | | Deposit date: | 2022-06-22 | | Release date: | 2023-02-22 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
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7AMZ
 | | Crystal structure of human Butyrylcholinesterase in complex with N-((2S,3R)-4-((2,2-dimethylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl)-2,2-diphenylacetamide | | Descriptor: | 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, Pasieka, A, Panek, D, Wieckowska, A. | | Deposit date: | 2020-10-10 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of multifunctional anti-Alzheimer's agents with a unique mechanism of action including inhibition of the enzyme butyrylcholinesterase and gamma-aminobutyric acid transporters.
Eur.J.Med.Chem., 218, 2021
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