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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8H1J
| Cryo-EM structure of the TnpB-omegaRNA-target DNA ternary complex | Descriptor: | Non-target strand, RNA-guided DNA endonuclease TnpB, Target strand, ... | Authors: | Nakagawa, R, Hirano, H, Omura, S, Nureki, O. | Deposit date: | 2022-10-03 | Release date: | 2023-04-12 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structure of the transposon-associated TnpB enzyme. Nature, 616, 2023
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5T5T
| AMPK bound to allosteric activator | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Calabrese, M.F, Kurumbail, R.G. | Deposit date: | 2016-08-31 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.46 Å) | Cite: | Selective Activation of AMPK beta 1-Containing Isoforms Improves Kidney Function in a Rat Model of Diabetic Nephropathy. J. Pharmacol. Exp. Ther., 361, 2017
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8HL9
| Crystal structure of Galectin-8 C-CRD with part of linker | Descriptor: | Galectin-8 | Authors: | Si, Y.L. | Deposit date: | 2022-11-29 | Release date: | 2023-07-05 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Linker remodels human Galectin-8 structure and regulates its hemagglutination and pro-apoptotic activity. Int.J.Biol.Macromol., 245, 2023
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6H4U
| Crystal structure of human KDM4A in complex with compound 34b | Descriptor: | 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Le Bihan, Y.V, van Montfort, R.L.M. | Deposit date: | 2018-07-23 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4S
| Crystal structure of human KDM4A in complex with compound 16m | Descriptor: | 8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Le Bihan, Y.V, van Montfort, R.L.M. | Deposit date: | 2018-07-23 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4X
| Crystal structure of human KDM4A in complex with compound 17b | Descriptor: | 8-[4-[2-[4-(4-pyridin-3-ylphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Le Bihan, Y.V, van Montfort, R.L.M. | Deposit date: | 2018-07-23 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H51
| Crystal structure of human KDM5B in complex with compound 34f | Descriptor: | 1,2-ETHANEDIOL, 8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | Authors: | Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. | Deposit date: | 2018-07-23 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4V
| Crystal structure of human KDM4A in complex with compound 34g | Descriptor: | 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Le Bihan, Y.V, van Montfort, R.L.M. | Deposit date: | 2018-07-23 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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7E8M
| Crystal structure of SARS-CoV-2 antibody P2C-1F11 with mutated RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ... | Authors: | Wang, X.Q, Zhang, L.Q, Ge, J.W, Wang, R.K, Lan, J. | Deposit date: | 2021-03-02 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Analysis of SARS-CoV-2 variant mutations reveals neutralization escape mechanisms and the ability to use ACE2 receptors from additional species. Immunity, 54, 2021
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8OK2
| Bipartite interaction of TOPBP1 with the GINS complex | Descriptor: | DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, DNA replication complex GINS protein PSF3, ... | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | Deposit date: | 2023-03-26 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | TopBP1 utilises a bipartite GINS binding mode to support genome replication. Nat Commun, 15, 2024
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5YWO
| Structure of JEV-2F2 Fab complex | Descriptor: | 2F2 heavy chain, 2F2 light chain, JEV E protein, ... | Authors: | Qiu, X, Lei, Y.F, Yang, P, Gao, Q, Wang, N, Cao, L, Yuan, S, Wang, X, Xu, Z.K, Rao, Z. | Deposit date: | 2017-11-29 | Release date: | 2018-03-21 | Last modified: | 2018-09-12 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies Nat Microbiol, 3, 2018
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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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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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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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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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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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5YWF
| Crystal structure of 2H4 Fab | Descriptor: | 2H4 heavy chain, 2H4 light chain | Authors: | Qiu, X, Lei, Y, Yang, P, Gao, Q, Wang, N, Cao, L, Wang, X, Xu, Z.K, Rao, Z. | Deposit date: | 2017-11-29 | Release date: | 2018-03-21 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies Nat Microbiol, 3, 2018
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6H4T
| Crystal structure of human KDM4A in complex with compound 19a | Descriptor: | 8-[4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Le Bihan, Y.V, van Montfort, R.L.M. | Deposit date: | 2018-07-23 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4Q
| Crystal structure of human KDM4A in complex with compound 34a | Descriptor: | 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Le Bihan, Y.V, van Montfort, R.L.M. | Deposit date: | 2018-07-23 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H52
| Crystal structure of human KDM5B in complex with compound 34g | Descriptor: | 1,2-ETHANEDIOL, 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | Authors: | Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. | Deposit date: | 2018-07-23 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4W
| Crystal structure of human KDM4A in complex with compound 19d | Descriptor: | 8-[4-[2-[4-(3-chlorophenyl)-4-methyl-piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Le Bihan, Y.V, van Montfort, R.L.M. | Deposit date: | 2018-07-23 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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5YWP
| JEV-2H4 Fab complex | Descriptor: | 2H4 heavy chain, 2H4 light chain, JEV E protein, ... | Authors: | Qiu, X.D, Lei, Y.F, Yang, P, Gao, Q, WANG, N, Cao, L, Yuan, S, Wang, X.X, Xu, Z.K, Rao, Z.H. | Deposit date: | 2017-11-29 | Release date: | 2018-05-02 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies Nat Microbiol, 3, 2018
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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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