7SGK
 
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8EN6
 | | Structure of GII.4 norovirus in complex with Nanobody 76 | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GII.4 P domain, ... | | Authors: | Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G. | | Deposit date: | 2022-09-28 | | Release date: | 2023-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
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8EMY
 | | Structure of GII.4 norovirus in complex with Nanobody 82 | | Descriptor: | 1,2-ETHANEDIOL, GII.4 P domain, Nanobody 82 | | Authors: | Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G. | | Deposit date: | 2022-09-28 | | Release date: | 2023-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
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8EN3
 | | Structure of GII.17 norovirus in complex with Nanobody 45 | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein VP1, Nanobody 45 | | Authors: | Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G. | | Deposit date: | 2022-09-28 | | Release date: | 2023-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
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8EN2
 | | Structure of GII.10 norovirus in complex with Nanobody 34 | | Descriptor: | 1,2-ETHANEDIOL, GII.10 P domain, Nanobody 34 | | Authors: | Kher, G, Sabin, C, Koromyslova, A, Pancera, M, Hansman, G. | | Deposit date: | 2022-09-28 | | Release date: | 2023-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
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6F5M
 | | Crystal structure of highly glycosylated human leukocyte elastase in complex with a thiazolidinedione inhibitor | | Descriptor: | 5-[[4-[[(2~{S})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate, ACETATE ION, Neutrophil elastase, ... | | Authors: | Hochscherf, J, Pietsch, M, Tieu, W, Kuan, K, Hautmann, S, Abell, A, Guetschow, M, Niefind, K. | | Deposit date: | 2017-12-01 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of highly glycosylated human leukocyte elastase in complex with an S2' site binding inhibitor.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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8QKY
 | | Bacteriophage T5 dUTPase | | Descriptor: | Deoxyuridine 5'-triphosphate nucleotidohydrolase, GLYCEROL | | Authors: | Gabdulkhakov, A.G, Dzhus, U.F, Selikhanov, G.K, Glukhov, A.S. | | Deposit date: | 2023-09-18 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Bacteriophage T5 dUTPase: Combination of Common Enzymatic and Novel Functions.
Int J Mol Sci, 25, 2024
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8QLD
 | | Bacteriophage T5 dUTPase mutant with loop deletion (30-35 aa) | | Descriptor: | CHLORIDE ION, Deoxyuridine 5'-triphosphate nucleotidohydrolase, GLYCEROL, ... | | Authors: | Gabdulkhakov, A.G, Dzhus, U.F, Selikhanov, G.K, Glukhov, A.S. | | Deposit date: | 2023-09-19 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Bacteriophage T5 dUTPase: Combination of Common Enzymatic and Novel Functions.
Int J Mol Sci, 25, 2024
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7P0W
 | | Crystal structure of a trapped Pab-AGOG/double-standed DNA covalent intermediate (DNA containing thymine opposite to lesion) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*TP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*(PED)P*TP*TP*TP*CP*T)-3'), ... | | Authors: | Coste, F, Goffinont, S, Flament, D, Castaing, B. | | Deposit date: | 2021-06-30 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing.
Nucleic Acids Res., 50, 2022
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8GW4
 | | SARS-CoV-2 Mpro 1-302/C145A in complex with peptide 8-1 | | Descriptor: | Replicase polyprotein 1ab, peptide 8-1 | | Authors: | Liu, M, Huang, H. | | Deposit date: | 2022-09-16 | | Release date: | 2023-08-23 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7OY7
 | | Crystal structure of a trapped Pab-AGOG/double-standed DNA covalent intermediate (DNA containing cytosine opposite to lesion) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*CP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*(PED)P*TP*TP*TP*CP*T)-3'), ... | | Authors: | Coste, F, Goffinont, S, Flament, D, Castaing, B. | | Deposit date: | 2021-06-23 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing.
Nucleic Acids Res., 50, 2022
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8GWS
 | | SARS-CoV-2 Mpro 1-302 c145a in complex with peptide 4 | | Descriptor: | Replicase polyprotein 1ab, VAL-LYS-LEU-GLN-ALA-ILE-PHE-ARG | | Authors: | Liu, M, Fu, Z, Huang, H. | | Deposit date: | 2022-09-17 | | Release date: | 2023-08-23 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
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6THV
 | | X-ray structure of the Danio rerio histone deacetylase 6 (HDAC6; catalytic domain 2) in complex with Tubastatin A | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Barinka, C, Motlova, L, Svoboda, M. | | Deposit date: | 2019-11-21 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural and in Vivo Characterization of Tubastatin A, a Widely Used Histone Deacetylase 6 Inhibitor.
Acs Med.Chem.Lett., 11, 2020
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4AI8
 | | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH DAMINOZIDE | | Descriptor: | DAMINOZIDE, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ... | | Authors: | King, O.N.F, Chowdhury, R, Rose, N.R, McDonough, M.A, Clifton, I.J, Schofield, C.J, Kawamura, A. | | Deposit date: | 2012-02-08 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012
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4AI9
 | | JMJD2A Complexed with Daminozide | | Descriptor: | CHLORIDE ION, DAMINOZIDE, GLYCEROL, ... | | Authors: | Chowdhury, R, Schofield, C.J. | | Deposit date: | 2012-02-08 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012
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6DUV
 | | Crystal structure of the second bromodomain of human BRD4 in complex with MS417 inhibitor | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate | | Authors: | Babault, N, Zhou, M.M. | | Deposit date: | 2018-06-22 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of Bound Water Molecules in Differential Recognition of Di-Acetylated Histone Peptides by the BRD4 Bromodomains
To be published
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8H06
 | | Cryo-EM structure of SARS-CoV-2 Omicron BA.4/5 RBD in complex with human ACE2 (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F. | | Deposit date: | 2022-09-28 | | Release date: | 2023-07-19 | | Last modified: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
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8H5C
 | | Structure of SARS-CoV-2 Omicron BA.2.75 RBD in complex with human ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, Z.N, Bai, B, Liu, K.F, Qi, J.X, Gao, G.F. | | Deposit date: | 2022-10-12 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
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7SZQ
 | | Human P300 complexed with an azaindazole inhibitor | | Descriptor: | 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide, Histone acetyltransferase p300 | | Authors: | Shewchuk, L.M, Reid, R.A. | | Deposit date: | 2021-11-29 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022
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7SSK
 | | Human P300 complexed with a glycine-based inhibitor | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Histone acetyltransferase p300, ... | | Authors: | Shewchuk, L.M, Reid, R.A. | | Deposit date: | 2021-11-11 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022
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7SS8
 | | Human P300 complexed with a proline-based inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide, Histone acetyltransferase p300, ... | | Authors: | Shewchuk, L.M, Reid, R.A. | | Deposit date: | 2021-11-10 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022
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6V5A
 | | Crystal structure of the human BK channel gating ring L390P mutant | | Descriptor: | CALCIUM ION, Calcium-activated potassium channel subunit alpha-1, SULFATE ION | | Authors: | Deng, Z, Yuan, P. | | Deposit date: | 2019-12-03 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Coupling of Ca2+and voltage activation in BK channels through the alpha B helix/voltage sensor interface.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7BQA
 | | Crystal structure of ASFV p35 | | Descriptor: | 60 kDa polyprotein | | Authors: | Li, G.B, Fu, D, Chen, C, Guo, Y. | | Deposit date: | 2020-03-24 | | Release date: | 2020-06-24 | | Last modified: | 2021-05-05 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Crystal structure of the African swine fever virus structural protein p35 reveals its role for core shell assembly.
Protein Cell, 11, 2020
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7OLI
 | | Crystal structure of Pab-AGOG in complex with 8-oxoguanosine | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXY-8-OXOGUANOSINE, N-glycosylase/DNA lyase | | Authors: | Coste, F, Goffinont, S, Flament, D, Castaing, B. | | Deposit date: | 2021-05-20 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing.
Nucleic Acids Res., 50, 2022
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7OLB
 | | Crystal structure of Pab-AGOG, an 8-oxoguanine DNA glycosylase from Pyrococcus abyssi | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Coste, F, Goffinont, S, Flament, D, Castaing, B. | | Deposit date: | 2021-05-19 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing.
Nucleic Acids Res., 50, 2022
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