8G1Z
| |
8G20
| |
3D34
| Structure of the F-spondin domain of mindin | Descriptor: | CALCIUM ION, NICKEL (II) ION, Spondin-2 | Authors: | Li, Y, Mariuzza, R.A. | Deposit date: | 2008-05-09 | Release date: | 2009-02-17 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the F-spondin domain of mindin, an integrin ligand and pattern recognition molecule. Embo J., 28, 2009
|
|
4XHK
| PIM1 kinase in complex with Compound 1s | Descriptor: | 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1 | Authors: | Marcotte, D.J, Silvian, L.F. | Deposit date: | 2015-01-05 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based design of low-nanomolar PIM kinase inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
|
|
7CL0
| Crystal structure of human SIRT6 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
|
|
7CL1
| Human SIRT6 in complex with allosteric activator MDL-801 (3.2A) | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
|
|
6JFI
| The symmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex | Descriptor: | FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural protein E, ... | Authors: | Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q. | Deposit date: | 2019-02-08 | Release date: | 2019-04-10 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (11 Å) | Cite: | Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody. Cell Rep, 26, 2019
|
|
6JFH
| The asymmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex | Descriptor: | FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural E protein, ... | Authors: | Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q. | Deposit date: | 2019-02-08 | Release date: | 2019-04-10 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (20 Å) | Cite: | Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody. Cell Rep, 26, 2019
|
|
7SSM
| Crystal structure of human STING R232 in complex with compound 11 | Descriptor: | 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid, Stimulator of interferon genes protein | Authors: | Sack, J.S, Critton, D.A. | Deposit date: | 2021-11-11 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization. J.Med.Chem., 65, 2022
|
|
6JEP
| Structure of a neutralizing antibody bound to the Zika envelope protein domain III | Descriptor: | Genome polyprotein, heavy chain of Fab ZK2B10, light chain of Fab ZK2B10 | Authors: | Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q. | Deposit date: | 2019-02-07 | Release date: | 2019-05-15 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (2.316 Å) | Cite: | Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody. Cell Rep, 26, 2019
|
|
7XYD
| Crystal structure of TMPRSS2 in complex with Nafamostat | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | Authors: | Wang, H, Liu, X, Duan, Y, Liu, X, Sun, L, Yang, H. | Deposit date: | 2022-06-01 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
|
|
7Y0F
| Crystal structure of TMPRSS2 in complex with UK-371804 | Descriptor: | 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | Deposit date: | 2022-06-04 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
|
|
7Y0E
| Crystal structure of TMPRSS2 in complex with Camostat | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | Authors: | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | Deposit date: | 2022-06-04 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
|
|
8KHD
| The interface structure of Omicron RBD binding to 5817 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817, Light chain of 5817, ... | Authors: | Cao, L, Wang, X. | Deposit date: | 2023-08-21 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain. Cell Rep, 43, 2024
|
|
8KHC
| SARS-CoV-2 Omicron spike in complex with 5817 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, Heavy chain of 5817 Fab, ... | Authors: | Cao, L, Wang, X. | Deposit date: | 2023-08-21 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain. Cell Rep, 43, 2024
|
|
4X7Q
| PIM2 kinase in complex with Compound 1s | Descriptor: | 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-2 | Authors: | Marcotte, D.J, Silvian, L.F. | Deposit date: | 2014-12-09 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structure-based design of low-nanomolar PIM kinase inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
|
|
6LU7
| The crystal structure of COVID-19 main protease in complex with an inhibitor N3 | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | Deposit date: | 2020-01-26 | Release date: | 2020-02-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors. Nature, 582, 2020
|
|
5HW4
| Crystal structure of Escherichia coli 16S rRNA methyltransferase RsmI in complex with AdoMet | Descriptor: | Ribosomal RNA small subunit methyltransferase I, S-ADENOSYLMETHIONINE | Authors: | Zhao, M, Zhang, H, Dong, Y, Gong, Y. | Deposit date: | 2016-01-28 | Release date: | 2016-10-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.211 Å) | Cite: | Structural Insights into the Methylation of C1402 in 16S rRNA by Methyltransferase RsmI Plos One, 11, 2016
|
|
4L72
| Crystal structure of MERS-CoV complexed with human DPP4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | Authors: | Wang, X.Q, Wang, N.S. | Deposit date: | 2013-06-13 | Release date: | 2013-08-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.005 Å) | Cite: | Structure of MERS-CoV spike receptor-binding domain complexed with human receptor DPP4 Cell Res., 23, 2013
|
|
7YRD
| histone methyltransferase | Descriptor: | DNA (146-MER), Histone H2A.Z, Histone H2B 1.1, ... | Authors: | Li, H, Wang, W.Y. | Deposit date: | 2022-08-09 | Release date: | 2023-08-16 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insight into H4K20 methylation on H2A.Z-nucleosome by SUV420H1. Mol.Cell, 83, 2023
|
|
7YRG
| histone methyltransferase | Descriptor: | DNA (146-MER), Histone H2A.Z, Histone H2B 1.1, ... | Authors: | Li, H, Wang, W.Y. | Deposit date: | 2022-08-09 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural insight into H4K20 methylation on H2A.Z-nucleosome by SUV420H1. Mol.Cell, 83, 2023
|
|
6VA3
| Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MQC | Descriptor: | 4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide, RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3') | Authors: | Chen, J.L, Fountain, M.A, Disney, M.D. | Deposit date: | 2019-12-16 | Release date: | 2020-05-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing. J.Am.Chem.Soc., 142, 2020
|
|
3CID
| Structure of BACE Bound to SCH726222 | Descriptor: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | Authors: | Strickland, C, Cumming, J. | Deposit date: | 2008-03-11 | Release date: | 2008-06-10 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors Bioorg.Med.Chem.Lett., 18, 2008
|
|
6VA2
| Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MH5 | Descriptor: | (2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide), RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3') | Authors: | Chen, J.L, Fountain, M.A, Disney, M.D. | Deposit date: | 2019-12-16 | Release date: | 2020-05-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing. J.Am.Chem.Soc., 142, 2020
|
|
6VA1
| Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element | Descriptor: | RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3') | Authors: | Chen, J.L, Fountain, M.A, Disney, M.D. | Deposit date: | 2019-12-16 | Release date: | 2020-05-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing. J.Am.Chem.Soc., 142, 2020
|
|