4R5Y
| The complex structure of Braf V600E kinase domain with a novel Braf inhibitor | Descriptor: | 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf | Authors: | Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M. | Deposit date: | 2014-08-22 | Release date: | 2016-02-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers. Mol.Cancer Ther., 14, 2015
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5XM7
| Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-N-hydroxy-4-methylpentanamide | Descriptor: | (2S)-4-methyl-N-[(1R)-2-(oxidanylamino)-2-oxidanylidene-1-phenyl-ethyl]-2-[(phenylmethyl)carbamoylamino]pentanamide, GLYCEROL, M1 family aminopeptidase, ... | Authors: | Marapaka, A.K, Zhang, Y, Addlagatta, A. | Deposit date: | 2017-05-12 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Development of peptidomimetic hydroxamates as PfA-M1 and PfA-M17 dual inhibitors: Biological evaluation and structural characterization by cocrystallization Chin.Chem.Lett., 33, 2022
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4Y8Z
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4Y8Y
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5Y1T
| Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2,3-dimethylbenzyl)ureido)-N-hydroxy-4-methylpentanamide | Descriptor: | (2S)-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide, GLYCEROL, M1 family aminopeptidase, ... | Authors: | Marapaka, A.K, Zhang, Y, Addlagatta, A. | Deposit date: | 2017-07-21 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Development of peptidomimetic hydroxamates as PfA-M1 and PfA-M17 dual inhibitors: Biological evaluation and structural characterization by cocrystallization Chin.Chem.Lett., 33, 2022
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5Y1K
| Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2-chlorobenzyl)ureido)-N-hydroxy-4-methylpentanamide | Descriptor: | (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide, GLYCEROL, M1 family aminopeptidase, ... | Authors: | Marapaka, A.K, Zhang, Y, Addlagatta, A. | Deposit date: | 2017-07-20 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Development of peptidomimetic hydroxamates as PfA-M1 and PfA-M17 dual inhibitors: Biological evaluation and structural characterization by cocrystallization Chin.Chem.Lett., 33, 2022
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5Y1Q
| Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(3-chlorobenzyl)ureido)-N-hydroxy-4-methylpentanamide | Descriptor: | (2S)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide, M1 family aminopeptidase, MAGNESIUM ION, ... | Authors: | Marapaka, A.K, Zhang, Y, Addlagatta, A. | Deposit date: | 2017-07-21 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Development of peptidomimetic hydroxamates as PfA-M1 and PfA-M17 dual inhibitors: Biological evaluation and structural characterization by cocrystallization Chin.Chem.Lett., 33, 2022
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4Y8X
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6LPA
| The nsp1 protein of a new porcine coronavirus | Descriptor: | sp1 protein | Authors: | Shen, Z, Peng, G.Q. | Deposit date: | 2020-01-09 | Release date: | 2020-08-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.105 Å) | Cite: | Structural and Biological Basis of Alphacoronavirus nsp1 Associated with Host Proliferation and Immune Evasion. Viruses, 12, 2020
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6LP9
| the protein of cat virus | Descriptor: | nsp1 protein | Authors: | Shen, Z, Peng, G.Q. | Deposit date: | 2020-01-09 | Release date: | 2020-08-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Structural and Biological Basis of Alphacoronavirus nsp1 Associated with Host Proliferation and Immune Evasion. Viruses, 12, 2020
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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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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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8WQW
| Cryo-EM structure of bsAb3 Fab-Gn-Gc complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein C, Glycoprotein N, ... | Authors: | Wu, Y, Sun, J.Q. | Deposit date: | 2023-10-12 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model. Proc.Natl.Acad.Sci.USA, 121, 2024
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8WSN
| Crystal structure of SFTSV Gn and antibody SF1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab1-H, ... | Authors: | Chang, Z, Gao, F, Wu, Y. | Deposit date: | 2023-10-17 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model. Proc.Natl.Acad.Sci.USA, 121, 2024
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8WSP
| Crystal structure of SFTSV Gn and antibody SF5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab5-H, Ab5-L, ... | Authors: | Chang, Z, Gao, F, Wu, Y. | Deposit date: | 2023-10-17 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model. Proc.Natl.Acad.Sci.USA, 121, 2024
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8WSU
| Crystal structure of SFTSV Gc and antibody | Descriptor: | Ab-H, Ab-L, Glycoprotein C | Authors: | Chang, Z, Gao, F, Wu, Y. | Deposit date: | 2023-10-17 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model. Proc.Natl.Acad.Sci.USA, 121, 2024
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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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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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8AM0
| Crystal structure of human T1061E PI3Kalpha in complex with its regulatory subunit and the inhibitor GDC-0077 (Inavolisib) | Descriptor: | (2R)-2-[[2-[(4S)-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Goncalves, M, Johnson, J.L, Roewer, K.M. | Deposit date: | 2022-08-02 | Release date: | 2023-12-13 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.818 Å) | Cite: | Epinephrine inhibits PI3K alpha via the Hippo kinases. Cell Rep, 42, 2023
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5ZZD
| Crystal structure of a protein from Aspergillus flavus | Descriptor: | O-methyltransferase lepI, S-ADENOSYLMETHIONINE | Authors: | Chang, Z.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-05-31 | Release date: | 2019-06-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of LepI, a multifunctional SAM-dependent enzyme which catalyzes pericyclic reactions in leporin biosynthesis. Org.Biomol.Chem., 17, 2019
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4QB3
| Crystal structure of the first bromodomain of human BRD4 in complex with Olinone | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[4-(1-oxo-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)butyl]acetamide | Authors: | Plotnikov, A.N, Joshua, J, Zhou, M.-M. | Deposit date: | 2014-05-06 | Release date: | 2015-04-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Selective chemical modulation of gene transcription favors oligodendrocyte lineage progression. Chem.Biol., 21, 2014
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6PLG
| Crystal structure of human PHGDH complexed with Compound 15 | Descriptor: | (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid, D-3-phosphoglycerate dehydrogenase, D-MALATE | Authors: | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | Deposit date: | 2019-06-30 | Release date: | 2019-07-24 | Last modified: | 2019-09-04 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg.Med.Chem.Lett., 29, 2019
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6OYL
| The structure of the PP2A B56 subunit KIF4A complex | Descriptor: | Chromosome-associated kinesin KIF4A, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform | Authors: | Wang, X, Page, R, Peti, W. | Deposit date: | 2019-05-14 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | A dynamic charge-charge interaction modulates PP2A:B56 substrate recruitment. Elife, 9, 2020
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2MJV
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