7JTO
| Crystal structure of Protac MS33 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, Elongin-B, ... | Authors: | Kottur, J, Jain, R, Aggarwal, A.K. | Deposit date: | 2020-08-18 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models. Sci Transl Med, 13, 2021
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6C59
| Chimeric Pol kappa RIR Rev1 C-terminal domain | Descriptor: | ACETATE ION, Chimeric Pol kappa RIR Rev1 C-terminal domain | Authors: | Wojtaszek, J.L, Zhou, P. | Deposit date: | 2018-01-15 | Release date: | 2019-06-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy. Cell, 178, 2019
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6C8C
| Chimeric Pol kappa RIR Rev1 C-terminal domain in complex with JHRE06 | Descriptor: | 8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1H)-one, Chimeric protein of the Pol Kappa RIR helix and the Rev1 C-terminal domain | Authors: | Najeeb, J, Zhou, P. | Deposit date: | 2018-01-24 | Release date: | 2019-06-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy. Cell, 178, 2019
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7KPY
| Crystal structure of CBP bromodomain liganded with UMB298 (compound 23) | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{N}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine, Histone acetyltransferase | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2020-11-12 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Development of Dimethylisoxazole-Attached Imidazo[1,2- a ]pyridines as Potent and Selective CBP/P300 Inhibitors. J.Med.Chem., 64, 2021
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7KLK
| Human Arginase1 Complexed with Inhibitor Compound 3a | Descriptor: | 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, ... | Authors: | Palte, R.L. | Deposit date: | 2020-10-30 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology. Acs Med.Chem.Lett., 12, 2021
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7KLM
| Human Arginase1 Complexed with Inhibitor Compound 24a | Descriptor: | 3-[(2~{S},3~{R},4~{R})-4-[[(2~{S})-2-azanyl-3-methyl-butanoyl]amino]-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, MANGANESE (II) ION | Authors: | Palte, R.L. | Deposit date: | 2020-10-30 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology. Acs Med.Chem.Lett., 12, 2021
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7KLL
| Human Arginase1 Complexed with Inhibitor Compound 18 | Descriptor: | 3-[(2~{S},3~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, MANGANESE (II) ION | Authors: | Palte, R.L. | Deposit date: | 2020-10-30 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology. Acs Med.Chem.Lett., 12, 2021
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8SEH
| PHF Tau from Down Syndrome | Descriptor: | Microtubule-associated protein tau | Authors: | Hoq, M.R, Bharath, S.R, Jiang, W, Vago, F.S. | Deposit date: | 2023-04-10 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structures of amyloid-beta and tau filaments in Down syndrome. Nat.Struct.Mol.Biol., 2024
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8SEK
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8SEL
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8SEI
| SF Tau from Down Syndrome | Descriptor: | Microtubule-associated protein tau | Authors: | Hoq, M.R, Bharath, S.R, Jiang, W, Vago, F.S, Bharath, S.R. | Deposit date: | 2023-04-10 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structures of amyloid-beta and tau filaments in Down syndrome. Nat.Struct.Mol.Biol., 2024
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8SEJ
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8F9K
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8H03
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8GZ9
| Cryo-EM structure of Abeta2 fibril polymorph2 | Descriptor: | peptide self-assembled antimicrobial fibrils | Authors: | Xia, W.C, Zhang, M.M, Liu, C. | Deposit date: | 2022-09-26 | Release date: | 2023-09-20 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Engineering of antimicrobial peptide fibrils with feedback degradation of bacterial-secreted enzymes. Chem Sci, 14, 2023
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8GZ8
| Cryo-EM structure of Abeta2 fibril polymorph1 | Descriptor: | peptide self-assembled antimicrobial fibrils | Authors: | Xia, W.C, Zhang, M.M, Liu, C. | Deposit date: | 2022-09-26 | Release date: | 2023-09-20 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | Engineering of antimicrobial peptide fibrils with feedback degradation of bacterial-secreted enzymes. Chem Sci, 14, 2023
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8HN6
| Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD | Descriptor: | Heavy chain of monoclonal antibody 3G10, Light chain of monoclonal antibody 3G10, Spike protein S1 | Authors: | Qi, J, Chen, Y. | Deposit date: | 2022-12-07 | Release date: | 2023-05-17 | Last modified: | 2023-06-07 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents. Front Immunol, 14, 2023
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8HN7
| Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of monoclonal antibody 3C11, Light chain of monoclonal antibody 3C11, ... | Authors: | Qi, J, Chen, Y. | Deposit date: | 2022-12-07 | Release date: | 2023-05-17 | Last modified: | 2023-06-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents. Front Immunol, 14, 2023
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3LE9
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3O64
| Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based Tartrate Diamides | Descriptor: | (2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide, CALCIUM ION, ISOPROPYL ALCOHOL, ... | Authors: | Orth, P. | Deposit date: | 2010-07-28 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | 2-(2-Aminothiazol-4-yl)pyrrolidine-based tartrate diamides as potent, selective and orally bioavailable TACE inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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3NI2
| Crystal structures and enzymatic mechanisms of a Populus tomentosa 4-coumarate:CoA ligase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-coumarate:CoA ligase, 5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine | Authors: | Hu, Y, Yin, L, Gai, Y, Wang, X.X, Wang, D.C. | Deposit date: | 2010-06-14 | Release date: | 2010-09-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of a Populus tomentosa 4-coumarate:CoA ligase shed light on its enzymatic mechanisms Plant Cell, 22, 2010
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7CBZ
| Crystal structure of T2R-TTL-A31 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide, CALCIUM ION, ... | Authors: | Yang, J.H, Yan, W. | Deposit date: | 2020-06-15 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Design, Synthesis, and Bioactivity Evaluation of Dual-Target Inhibitors of Tubulin and Src Kinase Guided by Crystal Structure. J.Med.Chem., 64, 2021
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7FGE
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7FGD
| A naturally-occurring neuraminidase-inhibitors-resistant NA from asiatic toad influenza B-like virus | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, toad NA (OSE) | Authors: | Chai, Y, Wu, Y, Gao, F. | Deposit date: | 2021-07-26 | Release date: | 2022-08-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel. Proc.Natl.Acad.Sci.USA, 119, 2022
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7FGB
| A naturally-occurring neuraminidase-inhibitors-resistant NA from asiatic toad influenza B-like virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, SULFATE ION, ... | Authors: | Chai, Y, Wu, Y, Gao, F. | Deposit date: | 2021-07-26 | Release date: | 2022-08-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel. Proc.Natl.Acad.Sci.USA, 119, 2022
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