9M3R
 
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9ODR
 | | Structure of CRBN TBD bound to compound C1 | | Descriptor: | (3S)-3-(6-oxo-6,8-dihydro-2H,7H-spiro[furo[2,3-e]isoindole-3,4'-piperidin]-7-yl)piperidine-2,6-dione, Protein cereblon, ZINC ION | | Authors: | Strickland, C, Rice, C. | | Deposit date: | 2025-04-27 | | Release date: | 2025-05-28 | | Last modified: | 2025-06-25 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Discovery and Characterization of PVTX-321 as a Potent and Orally Bioavailable Estrogen Receptor Degrader for ER+/HER2- Breast Cancer.
J.Med.Chem., 68, 2025
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9M3T
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9ODS
 | | Structure of CRBN TBD bound to compound C3 | | Descriptor: | (1P)-1-[(4S)-8H-spiro[furo[2,3-c]imidazo[1,2-a]pyridine-7,4'-piperidin]-3-yl]pyrimidine-2,4(1H,3H)-dione, Protein cereblon, ZINC ION | | Authors: | Strickland, C, Rice, C. | | Deposit date: | 2025-04-27 | | Release date: | 2025-05-28 | | Last modified: | 2025-06-25 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Discovery and Characterization of PVTX-321 as a Potent and Orally Bioavailable Estrogen Receptor Degrader for ER+/HER2- Breast Cancer.
J.Med.Chem., 68, 2025
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9M3U
 | | Crystal structure of human pyruvate dehydrogenase kinase isoform 2 in complex with ATP competitive inhibitor 24 | | Descriptor: | 1,2-ETHANEDIOL, 2-cyano-N-[(3R)-1-[(3S)-3-ethyl-7-(ethylamino)-5-fluoranyl-2-oxidanylidene-1H-indol-3-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide, GLYCEROL, ... | | Authors: | Xu, Z.H, Chen, S, Han, L. | | Deposit date: | 2025-03-03 | | Release date: | 2025-06-25 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Discovery of ATP competitive PDHK1/2 dual inhibitors.
Bioorg.Med.Chem.Lett., 122, 2025
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7RTN
 | | Cryo-EM structure of bluetongue virus capsid protein VP5 at low endosomal pH | | Descriptor: | Outer capsid protein VP5 | | Authors: | Xia, X, Wu, W.N, Cui, Y.X, Roy, P, Zhou, Z.H. | | Deposit date: | 2021-08-13 | | Release date: | 2021-11-03 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Bluetongue virus capsid protein VP5 perforates membranes at low endosomal pH during viral entry.
Nat Microbiol, 6, 2021
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7RTO
 | | Cryo-EM structure of bluetongue virus capsid protein VP5 at low endosomal pH intermediate state 2 | | Descriptor: | Outer capsid protein VP5 | | Authors: | Xia, X, Wu, W.N, Cui, Y.X, Roy, P, Zhou, Z.H. | | Deposit date: | 2021-08-13 | | Release date: | 2021-11-03 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Bluetongue virus capsid protein VP5 perforates membranes at low endosomal pH during viral entry.
Nat Microbiol, 6, 2021
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5D1F
 | | Crystal structure of maize PDRP bound with AMP and Hg2+ | | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, MERCURY (II) ION, ... | | Authors: | Jiang, L, Chen, Z. | | Deposit date: | 2015-08-04 | | Release date: | 2016-02-24 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural Basis of Reversible Phosphorylation by Maize Pyruvate Orthophosphate Dikinase Regulatory Protein
Plant Physiol., 170, 2016
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6M1J
 | | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x | | Descriptor: | 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ... | | Authors: | Xu, Z.H, Zhou, Z. | | Deposit date: | 2020-02-26 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
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4NQJ
 | | Structure of coiled-coil domain | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, E3 ubiquitin-protein ligase TRIM69 | | Authors: | Yang, M, Li, Y. | | Deposit date: | 2013-11-25 | | Release date: | 2014-05-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.152 Å) | | Cite: | Structural insights into the TRIM family of ubiquitin E3 ligases.
Cell Res., 24, 2014
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8KA4
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8KA5
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8KA3
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9E9H
 | | Crystal structure of human KRAS G12C covalently bound to DEL triazine compound 5 | | Descriptor: | (3S)-N,5-dimethyl-3-({4-[3-(morpholin-4-yl)phenyl]-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-1,3,5-triazin-2-yl}amino)hexanamide, CALCIUM ION, GTPase KRas, ... | | Authors: | Mohr, C. | | Deposit date: | 2024-11-08 | | Release date: | 2025-02-26 | | Last modified: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Identification of Structurally Novel KRAS G12C Inhibitors through Covalent DNA-Encoded Library Screening.
J.Med.Chem., 68, 2025
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9E9I
 | | Crystal Structure of human KRAS G12C covalently bound to nopinone-derived naphthol compound 21 | | Descriptor: | 1,2-ETHANEDIOL, 1-{6-[(4P,6R,8R)-3-fluoro-4-(3-hydroxynaphthalen-1-yl)-7,7-dimethyl-5,6,7,8-tetrahydro-6,8-methanoquinolin-2-yl]-2,6-diazaspiro[3.4]octan-2-yl}propan-1-one, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Mohr, C. | | Deposit date: | 2024-11-08 | | Release date: | 2025-02-26 | | Last modified: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Identification of Structurally Novel KRAS G12C Inhibitors through Covalent DNA-Encoded Library Screening.
J.Med.Chem., 68, 2025
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6M1S
 | | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o | | Descriptor: | 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ... | | Authors: | Xu, Z.H, Zhou, Z. | | Deposit date: | 2020-02-26 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.254 Å) | | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
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3LON
 | | HCV NS3-4a protease domain with ketoamide inhibitor narlaprevir | | Descriptor: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, BETA-MERCAPTOETHANOL, Genome polyprotein, ... | | Authors: | Prongay, A.J. | | Deposit date: | 2010-02-04 | | Release date: | 2011-01-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Candidate selection and preclinical evaluation culminating in the discovery of Narlaprevir (SCH 900518): A potent, selective and orally efficacious second generation HCV NS3 serine protease inhibitor
To be Published
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8I8A
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8I8C
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8I8B
 | | Outer shell and inner layer structures of Autographa californica multiple nucleopolyhedrovirus (AcMNPV) | | Descriptor: | 38K, AcOrf-109 peptide, Early 49 Daa protein, ... | | Authors: | Jia, X, Gao, Y, Zhang, Q. | | Deposit date: | 2023-02-03 | | Release date: | 2023-12-13 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (4.31 Å) | | Cite: | Architecture of the baculovirus nucleocapsid revealed by cryo-EM.
Nat Commun, 14, 2023
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6U6M
 | | Crystal structure of a vaccine-elicited anti-HIV-1 rhesus macaque antibody DH840.1 | | Descriptor: | DH840.1 Fab heavy chain, DH840.1 Fab light chain | | Authors: | Chen, W.-H, Choe, M, Saunders, K.O, Joyce, M.G. | | Deposit date: | 2019-08-30 | | Release date: | 2021-03-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.683 Å) | | Cite: | Structural and genetic convergence of HIV-1 neutralizing antibodies in vaccinated non-human primates.
Plos Pathog., 17, 2021
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6U6O
 | | Crystal structure of a vaccine-elicited anti-HIV-1 rhesus macaque antibody DH846 | | Descriptor: | DH846 Fab heavy chain, DH846 Fab light chain | | Authors: | Chen, W.-H, Choe, M, Saunders, K.O, Joyce, M.G. | | Deposit date: | 2019-08-30 | | Release date: | 2021-03-24 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.806 Å) | | Cite: | Structural and genetic convergence of HIV-1 neutralizing antibodies in vaccinated non-human primates.
Plos Pathog., 17, 2021
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9MJ3
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9MJC
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9MK4
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