8FWM
 
 | | Structure of tail-neck junction of Agrobacterium phage Milano | | Descriptor: | Collar sheath protein, gp13, Tail sheath protein, ... | | Authors: | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | | Deposit date: | 2023-01-23 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
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8FWC
 | | Collar sheath structure of Agrobacterium phage Milano | | Descriptor: | Collar sheath protein, gp13 | | Authors: | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | | Deposit date: | 2023-01-20 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
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7OCJ
 | | Crystal structure of E.coli LexA in complex with nanobody NbSOS2(Nb14509) | | Descriptor: | 1,2-ETHANEDIOL, LexA repressor, NbSOS2 (14509) | | Authors: | Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L. | | Deposit date: | 2021-04-27 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
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8EXL
 | | Crystal structure of PI3K-alpha in complex with taselisib | | Descriptor: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | Deposit date: | 2022-10-25 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.989 Å) | | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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8EXO
 | | Crystal structure of PI3K-alpha in complex with compound 19 | | Descriptor: | 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | Deposit date: | 2022-10-25 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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8EXU
 | | Crystal structure of PI3K-alpha in complex with compound 30 | | Descriptor: | (2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | Deposit date: | 2022-10-25 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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6YE1
 | | Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A894 (compound 2n in publication) in the closed form (crystal form IV) | | Descriptor: | 5'-nucleotidase, ZINC ION, [(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid | | Authors: | Scaletti, E, Strater, N. | | Deposit date: | 2020-03-23 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
J.Med.Chem., 64, 2021
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8EXV
 | | Crystal structure of PI3K-alpha in complex with compound 32 | | Descriptor: | N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | Deposit date: | 2022-10-25 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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8F68
 | | E. coli cytochrome bo3 ubiquinol oxidase monomer | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ... | | Authors: | Guo, Y, Karimullina, E, Borek, D, Savchenko, A. | | Deposit date: | 2022-11-16 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Monomer and dimer structures of cytochrome bo 3 ubiquinol oxidase from Escherichia coli.
Protein Sci., 32, 2023
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8F7W
 | | Gi bound kappa-opioid receptor in complex with dynorphin | | Descriptor: | CHOLESTEROL, Dynorphin, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wang, Y, Zhuang, Y, DiBerto, J.F, Zhou, X.E, Schmitz, G.P, Yuan, Q, Jain, M.K, Liu, W, Melcher, K, Jiang, Y, Roth, B.L, Xu, H.E. | | Deposit date: | 2022-11-20 | | Release date: | 2022-12-14 | | Last modified: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Structures of the entire human opioid receptor family.
Cell, 186, 2023
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8F7S
 | | Gi bound delta-opioid receptor in complex with deltorphin | | Descriptor: | CHOLESTEROL, Delta-type opioid receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wang, Y, Zhuang, Y, DiBerto, J.F, Zhou, X.E, Schmitz, G.P, Yuan, Q, Jain, M.K, Liu, W, Melcher, K, Jiang, Y, Roth, B.L, Xu, H.E. | | Deposit date: | 2022-11-20 | | Release date: | 2022-12-14 | | Last modified: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structures of the entire human opioid receptor family.
Cell, 186, 2023
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8F7R
 | | Gi bound mu-opioid receptor in complex with endomorphin | | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Wang, Y, Zhuang, Y, DiBerto, J.F, Zhou, X.E, Schmitz, G.P, Yuan, Q, Jain, M.K, Liu, W, Melcher, K, Jiang, Y, Roth, B.L, Xu, H.E. | | Deposit date: | 2022-11-20 | | Release date: | 2022-12-14 | | Last modified: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Structures of the entire human opioid receptor family.
Cell, 186, 2023
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8F7X
 | | Gi bound nociceptin receptor in complex with nociceptin peptide | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Wang, Y, Zhuang, Y, DiBerto, J.F, Zhou, X.E, Schmitz, G.P, Yuan, Q, Jain, M.K, Liu, W, Melcher, K, Jiang, Y, Roth, B.L, Xu, H.E. | | Deposit date: | 2022-11-20 | | Release date: | 2022-12-14 | | Last modified: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Structures of the entire human opioid receptor family.
Cell, 186, 2023
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8F7Q
 | | Gi bound mu-opioid receptor in complex with beta-endorphin | | Descriptor: | Beta-endorphin, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wang, Y, Zhuang, Y, DiBerto, J.F, Zhou, X.E, Schmitz, G.P, Yuan, Q, Jain, M.K, Liu, W, Melcher, K, Jiang, Y, Roth, B.L, Xu, H.E. | | Deposit date: | 2022-11-20 | | Release date: | 2022-12-14 | | Last modified: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Structures of the entire human opioid receptor family.
Cell, 186, 2023
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6GGM
 | | HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P2-Phe. | | Descriptor: | Beta-2-microglobulin, MHC class I antigen, Mtb44*P2-Phe peptide variant (ARG-PHE-PRO-ALA-LYS-ALA-PRO-LEU-LEU), ... | | Authors: | Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K. | | Deposit date: | 2018-05-03 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.734 Å) | | Cite: | Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding.
Nat Commun, 9, 2018
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7B5G
 | | Crystal structure of E.coli LexA in complex with nanobody NbSOS3(Nb14527) | | Descriptor: | 1,2-ETHANEDIOL, LexA repressor, Nanobody Nb14527, ... | | Authors: | Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L. | | Deposit date: | 2020-12-03 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
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6Q9K
 | | Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M bound to NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. | | Deposit date: | 2018-12-18 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
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8DK6
 | | Structure of hepatitis C virus envelope N-terminal truncated glycoprotein 2 (E2) (residues 456-713) from J6 genotype | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy chain, 2A12 Fab light chain, ... | | Authors: | Kumar, A, Rohe, T, Elrod, E.J, Khan, A.G, Dearborn, A.D, Kissinger, R, Grakoui, A, Marcotrigiano, J. | | Deposit date: | 2022-07-03 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Regions of hepatitis C virus E2 required for membrane association.
Nat Commun, 14, 2023
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8PPL
 | | MERS-CoV Nsp1 bound to the human 43S pre-initiation complex | | Descriptor: | 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | Authors: | Schubert, K, Karousis, E.D, Ban, I, Lapointe, C.P, Leibundgut, M, Baeumlin, E, Kummerant, E, Scaiola, A, Schoenhut, T, Ziegelmueller, J, Puglisi, J.D, Muehlemann, O, Ban, N. | | Deposit date: | 2023-07-07 | | Release date: | 2023-10-18 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.65 Å) | | Cite: | Universal features of Nsp1-mediated translational shutdown by coronaviruses.
Mol.Cell, 83, 2023
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6GHN
 | | HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P9-Phe. | | Descriptor: | ARG-LEU-PRO-ALA-LYS-ALA-PRO-LEU-PHE, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K. | | Deposit date: | 2018-05-08 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.542 Å) | | Cite: | Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding.
Nat Commun, 9, 2018
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6YWK
 | | Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with HEPES | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, ... | | Authors: | Ni, X, Schroeder, M, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-29 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
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7QTV
 | | Beryllium fluoride form of the Na+,K+-ATPase (E2-BeFx) | | Descriptor: | 1-O-decanoyl-beta-D-tagatofuranosyl beta-D-allopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Fruergaard, M.U, Dach, I, Andersen, J.L, Ozol, M, Shahsavar, A, Quistgaard, E.M, Poulsen, H, Fedosova, N.U, Nissen, P. | | Deposit date: | 2022-01-16 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (4.05 Å) | | Cite: | The Na + ,K + -ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state.
J.Biol.Chem., 298, 2022
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8FWO
 | | Crystal structure of SARS-CoV-2 papain-like protease | | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Bezerra, E.H.S, Soprano, A.S, Tonoli, C.C.C, Prado, P.F.V, da Silva, J.C, Franchini, K.G, Trivella, D.B.B, Benedetti, C.E. | | Deposit date: | 2023-01-23 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of SARS-CoV-2 papain-like protease
To Be Published
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8CYY
 | | CryoEM structure of amplified alpha-synuclein fibril class B mixed type I/II with extended core from DLB case V | | Descriptor: | Alpha-synuclein | | Authors: | Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A. | | Deposit date: | 2022-05-24 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid
To Be Published
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7QUJ
 | | Structure of NsNEPS2, a 7S-cis-trans nepetalactone synthase | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NsNEPS2 | | Authors: | Hernandez Lozada, N.J, Hong, B, Wood, J.C, Caputi, L, Basquin, J, Chuang, L, Kunert, M, Rodriguez Lopez, C.R, Langley, C, Zhao, D, Buell, C.R, Lichman, B.R, O'Connor, S.E. | | Deposit date: | 2022-01-18 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Biocatalytic routes to stereo-divergent iridoids.
Nat Commun, 13, 2022
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