7Q7N
 
 | | Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 120 MPa helium gas pressure in a sapphire capillary | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | | Authors: | Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A. | | Deposit date: | 2021-11-09 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Fixed-target high-pressure macromolecular crystallography
To Be Published
|
|
7SBG
 | |
6T6Z
 | |
6T6Y
 | |
7ZUW
 | | Structure of RQT (C1) bound to the stalled ribosome in a disome unit from S. cerevisiae | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | Authors: | Best, K.M, Ikeuchi, K, Kater, L, Best, D.M, Musial, J, Matsuo, Y, Berninghausen, O, Becker, T, Inada, T, Beckmann, R. | | Deposit date: | 2022-05-13 | | Release date: | 2023-02-22 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural basis for clearing of ribosome collisions by the RQT complex.
Nat Commun, 14, 2023
|
|
7ZJ4
 | | Ligand bound state of a brocolli-pepper aptamer FRET tile | | Descriptor: | 4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1H-imidazol-5-ol, 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile, POTASSIUM ION, ... | | Authors: | McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S. | | Deposit date: | 2022-04-08 | | Release date: | 2023-04-19 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.43 Å) | | Cite: | Structure determination of Pepper-Broccoli FRET pair by RNA origami scaffolding
To Be Published
|
|
7ZJ5
 | | Unbound state of a brocolli-pepper aptamer FRET tile. | | Descriptor: | POTASSIUM ION, brocolli-pepper aptamer | | Authors: | McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S. | | Deposit date: | 2022-04-08 | | Release date: | 2023-04-19 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.55 Å) | | Cite: | Structure determination of Pepper-Broccoli FRET pair by RNA origami scaffolding
To Be Published
|
|
8B0F
 | | CryoEM structure of C5b8-CD59 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Bubeck, D, Couves, E.C, Gardner, S. | | Deposit date: | 2022-09-07 | | Release date: | 2023-02-22 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for membrane attack complex inhibition by CD59.
Nat Commun, 14, 2023
|
|
6T70
 | |
7ZS5
 | | Structure of 60S ribosomal subunit from S. cerevisiae with eIF6 and tRNA | | Descriptor: | 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | | Authors: | Best, K.M, Ikeuchi, K, Kater, L, Best, D.M, Musial, J, Matsuo, Y, Berninghausen, O, Becker, T, Inada, T, Beckmann, R. | | Deposit date: | 2022-05-06 | | Release date: | 2023-02-22 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for clearing of ribosome collisions by the RQT complex.
Nat Commun, 14, 2023
|
|
7ZRS
 | | Structure of the RQT-bound 80S ribosome from S. cerevisiae (C2) - composite map | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | Authors: | Best, K.M, Ikeuchi, K, Kater, L, Best, D.M, Musial, J, Matsuo, Y, Berninghausen, O, Becker, T, Inada, T, Beckmann, R. | | Deposit date: | 2022-05-05 | | Release date: | 2023-02-22 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Structural basis for clearing of ribosome collisions by the RQT complex.
Nat Commun, 14, 2023
|
|
7ZUX
 | | Collided ribosome in a disome unit from S. cerevisiae | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | Authors: | Best, K.M, Ikeuchi, K, Kater, L, Best, D.M, Musial, J, Matsuo, Y, Berninghausen, O, Becker, T, Inada, T, Beckmann, R. | | Deposit date: | 2022-05-13 | | Release date: | 2023-02-22 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural basis for clearing of ribosome collisions by the RQT complex.
Nat Commun, 14, 2023
|
|
7TDU
 | | Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 | | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2022-01-03 | | Release date: | 2022-03-02 | | Last modified: | 2024-10-23 | | Method: | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
|
|
7TEH
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2 | | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2022-01-05 | | Release date: | 2022-03-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
|
|
7TUR
 | | Joint X-ray/neutron structure of aspastate aminotransferase (AAT) in complex with pyridoxamine 5'-phosphate (PMP) | | Descriptor: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, ... | | Authors: | Drago, V.N, Kovalevsky, A.Y, Dajnowicz, S, Mueser, T.C. | | Deposit date: | 2022-02-03 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-25 | | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | Cite: | An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction.
Chem Sci, 13, 2022
|
|
8ERA
 | | RMC-5552 in complex with mTORC1 and FKBP12 | | Descriptor: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | | Authors: | Tomlinson, A.C.A, Yano, J.K. | | Deposit date: | 2022-10-11 | | Release date: | 2022-12-28 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
|
|
7UPH
 | | Structure of a ribosome with tethered subunits | | Descriptor: | 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | | Authors: | Kim, D.S, Watkins, A, Bidstrup, E, Lee, J, Topkar, V.V, Kofman, C, Schwarz, K.J, Liu, Y, Pintilie, G, Roney, E, Das, R, Jewett, M.C. | | Deposit date: | 2022-04-15 | | Release date: | 2022-08-17 | | Last modified: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (4.18 Å) | | Cite: | Three-dimensional structure-guided evolution of a ribosome with tethered subunits.
Nat.Chem.Biol., 18, 2022
|
|
7PA0
 | | NaK C-DI F92A mutant with Rb+ and K+ | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | | Authors: | Minniberger, S, Plested, A.J.R. | | Deposit date: | 2021-07-28 | | Release date: | 2022-08-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
|
|
7Q7H
 | | Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 51 MPa helium gas pressure in a sapphire capillary | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | | Authors: | Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A. | | Deposit date: | 2021-11-09 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Fixed-target high-pressure macromolecular crystallography
To Be Published
|
|
7Q7M
 | | Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 100 MPa helium gas pressure in a sapphire capillary | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | | Authors: | Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A. | | Deposit date: | 2021-11-09 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Fixed-target high-pressure macromolecular crystallography
To Be Published
|
|
7QKB
 | | Crystal structure of human Cathepsin L in complex with covalently bound GC376 | | Descriptor: | CHLORIDE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
|
|
7QKA
 | | Crystal structure of SARS-CoV-2 Main Protease in complex with covalently bound GC376 | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
|
|
6TX7
 | |
6TX5
 | |
7R3U
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | | Descriptor: | 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Snee, M, Katariya, M, Leys, D, Levy, C. | | Deposit date: | 2022-02-07 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
|
|
