6F3S
 
 | | The crystal structure of Glycogen Phosphorylase in complex with 10d | | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-phenylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Stamati, E.C.V, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2017-11-28 | | Release date: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors.
Eur J Med Chem, 147, 2018
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6F5F
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6MOA
 | | C-terminal bromodomain of human BRD2 in complex with 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole inhibitor | | Descriptor: | 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole, Bromodomain-containing protein 2, GLYCEROL | | Authors: | Lansdon, E.B, Newby, Z.E.R. | | Deposit date: | 2018-10-04 | | Release date: | 2019-01-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.271 Å) | | Cite: | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.
Bioorg. Med. Chem., 27, 2019
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7TA2
 | | Crystal structure of the human sperm-expressed surface protein SPACA6 | | Descriptor: | BROMIDE ION, Sperm acrosome membrane-associated protein 6 | | Authors: | Vance, T.D.R, Yip, P, Jimenez, E, Uson, I, Lee, J.E. | | Deposit date: | 2021-12-20 | | Release date: | 2022-08-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | SPACA6 ectodomain structure reveals a conserved superfamily of gamete fusion-associated proteins.
Commun Biol, 5, 2022
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6EXN
 | | Post-catalytic P complex spliceosome with 3' splice site docked | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Intron lariat: UBC4 RNA, ... | | Authors: | Wilkinson, M.E, Fica, S.M, Galej, W.P, Norman, C.M, Newman, A.J, Nagai, K. | | Deposit date: | 2017-11-08 | | Release date: | 2018-01-17 | | Last modified: | 2020-10-07 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Postcatalytic spliceosome structure reveals mechanism of 3'-splice site selection.
Science, 358, 2017
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6V3D
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6V6K
 | | EGFR(T790M/V948R) in complex with LN2057 | | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide | | Authors: | Heppner, D.E, Eck, M.J. | | Deposit date: | 2019-12-05 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
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7NWT
 | | Initiated 70S ribosome in complex with 2A protein from encephalomyocarditis virus (EMCV) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Hill, C.H, Napthine, S, Pekarek, L, Kibe, A, Firth, A.E, Graham, S.C, Caliskan, N, Brierley, I. | | Deposit date: | 2021-03-17 | | Release date: | 2021-12-15 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Structural and molecular basis for Cardiovirus 2A protein as a viral gene expression switch
Nat Commun, 12, 2021
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6P1L
 | | Crystal structure of EGFR in complex with EAI045 | | Descriptor: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | | Authors: | Heppner, D.E, Eck, M.J. | | Deposit date: | 2019-05-20 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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7B1X
 | | Crystal structure of cold-active esterase PMGL3 from permafrost metagenomic library | | Descriptor: | esterase PMGL3 | | Authors: | Boyko, K.M, Nikolaeva, A.Y, Petrovskaya, L.E, Kryukova, M.V, Kryukova, E.A, Korzhenevsky, D.A, Lomakina, G.Y, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O. | | Deposit date: | 2020-11-25 | | Release date: | 2021-11-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Biochemical Characterization of a Cold-Active PMGL3 Esterase with Unusual Oligomeric Structure.
Biomolecules, 11, 2021
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6PK5
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8FCN
 | | Cryo-EM structure of p97:UBXD1 VIM-only state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6 | | Authors: | Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R. | | Deposit date: | 2022-12-01 | | Release date: | 2023-06-21 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions.
Nat.Struct.Mol.Biol., 30, 2023
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4Y6Z
 | | Yeast 20S proteasome in complex with Ac-PAL-ep | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-PAL-ep, CHLORIDE ION, ... | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2015-02-13 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
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4YA2
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7ZR9
 | | OMI-2 FAB IN COMPLEX WITH SARS-COV-2 BETA SPIKE GLYCOPROTEIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Omi-2 Fab heavy chain, ... | | Authors: | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | | Deposit date: | 2022-05-03 | | Release date: | 2022-06-01 | | Last modified: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
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7ZR7
 | | OMI-42 FAB IN COMPLEX WITH SARS-COV-2 BETA SPIKE GLYCOPROTEIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Omi-42 heavy chain, ... | | Authors: | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | | Deposit date: | 2022-05-03 | | Release date: | 2022-06-01 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
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7Q69
 | | Crystal structure of Chaetomium thermophilum C30S Ahp1 in the pre-reaction state | | Descriptor: | GLYCEROL, SULFATE ION, Thioredoxin domain-containing protein | | Authors: | Ravichandran, K.E, Wilk, P, Grudnik, P, Glatt, S. | | Deposit date: | 2021-11-05 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | E2/E3-independent ubiquitin-like protein conjugation by Urm1 is directly coupled to cysteine persulfidation.
Embo J., 41, 2022
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7Q6A
 | | Crystal structure of Chaetomium thermophilum C30S Ahp1 in post-reaction state | | Descriptor: | GLYCEROL, SULFATE ION, Thioredoxin domain-containing protein | | Authors: | Ravichandran, K.E, Wilk, P, Grudnik, P, Glatt, S. | | Deposit date: | 2021-11-05 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | E2/E3-independent ubiquitin-like protein conjugation by Urm1 is directly coupled to cysteine persulfidation.
Embo J., 41, 2022
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6YE9
 | | Small-molecule inhibitor of 14-3-3 protein-protein interactions | | Descriptor: | 14-3-3 protein sigma, MAGNESIUM ION, [2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid | | Authors: | Ottmann, C, Visser, E.J. | | Deposit date: | 2020-03-24 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based conversion of a promiscuous inhibitor to a selective stabilizer of protein-protein interactions
To Be Published
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7Q68
 | | Crystal structure of Chaetomium thermophilum wild-type Ahp1 | | Descriptor: | GLYCEROL, SULFATE ION, Thioredoxin domain-containing protein | | Authors: | Ravichandran, K.E, Wilk, P, Grudnik, P, Glatt, S. | | Deposit date: | 2021-11-05 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | E2/E3-independent ubiquitin-like protein conjugation by Urm1 is directly coupled to cysteine persulfidation.
Embo J., 41, 2022
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5M8D
 | | Tubulin MTD265-R1 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | | Deposit date: | 2016-10-28 | | Release date: | 2017-03-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
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6MW4
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5MAG
 | | Crystal structure of MELK in complex with an inhibitor | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Maternal embryonic leucine zipper kinase, ... | | Authors: | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | | Deposit date: | 2016-11-03 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The target landscape of clinical kinase drugs.
Science, 358, 2017
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7QYR
 | | Crystal structure of RimK from Pseudomonas aeruginosa PAO1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Probable alpha-L-glutamate ligase, poly-glutamate | | Authors: | Thompson, C.M.A, Little, R.H, Stevenson, C.E.M, Lawson, D.M, Malone, J.G. | | Deposit date: | 2022-01-29 | | Release date: | 2022-10-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural insights into the mechanism of adaptive ribosomal modification by Pseudomonas RimK.
Proteins, 91, 2023
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7QYS
 | | Crystal structure of RimK from Pseudomonas syringae DC3000 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Probable alpha-L-glutamate ligase | | Authors: | Thompson, C.M.A, Little, R.H, Stevenson, C.E.M, Lawson, D.M, Malone, J.G. | | Deposit date: | 2022-01-29 | | Release date: | 2022-10-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural insights into the mechanism of adaptive ribosomal modification by Pseudomonas RimK.
Proteins, 91, 2023
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