4NMB
| Crystal structure of proline utilization A (PutA) from Geobacter sulfurreducens PCA in complex with L-lactate | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Singh, H, Almo, S.C, Tanner, J.J. | Deposit date: | 2013-11-14 | Release date: | 2014-02-19 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Structures of the PutA peripheral membrane flavoenzyme reveal a dynamic substrate-channeling tunnel and the quinone-binding site. Proc.Natl.Acad.Sci.USA, 111, 2014
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6NAD
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6MVN
| LasR LBD L130F:3OC10HSL complex | Descriptor: | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide, Transcriptional regulator LasR | Authors: | Bassler, B.L, Paczkowski, J.E. | Deposit date: | 2018-10-26 | Release date: | 2019-01-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural determinants driving homoserine lactone ligand selection in thePseudomonas aeruginosaLasR quorum-sensing receptor. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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4N70
| Pim1 Complexed with a pyridylcarboxamide | Descriptor: | N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1 | Authors: | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | Deposit date: | 2013-10-14 | Release date: | 2013-11-06 | Last modified: | 2014-07-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors. ACS Med Chem Lett, 4, 2013
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8Y0U
| dormant ribosome with STM1 | Descriptor: | 18S rRNA, 25S rRNA, 40S ribosomal protein S1-A, ... | Authors: | Du, M, Zeng, F. | Deposit date: | 2024-01-23 | Release date: | 2024-02-07 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Implication of Stm1 in the protection of eIF5A, eEF2 and tRNA through dormant ribosomes. Front Mol Biosci, 11, 2024
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4N6Y
| Pim1 Complexed with a phenylcarboxamide | Descriptor: | 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1 | Authors: | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | Deposit date: | 2013-10-14 | Release date: | 2013-11-06 | Last modified: | 2014-07-02 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors. ACS Med Chem Lett, 4, 2013
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6QLB
| Calpain small subunit 1, RNA-binding protein Hfq | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, CALCIUM ION, ... | Authors: | Rizkallah, P.J, Cresser-Brown, J.O. | Deposit date: | 2019-01-31 | Release date: | 2020-02-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Calpain small subunit 1, RNA-binding protein Hfq Acta Crystallogr.,Sect.F, 2020
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5OWD
| Vitamin D receptor complex | Descriptor: | (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N, Li, W. | Deposit date: | 2017-08-31 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities. Sci Rep, 8, 2018
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6QDZ
| P38 alpha complex with AR117045 | Descriptor: | 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{S})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | Authors: | Brown, D.G, Hurley, C, Irving, S.L. | Deposit date: | 2019-01-03 | Release date: | 2020-01-29 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | P38 alpha complex with AR117045 To Be Published
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6QE1
| P38 alpha complex with AR117046 | Descriptor: | 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{R})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | Authors: | Brown, D.G, Hurley, C, Irving, S.L. | Deposit date: | 2019-01-03 | Release date: | 2020-01-29 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | P38 alpha complex with AR117045 and AR117046 To Be Published
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7MFD
| Autoinhibited BRAF:(14-3-3)2:MEK complex with the BRAF RBD resolved | Descriptor: | 14-3-3 protein zeta/delta, Dual specificity mitogen-activated protein kinase kinase 1, N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide, ... | Authors: | Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K. | Deposit date: | 2021-04-09 | Release date: | 2022-01-26 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding. Nat Commun, 13, 2022
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6NDL
| Crystal structure of Staphylococcus aureus biotin protein ligase in complex with a sulfonamide inhibitor | Descriptor: | 1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{S})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea, Biotin Protein Ligase, GLYCEROL | Authors: | Marshall, A.C, Polyak, S.W, Bruning, J.B, Lee, K. | Deposit date: | 2018-12-13 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Sulfonamide-Based Inhibitors of Biotin Protein Ligase as New Antibiotic Leads. Acs Chem.Biol., 14, 2019
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6NBW
| Ternary Complex of Beta/Gamma-Actin with Profilin and AnCoA-NAA80 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Rebowski, G, Boczkowska, M, Dominguez, R. | Deposit date: | 2018-12-10 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism of actin N-terminal acetylation. Sci Adv, 6, 2020
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4N21
| Crystal structure of the GP2 Core Domain from the California Academy of Science Virus | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GP2 Ectodomain | Authors: | Malashkevich, V.N, Koellhoffer, J.F, Dai, Z, Toro, R, Lai, J.R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-10-04 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Characterization of the Glycoprotein GP2 Core Domain from the CAS Virus, a Novel Arenavirus-Like Species. J.Mol.Biol., 426, 2014
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8R10
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8R1N
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8R1P
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8R18
| Pim1 in complex with (E)-4-(4-hydroxystyryl)benzoic acid and Pimtide | Descriptor: | (E)-4-(4-hydroxystyryl)benzoic acid, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | Deposit date: | 2023-11-01 | Release date: | 2024-03-20 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors. Arch Pharm, 357, 2024
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8R1T
| Pim1 in complex with 4-(4-aminophenethyl)benzoic acid and Pimtide | Descriptor: | 4-(4-aminophenethyl)benzoic acid, GLYCEROL, Pimtide, ... | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | Deposit date: | 2023-11-02 | Release date: | 2024-03-20 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors. Arch Pharm, 357, 2024
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4NM9
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6NWS
| RORgamma Ligand Binding Domain | Descriptor: | 2-chloro-6-fluoro-N-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indol-6-yl)benzamide, Nuclear receptor ROR-gamma | Authors: | Strutzenberg, T.S, Park, H.J, Griffin, P.R. | Deposit date: | 2019-02-07 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists. Elife, 8, 2019
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5YVH
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4NMA
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8TAN
| CryoEM structure of MFRV-VILP bound to IGF1Rzip | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin-like growth factor, ... | Authors: | Kirk, N.S. | Deposit date: | 2023-06-27 | Release date: | 2024-01-17 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | A viral insulin-like peptide inhibits IGF-1 receptor phosphorylation and regulates IGF1R gene expression. Mol Metab, 80, 2024
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4NJ0
| GCN4-p1 single Val9 to Ile mutant | Descriptor: | General control protein GCN4 | Authors: | Oshaben, K.M, Horne, W.S. | Deposit date: | 2013-11-08 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tuning assembly size in Peptide-based supramolecular polymers by modulation of subunit association affinity. Biomacromolecules, 15, 2014
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