8CNN
| BeF3 Phospho-HRas GSA complex | Descriptor: | ACETATE ION, BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Baumann, P, Jin, Y. | Deposit date: | 2023-02-23 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes. Commun Chem, 7, 2024
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8CJ7
| HDAC6 selective degraded (difluoromethyl)-1,3,4-oxadiazole substrate inhibitor | Descriptor: | 6-[(5-pyridin-2-yl-1,2$l^{4},3,4-tetrazacyclopenta-1,3-dien-2-yl)methyl]pyridine-3-carbohydrazide, Histone deacetylase 6, IODIDE ION, ... | Authors: | Sandmark, J, Ek, M, Ripa, L. | Deposit date: | 2023-02-12 | Release date: | 2023-10-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Selective and Bioavailable HDAC6 2-(Difluoromethyl)-1,3,4-oxadiazole Substrate Inhibitors and Modeling of Their Bioactivation Mechanism. J.Med.Chem., 66, 2023
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8C80
| Cryo-EM structure of the yeast SPT-Orm1-Monomer complex | Descriptor: | 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ERGOSTEROL, N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide, ... | Authors: | Schaefer, J, Koerner, C, Parey, K, Januliene, D, Moeller, A, Froehlich, F. | Deposit date: | 2023-01-18 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of the ceramide-bound SPOTS complex. Nat Commun, 14, 2023
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8C81
| Cryo-EM structure of the yeast SPT-Orm1-Sac1 complex | Descriptor: | 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ERGOSTEROL, N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide, ... | Authors: | Schaefer, J, Koerner, C, Parey, K, Januliene, D, Moeller, A, Froehlich, F. | Deposit date: | 2023-01-18 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of the ceramide-bound SPOTS complex. Nat Commun, 14, 2023
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8C82
| Cryo-EM structure of the yeast SPT-Orm1-Dimer complex | Descriptor: | 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Schaefer, J, Koerner, C, Parey, K, Januliene, D, Moeller, A, Froehlich, F. | Deposit date: | 2023-01-18 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of the ceramide-bound SPOTS complex. Nat Commun, 14, 2023
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8CC4
| LasB bound to phosphonic acid based inhibitor | Descriptor: | CALCIUM ION, Elastase, ZINC ION, ... | Authors: | Mueller, R, Sikandar, A. | Deposit date: | 2023-01-26 | Release date: | 2023-12-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibitors of the Elastase LasB for the Treatment of Pseudomonas aeruginosa Lung Infections. Acs Cent.Sci., 9, 2023
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1GYG
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6BWU
| Crystal structure of carboxyhemoglobin in complex with beta Cys93 modifying agent, TD3 | Descriptor: | 1H-1,2,3-triazole-5-thiol, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Musayev, F.N, Safo, R.M, Safo, M.K. | Deposit date: | 2017-12-15 | Release date: | 2018-01-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Triazole Disulfide Compound Increases the Affinity of Hemoglobin for Oxygen and Reduces the Sickling of Human Sickle Cells. Mol. Pharm., 15, 2018
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8C40
| 14-3-3sigma bound to PKA-responsive ERa phosphopeptide | Descriptor: | 14-3-3 protein sigma, Estrogen Receptor alpha phosphopeptide, MAGNESIUM ION | Authors: | Somsen, B.A, Ottmann, C. | Deposit date: | 2022-12-30 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular basis and dual ligand regulation of tetrameric estrogen receptor alpha /14-3-3 zeta protein complex. J.Biol.Chem., 299, 2023
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8C43
| Ternary structure of 14-3-3sigma, strep-tagged PKA-responsive ERa phosphopeptide, and Fusicoccin-A. | Descriptor: | 14-3-3 protein sigma, De-acetylated Fusicoccin, Estrogen Receptor alpha phosphopeptide, ... | Authors: | Somsen, B.A, Ottmann, C. | Deposit date: | 2022-12-30 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular basis and dual ligand regulation of tetrameric estrogen receptor alpha /14-3-3 zeta protein complex. J.Biol.Chem., 299, 2023
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2PLV
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8C42
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8C3Z
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7NGQ
| Human mitochondrial Lon protease homolog, D2-state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | Authors: | Mohammed, I, Abrahams, J.P, Schmitz, K.A, Maier, T, Schenck, N. | Deposit date: | 2021-02-09 | Release date: | 2021-04-28 | Last modified: | 2022-11-09 | Method: | ELECTRON MICROSCOPY (12 Å) | Cite: | Catalytic cycling of human mitochondrial Lon protease. Structure, 30, 2022
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7NGF
| P2c-state of wild type human mitochondrial LONP1 protease with bound endogenous substrate protein and in presence of ATP/ADP mix | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Lon protease homolog, ... | Authors: | Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T, Abrahams, J.P. | Deposit date: | 2021-02-09 | Release date: | 2021-04-28 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | Catalytic cycling of human mitochondrial Lon protease. Structure, 30, 2022
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7NGP
| D1-state of wild type human mitochondrial LONP1 protease | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | Authors: | Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T, Abrahams, J.P. | Deposit date: | 2021-02-09 | Release date: | 2021-04-28 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (15 Å) | Cite: | Catalytic cycling of human mitochondrial Lon protease. Structure, 30, 2022
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5TED
| Effector binding domain of QuiR in complex with shikimate | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, His Tag peptide, Lmo0488 protein | Authors: | Prezioso, S.M, Christendat, D. | Deposit date: | 2016-09-21 | Release date: | 2017-10-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.889 Å) | Cite: | Shikimate Induced Transcriptional Activation of Protocatechuate Biosynthesis Genes by QuiR, a LysR-Type Transcriptional Regulator, in Listeria monocytogenes. J. Mol. Biol., 430, 2018
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8C63
| Crystal structure of arsenoplatin-1/B-DNA adduct obtained upon 4 h of soaking | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, PLATINUM (II) ION, ... | Authors: | Troisi, R, Tito, G, Ferraro, G, Sica, F, Merlino, A. | Deposit date: | 2023-01-11 | Release date: | 2024-01-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | On the mechanism of action of arsenoplatins: arsenoplatin-1 binding to a B-DNA dodecamer. Dalton Trans, 53, 2024
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8C64
| Crystal structure of arsenoplatin-1/B-DNA adduct obtained upon 48 h of soaking | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), PLATINUM (II) ION, arsenoplatin-1 | Authors: | Troisi, R, Tito, G, Ferraro, G, Sica, F, Merlino, A. | Deposit date: | 2023-01-11 | Release date: | 2024-01-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | On the mechanism of action of arsenoplatins: arsenoplatin-1 binding to a B-DNA dodecamer. Dalton Trans, 53, 2024
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6K6V
| Crystal structure of barley exohydrolaseI W434A mutant in complex with methyl 6-thio-beta-gentiobioside | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | Deposit date: | 2019-06-05 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
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7S15
| GLP-1 receptor bound with Pfizer small molecule agonist | Descriptor: | 2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid, Glucagon-like peptide 1 receptor | Authors: | Liu, Y, Dias, J.M, Han, S. | Deposit date: | 2021-09-01 | Release date: | 2022-06-08 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | A Small-Molecule Oral Agonist of the Human Glucagon-like Peptide-1 Receptor. J.Med.Chem., 65, 2022
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8F11
| T4 lysozyme with a 2,6-diazaadamantane nitroxide (DZD) spin label | Descriptor: | 1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Wilson, M.A, Madzelan, P, Rajca, A, Stein, R, Yang, Z. | Deposit date: | 2022-11-04 | Release date: | 2023-02-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Cucurbit[7]uril Enhances Distance Measurements of Spin-Labeled Proteins. J.Am.Chem.Soc., 145, 2023
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7SFM
| Mycobacterium tuberculosis Hip1 crystal structure | Descriptor: | ACETATE ION, GLYCEROL, Hip1 | Authors: | Ostrov, D.A, Li, D. | Deposit date: | 2021-10-04 | Release date: | 2022-08-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.149 Å) | Cite: | 2.1 angstrom crystal structure of the Mycobacterium tuberculosis serine hydrolase, Hip1, in its anhydro-form (Anhydrohip1). Biochem.Biophys.Res.Commun., 630, 2022
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8EE7
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8EEA
| Structure of E.coli Septu (PtuAB) complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, PtuA, PtuB | Authors: | Shen, Z.F, Fu, T.M. | Deposit date: | 2022-09-06 | Release date: | 2023-12-27 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | PtuA and PtuB assemble into an inflammasome-like oligomer for anti-phage defense. Nat.Struct.Mol.Biol., 31, 2024
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