5HZJ
| Crystal structure of photoinhibitable Intersectin1 containing wildtype LOV2 domain | Descriptor: | FLAVIN MONONUCLEOTIDE, Intersectin-1,NPH1-1,Intersectin-1 | Authors: | Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I. | Deposit date: | 2016-02-02 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Engineering extrinsic disorder to control protein activity in living cells. Science, 354, 2016
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5HQE
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6LDM
| Structural basis of G-quadruplex DNA recognition by the yeast telomeric protein Rap1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA-binding protein RAP1, G-guadruplex DNA, ... | Authors: | Traczyk, A, Gill, D.J, Chong, W.L, Rhodes, D. | Deposit date: | 2019-11-22 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of G-quadruplex DNA recognition by the yeast telomeric protein Rap1. Nucleic Acids Res., 48, 2020
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5HUD
| Non-covalent complex of and DAHP synthase and chorismate mutase from Corynebacterium glutamicum with bound transition state analog | Descriptor: | 3-Deoxy-D-arabino-heptulosonate 7-phosphate (DAHP) synthase, 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, Chorismate mutase, ... | Authors: | Burschowsky, D, Heim, J.B, Thorbjoernsrud, H.V, Krengel, U. | Deposit date: | 2016-01-27 | Release date: | 2017-08-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Inter-Enzyme Allosteric Regulation of Chorismate Mutase in Corynebacterium glutamicum: Structural Basis of Feedback Activation by Trp. Biochemistry, 57, 2018
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5HTB
| Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3353 | Descriptor: | (3R)-4-amino-3-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name), (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | Authors: | Chaikuad, A, Heroven, C, Lavogina, D, Kestav, K, Uri, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-01-26 | Release date: | 2016-05-11 | Last modified: | 2023-04-26 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors. Acta Crystallogr.,Sect.F, 72, 2016
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5HUB
| High-resolution structure of chorismate mutase from Corynebacterium glutamicum | Descriptor: | Chorismate mutase, FORMIC ACID | Authors: | Burschowsky, D, Heim, J.B, Thorbjoernsrud, H.V, Krengel, U. | Deposit date: | 2016-01-27 | Release date: | 2017-08-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Inter-Enzyme Allosteric Regulation of Chorismate Mutase in Corynebacterium glutamicum: Structural Basis of Feedback Activation by Trp. Biochemistry, 57, 2018
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5HUE
| DAHP synthase from Corynebacterium glutamicum in complex with tryptophan | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-Deoxy-D-arabino-heptulosonate 7-phosphate (DAHP) synthase, ... | Authors: | Burschowsky, D, Heim, J.B, Thorbjoernsrud, H.V, Krengel, U. | Deposit date: | 2016-01-27 | Release date: | 2017-08-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Inter-Enzyme Allosteric Regulation of Chorismate Mutase in Corynebacterium glutamicum: Structural Basis of Feedback Activation by Trp. Biochemistry, 57, 2018
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6LHI
| Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with C466 (compound 42) and NADPH | Descriptor: | 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Vitsupakorn, D. | Deposit date: | 2019-12-09 | Release date: | 2020-12-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities. Eur.J.Med.Chem., 195, 2020
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7S16
| Crystal structure of alpha-COP-WD40 domain R57A mutant | Descriptor: | Coatomer subunit alpha, SODIUM ION | Authors: | Dey, D, Singh, S, Khan, S, Martin, M, Schnicker, N, Gakhar, L, Pierce, B, Hasan, S.S. | Deposit date: | 2021-09-01 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | An extended motif in the SARS-CoV-2 spike modulates binding and release of host coatomer in retrograde trafficking Commun Biol, 5, 2022
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5HWU
| Crystal Structure of DR2231_E46A mutant in complex with dUMPNPP and Manganese | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DR2231, GLYCEROL, ... | Authors: | Mota, C.S, Goncalves, A.M.D, de Sanctis, D. | Deposit date: | 2016-01-29 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Deinococcus radiodurans DR2231 is a two-metal-ion mechanism hydrolase with exclusive activity on dUTP. FEBS J., 283, 2016
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7S22
| Crystal structure of alpha-COP-WD40 domain | Descriptor: | Coatomer subunit alpha | Authors: | Dey, D, Singh, S, Khan, S, Martin, M, Schnicker, N, Gakhar, L, Pierce, B, Hasan, S.S. | Deposit date: | 2021-09-02 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | An extended motif in the SARS-CoV-2 spike modulates binding and release of host coatomer in retrograde trafficking Commun Biol, 5, 2022
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7S23
| Crystal structure of alpha-COP-WD40 domain, Y139A mutant | Descriptor: | Coatomer subunit alpha | Authors: | Dey, D, Singh, S, Khan, S, Martin, M, Schnicker, N, Gakhar, L, Pierce, B, Hasan, S.S. | Deposit date: | 2021-09-03 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | An extended motif in the SARS-CoV-2 spike modulates binding and release of host coatomer in retrograde trafficking Commun Biol, 5, 2022
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5HY8
| Glycation restrains allosteric transition in hemoglobin: The molecular basis of oxidative stress under hyperglycemic conditions in diabetes | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | Authors: | Saraswathi, N.T, Pannu, N.S, Syakhovich, V.E, Saurabh, A, Bokut, S.B, Moras, D, Ruff, M. | Deposit date: | 2016-02-01 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Glycation restrains allosteric transition in hemoglobin: The molecular basis of oxidative stress under hyperglycemic conditions in diabetes To Be Published
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5HYK
| Crystal structure of the complex PPARalpha/AL26-29 | Descriptor: | 2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid, Peroxisome proliferator-activated receptor alpha | Authors: | Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A. | Deposit date: | 2016-02-01 | Release date: | 2016-11-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural basis for PPAR partial or full activation revealed by a novel ligand binding mode. Sci Rep, 6, 2016
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7SII
| Human STING bound to both cGAMP and 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide (Compound 53) | Descriptor: | 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide, Stimulator of interferon genes protein, cGAMP | Authors: | Lu, D, Shang, G, Jie, L, Lu, Y, Bai, X.C, Zhang, X. | Deposit date: | 2021-10-14 | Release date: | 2022-02-02 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Activation of STING by targeting a pocket in the transmembrane domain. Nature, 604, 2022
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5HZK
| Crystal structure of photoinhibitable Intersectin1 containing wildtype LOV2 domain in complex with Cdc42 | Descriptor: | Cell division control protein 42 homolog, FLAVIN MONONUCLEOTIDE, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I. | Deposit date: | 2016-02-02 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Engineering extrinsic disorder to control protein activity in living cells. Science, 354, 2016
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6L9Z
| 338 bp di-nucleosome assembled with linker histone H1.X | Descriptor: | CALCIUM ION, CHLORIDE ION, DNA (338-MER), ... | Authors: | Adhireksan, Z, Sharma, D, Lee, P.L, Davey, C.A. | Deposit date: | 2019-11-11 | Release date: | 2021-02-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Engineering nucleosomes for generating diverse chromatin assemblies. Nucleic Acids Res., 49, 2021
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5H7O
| Crystal structure of DJ-101 in complex with tubulin protein | Descriptor: | 2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Arnst, K, Wang, Y, Hwang, D.-J, Xue, Y, Costello, T, Hamilton, D, Chen, Q, Yang, J, Park, F, Dalton, J.T, Miller, D.D, Li, W. | Deposit date: | 2016-11-20 | Release date: | 2017-12-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Potent, Metabolically Stable Tubulin Inhibitor Targets the Colchicine Binding Site and Overcomes Taxane Resistance. Cancer Res., 78, 2018
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6LAB
| 169 bp nucleosome, harboring cohesive DNA termini, assembled with linker histone H1.0 | Descriptor: | CALCIUM ION, CHLORIDE ION, DNA (169-MER), ... | Authors: | Adhireksan, Z, Sharma, D, Bao, Q, Lee, P.L, Padavattan, S, Davey, C.A. | Deposit date: | 2019-11-12 | Release date: | 2021-02-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Engineering nucleosomes for generating diverse chromatin assemblies. Nucleic Acids Res., 49, 2021
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5HVC
| Solution structure of the apo state of the acyl carrier protein from the MLSA2 subunit of the mycolactone polyketide synthase | Descriptor: | Type I modular polyketide synthase | Authors: | Vance, S, Tkachenko, O, Thomas, B, Bassuni, M, Hong, H, Nietlispach, D, Broadhurst, R.W. | Deposit date: | 2016-01-28 | Release date: | 2016-03-09 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Sticky swinging arm dynamics: studies of an acyl carrier protein domain from the mycolactone polyketide synthase. Biochem.J., 473, 2016
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6LA2
| 343 bp di-nucleosome harboring cohesive DNA termini assembled with linker histone H1.0 | Descriptor: | DNA (343-MER), Histone H1.0, Histone H2A type 1-B/E, ... | Authors: | Adhireksan, Z, Sharma, D, Lee, P.L, Davey, C.A. | Deposit date: | 2019-11-11 | Release date: | 2021-02-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.89 Å) | Cite: | Engineering nucleosomes for generating diverse chromatin assemblies. Nucleic Acids Res., 49, 2021
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5I12
| Crystal structure of the catalytic domain of MMP-9 in complex with a selective sugar-conjugated arylsulfonamide carboxylate water-soluble inhibitor (DC27). | Descriptor: | (2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | Deposit date: | 2016-02-05 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors. Chemmedchem, 11, 2016
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6LER
| 169 bp nucleosome harboring non-identical cohesive DNA termini. | Descriptor: | CALCIUM ION, DNA (169-MER), Histone H2A type 1-B/E, ... | Authors: | Sharma, D, Adhireksan, Z, Lee, P.L, Davey, C.A. | Deposit date: | 2019-11-26 | Release date: | 2021-03-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Engineering nucleosomes for generating diverse chromatin assemblies. Nucleic Acids Res., 49, 2021
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5HZZ
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7SJY
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