6RK6
| Characterization of an intertidal zone metagenome oligoribonuclease and the role of the intermolecular disulfide bond for homodimer formation and nuclease activity. | Descriptor: | MANGANESE (II) ION, Oligoribonuclease | Authors: | Piotrowski, Y, Berg, K, Klebl, D.P, Leiros, I, Larsen, A.N. | Deposit date: | 2019-04-30 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Characterization of an intertidal zone metagenome oligoribonuclease and the role of the intermolecular disulfide bond for homodimer formation and nuclease activity. Febs Open Bio, 9, 2019
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5MA7
| Structure of thermolysin in complex with inhibitor (JC306). | Descriptor: | (2~{S})-2-[[(2~{S})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | Deposit date: | 2016-11-03 | Release date: | 2017-08-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | How Nothing Boosts Affinity: Hydrophobic Ligand Binding to the Virtually Vacated S1' Pocket of Thermolysin. J. Am. Chem. Soc., 139, 2017
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8DMA
| Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse ACE2 (focused refinement of RBD and ACE2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S. | Deposit date: | 2022-07-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein. Cell Rep, 42, 2023
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3LBO
| Human aldose reductase mutant T113C complexed with IDD594 | Descriptor: | Aldose reductase, BROMIDE ION, CITRIC ACID, ... | Authors: | Koch, C, Heine, A, Klebe, G. | Deposit date: | 2010-01-08 | Release date: | 2010-12-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors J.Mol.Biol., 406, 2011
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6XON
| DCN1 bound to inhibitor 9 | Descriptor: | (2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide, Lysozyme DCN1-like protein 1 chimera | Authors: | Stuckey, J.A. | Deposit date: | 2020-07-07 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity. Nat Commun, 12, 2021
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6RMC
| Crystal structure of the DEAH-box ATPase Prp2 in complex with Spp2 and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative mRNA splicing factor, ... | Authors: | Hamann, F, Neumann, P, Schmitt, A, Ficner, R. | Deposit date: | 2019-05-06 | Release date: | 2020-02-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural analysis of the intrinsically disordered splicing factor Spp2 and its binding to the DEAH-box ATPase Prp2. Proc.Natl.Acad.Sci.USA, 117, 2020
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8DM6
| Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with human ACE2 (focused refinement of RBD and ACE2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S. | Deposit date: | 2022-07-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein. Cell Rep, 42, 2023
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4X9P
| Crystal structure of bovine Annexin A2 | Descriptor: | Annexin A2, CALCIUM ION, CHLORIDE ION | Authors: | Shumilin, I.A, Hollas, H, Vedeler, A, Kretsinger, R.H. | Deposit date: | 2014-12-11 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The native structure of annexin A2 peptides in hydrophilic environment determines their anti-angiogenic effects. Biochem. Pharmacol., 95, 2015
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6X7R
| E. coli beta-ketoacyl-[acyl carrier protein] synthase III (FabH) in complex with oxa(dethia)-coenzyme A | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Benjamin, A.B, Stunkard, L.M, Ling, J, Nice, J.N, Lohman, J.R. | Deposit date: | 2020-05-30 | Release date: | 2021-06-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structures of chloramphenicol acetyltransferase III and Escherichia coli beta-keto-acylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(de-thia)CoA Acta Crystallogr.,Sect.F, 2023
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6IC0
| Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 4 | Descriptor: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | Authors: | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | Deposit date: | 2018-12-01 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties. Bioorg. Med. Chem. Lett., 29, 2019
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5MD3
| The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=11, twist=12 | Descriptor: | Capsid protein p24 | Authors: | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | Deposit date: | 2016-11-10 | Release date: | 2016-12-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (8.5 Å) | Cite: | The structure and flexibility of conical HIV-1 capsids determined within intact virions. Science, 354, 2016
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6ROJ
| Cryo-EM structure of the activated Drs2p-Cdc50p | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ... | Authors: | Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P. | Deposit date: | 2019-05-13 | Release date: | 2019-07-03 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure and autoregulation of a P4-ATPase lipid flippase. Nature, 571, 2019
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5MDE
| The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=23, twist=0 | Descriptor: | Capsid protein p24 C-terminal domain, Capsid protein p24 N-terminal domain | Authors: | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | Deposit date: | 2016-11-10 | Release date: | 2016-12-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (8.4 Å) | Cite: | The structure and flexibility of conical HIV-1 capsids determined within intact virions. Science, 354, 2016
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6EKU
| Vibrio cholerae neuraminidase complexed with zanamivir | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Schuetz, A, Heinemann, U. | Deposit date: | 2017-09-27 | Release date: | 2017-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Different Inhibitory Potencies of Oseltamivir Carboxylate, Zanamivir, and Several Tannins on Bacterial and Viral Neuraminidases as Assessed in a Cell-Free Fluorescence-Based Enzyme Inhibition Assay. Molecules, 22, 2017
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7RC9
| Crystal structure of human TLR8 ectodomain bound to small molecule antagonist 21 | Descriptor: | 2-(2,6-dimethylpyridin-4-yl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | Authors: | Critton, D.A. | Deposit date: | 2021-07-07 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Identification of 2-Pyridinylindole-Based Dual Antagonists of Toll-like Receptors 7 and 8 (TLR7/8). Acs Med.Chem.Lett., 13, 2022
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3LEQ
| The Crystal Structure of the Roadblock/LC7 domain from Streptomyces avermitillis to 1.85A | Descriptor: | uncharacterized protein cvnB5 | Authors: | Stein, A.J, Xu, X, Cui, H, Ng, J, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-01-15 | Release date: | 2010-02-02 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Crystal Structure of the Roadblock/LC7 domain from Streptomyces avermitillis to 1.85A To be Published
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6EC6
| Ruminococcus gnavus Beta-glucuronidase | Descriptor: | Beta-glucuronidase, CHLORIDE ION, GLYCEROL | Authors: | Biernat, K.A, Redinbo, M.R. | Deposit date: | 2018-08-07 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure, function, and inhibition of drug reactivating human gut microbial beta-glucuronidases. Sci Rep, 9, 2019
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8DM8
| Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with mouse ACE2 (focused refinement of RBD and ACE2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S. | Deposit date: | 2022-07-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein. Cell Rep, 42, 2023
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6XAY
| Structure of a fragment of human fibronectin containing the 10th, 11th and 12th type III domains | Descriptor: | Fibronectin, GLYCEROL | Authors: | Mou, T.C, Nepomuceno, P.A, Sprang, S.R, Briknarova, K. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Fragment of human fibronectin containing the 10th, 11th and 12th type III domains To Be Published
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8ATR
| Small molecular stabilizer for C-RAF (pS259) and 14-3-3 (1075297) | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, CHLORIDE ION, ... | Authors: | Visser, E.J, Overmans, M.J.A.M, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-08-24 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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6S2Y
| Water-soluble Chlorophyll Protein (WSCP) from Lepidium virginicum with Chlorophyll-b | Descriptor: | CHLOROPHYLL B, Water-soluble chlorophyll protein | Authors: | Agostini, A, Meneghin, E, Gewehr, L, Pedron, D, Palm, D.M, Carbonera, D, Paulsen, H, Jaenicke, E, Collini, E. | Deposit date: | 2019-06-23 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | How water-mediated hydrogen bonds affect chlorophyll a/b selectivity in Water-Soluble Chlorophyll Protein. Sci Rep, 9, 2019
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8QWO
| Structure of p53 cancer mutant Y234C | Descriptor: | Cellular tumor antigen p53, GLYCEROL, ZINC ION | Authors: | Balourdas, D.I, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-10-19 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structural basis of p53 inactivation by cavity-creating cancer mutations and its implications for the development of mutant p53 reactivators. Cell Death Dis, 15, 2024
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1A1Q
| HEPATITIS C VIRUS NS3 PROTEINASE | Descriptor: | NS3 PROTEINASE, ZINC ION | Authors: | Love, R.A, Parge, H.E, Wickersham, J.A, Hostomsky, Z, Habuka, N, Moomaw, E.W, Adachi, T, Hostomska, Z. | Deposit date: | 1997-12-12 | Release date: | 1998-03-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The crystal structure of hepatitis C virus NS3 proteinase reveals a trypsin-like fold and a structural zinc binding site. Cell(Cambridge,Mass.), 87, 1996
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3LFR
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8ATS
| Small molecular stabilizer for C-RAF (pS259) and 14-3-3 (1075306) | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, CHLORIDE ION, ... | Authors: | Visser, E.J, Overmans, M.J.A.M, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-08-24 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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