6G5N
 
 | | Crystal structure of human SP100 in complex with bromodomain-focused fragment XS039818e 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine | | Descriptor: | (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Talon, R.P.H, Krojer, T, Tallant, C, Nunez-Alonso, G, Fairhead, M, Szykowska, A, Collins, P, Pearce, N.M, Ng, J, MacLean, E, Wright, N, Douangamath, A, Brandao-Neto, J, Burgess-Brown, N, Huber, K, Knapp, S, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | | Deposit date: | 2018-03-29 | | Release date: | 2018-04-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.765 Å) | | Cite: | Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Biorxiv, 2018
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4QLB
 | | Structural Basis for the Recruitment of Glycogen Synthase by Glycogenin | | Descriptor: | GLYCEROL, Probable glycogen [starch] synthase, Protein GYG-1, ... | | Authors: | Zeqiraj, E, Judd, A, Sicheri, F. | | Deposit date: | 2014-06-11 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for the recruitment of glycogen synthase by glycogenin.
Proc.Natl.Acad.Sci.USA, 111, 2014
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9G35
 | | The HIV protease inhibitor lopinavir binding to the active site of Cryphonectria parasitica endothiapepsin | | Descriptor: | 1,2-ETHANEDIOL, Endothiapepsin, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ... | | Authors: | Falke, S, Senst, J.M, Guenther, S, Meents, A. | | Deposit date: | 2024-07-11 | | Release date: | 2024-07-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The HIV protease inhibitor lopinavir binding to the active site of Cryphonectria parasitica endothiapepsin
To Be Published
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5C0O
 | | m1A58 tRNA methyltransferase mutant - Y78A | | Descriptor: | S-ADENOSYLMETHIONINE, SULFATE ION, tRNA (adenine(58)-N(1))-methyltransferase TrmI | | Authors: | Degut, C, Ponchon, L, Folly-Klan, M, Barraud, P, Tisne, C. | | Deposit date: | 2015-06-12 | | Release date: | 2015-07-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | The m1A58 modification in eubacterial tRNA: An overview of tRNA recognition and mechanism of catalysis by TrmI.
Biophys.Chem., 210, 2016
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6SI2
 | | p53 cancer mutant Y220S | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, GLYCEROL, ... | | Authors: | Joerger, A.C, Bauer, M.R, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-08-08 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm.
Acs Chem.Biol., 15, 2020
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6S9C
 | | EGFR-KINASE IN COMPLEX WITH COMPOUND 5 | | Descriptor: | DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide | | Authors: | Bader, G. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.
J.Med.Chem., 62, 2019
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5J7C
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9JBE
 | | Cryo-EM structure of the human LYCHOS in complex with cholesterol and cholesteryl hemisuccinate in the contracted state | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL, ... | | Authors: | Yu, S, Liang, L. | | Deposit date: | 2024-08-27 | | Release date: | 2025-07-16 | | Last modified: | 2025-08-27 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | Structural insights into cholesterol sensing by the LYCHOS-mTORC1 pathway.
Nat Commun, 16, 2025
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6P9M
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7TTZ
 | | Heterodimeric IgA Fc in complex with Staphylococcus aureus protein SSL7 | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Boulanger, M.J, Verstraete, M, Heinkel, F, Escobar, E, Dixit, S, Von Kreudenstein, T.S. | | Deposit date: | 2022-02-02 | | Release date: | 2023-02-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Engineering a pure and stable heterodimeric IgA for the development of multispecific therapeutics.
Mabs, 14, 2022
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3H92
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9C7S
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8FXC
 | | SARS-CoV-2 BQ.1.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Heavy chain, ... | | Authors: | Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D. | | Deposit date: | 2023-01-24 | | Release date: | 2023-10-04 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
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8FBQ
 | | Crystal structure of Plasmodium vivax glycylpeptide N-tetradecanoyltransferase (N-myristoyltransferase, NMT) bound to myristoyl-CoA and inhibitor 12b | | Descriptor: | 1-[(3M)-3-{3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]pyridin-2-yl}phenyl]piperazine, ACETATE ION, CHLORIDE ION, ... | | Authors: | Fenwick, M.K, Staker, B.L, Lovell, S.W, Phan, I.Q, Early, J, Myler, P.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2022-11-29 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Identification of potent and selective N-myristoyltransferase inhibitors of Plasmodium vivax liver stage hypnozoites and schizonts.
Nat Commun, 14, 2023
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4QOS
 | | CRYSTAL STRUCTURE OF PSPF(1-265) E108Q MUTANT bound to ADP | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Darbari, V.C, Lawton, E, Lu, D, Burrows, P.C, Wiesler, S, Joly, N, Zhang, N, Zhang, X, Buck, M. | | Deposit date: | 2014-06-20 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Molecular basis of nucleotide-dependent substrate engagement and remodeling by an AAA+ activator.
Nucleic Acids Res., 42, 2014
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6DMH
 | | A multiconformer ligand model of acylenzyme intermediate of meropenem bound to an SFC-1 E166A mutant | | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase | | Authors: | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | Deposit date: | 2018-06-05 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
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5LCE
 | | Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(5-chloro-2-(hydroxymethyl)benzy l)pyrrolidine-2-carboxamide | | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Sandner, A, Heine, A, Klebe, G. | | Deposit date: | 2016-06-21 | | Release date: | 2017-07-26 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
J.Med.Chem., 62, 2019
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8W9D
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5GHA
 | | Sulfur Transferase TtuA in complex with Sulfur Carrier TtuB | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Sulfur Carrier TtuB, ... | | Authors: | Chen, M, Narai, S, Tanaka, Y, Yao, M. | | Deposit date: | 2016-06-19 | | Release date: | 2017-05-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Biochemical and structural characterization of oxygen-sensitive 2-thiouridine synthesis catalyzed by an iron-sulfur protein TtuA
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5GIX
 | | Human serum albumin-Palmitic acid-Fe(Hn3piT)Cl2 | | Descriptor: | 14-piperidin-1-yl-11-oxa-13$l^{3}-thia-15,16$l^{4}-diaza-12$l^{3}-ferratetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,8,13,16-heptaene, PALMITIC ACID, Serum albumin | | Authors: | Yang, F, Qi, J, Wang, T. | | Deposit date: | 2016-06-25 | | Release date: | 2017-07-19 | | Last modified: | 2025-09-17 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Developing Anticancer Ferric Prodrugs Based on the N-Donor Residues of Human Serum Albumin Carrier IIA Subdomain
J. Med. Chem., 59, 2016
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4B87
 | | Crystal structure of human DNA cross-link repair 1A | | Descriptor: | 1,2-ETHANEDIOL, DNA CROSS-LINK REPAIR 1A PROTEIN, ZINC ION | | Authors: | Allerston, C.K, Berridge, G, Carpenter, E.P, Kochan, G, Krojer, T, Mahajan, P, Vollmar, M, Yue, W.W, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Gileadi, O. | | Deposit date: | 2012-08-24 | | Release date: | 2012-11-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal Structure of Human DNA Cross-Link Repair 1A
To be Published
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6ADW
 | | Crystal structure of the Zika virus NS3 helicase (apo form) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION, Serine protease NS3 | | Authors: | Fang, J, Lu, G, Gong, P. | | Deposit date: | 2018-08-02 | | Release date: | 2019-03-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic Snapshots of the Zika Virus NS3 Helicase Help Visualize the Reactant Water Replenishment.
ACS Infect Dis, 5, 2019
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2ADI
 | | Crystal structure of monoclonal anti-CD4 antibody Q425 in complex with Barium | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BARIUM ION, Q425 Fab Heavy chain, ... | | Authors: | Zhou, T, Hamer, D.H, Hendrickson, W.A, Sattentau, Q.J, Kwong, P.D. | | Deposit date: | 2005-07-20 | | Release date: | 2005-09-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Interfacial metal and antibody recognition.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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4XSG
 | | The complex structure of C3cer exoenzyme and GTP bound RhoA (NADH-free state) | | Descriptor: | 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ADP-ribosyltransferase, ... | | Authors: | Toda, A, Tsurumura, T, Yoshida, T, Tsuge, H. | | Deposit date: | 2015-01-22 | | Release date: | 2015-06-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Rho GTPase Recognition by C3 Exoenzyme Based on C3-RhoA Complex Structure.
J.Biol.Chem., 290, 2015
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8CWT
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