8YHP
 
 | | Structure of the PGK1 from Biortus. | | Descriptor: | 1,2-ETHANEDIOL, Phosphoglycerate kinase 1 | | Authors: | Wang, F, Cheng, W, Lv, Z, Ju, C, Wang, J. | | Deposit date: | 2024-02-28 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of the PGK1 from Biortus.
To Be Published
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8EHE
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7ACD
 | | Crystal structure of the human METTL3-METTL14 complex with compound T30 (UZH1a) | | Descriptor: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, MAGNESIUM ION, ... | | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | | Deposit date: | 2020-09-10 | | Release date: | 2020-10-28 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | METTL3 Inhibitors for Epitranscriptomic Modulation of Cellular Processes.
Chemmedchem, 16, 2021
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7JSV
 | | Cryo-EM structure of conjugative pili from carbapenem-resistant Klebsiella pneumoniae | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, Pilin | | Authors: | Zheng, W, Pena, A, Frankel, G, Egelman, E.H. | | Deposit date: | 2020-08-16 | | Release date: | 2020-09-02 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryoelectron-Microscopic Structure of the pKpQIL Conjugative Pili from Carbapenem-Resistant Klebsiella pneumoniae.
Structure, 28, 2020
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6RGJ
 | | Photorhabdus asymbiotica lectin PHL in complex with D-glucose | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lectin PHL, ... | | Authors: | Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M. | | Deposit date: | 2019-04-16 | | Release date: | 2020-07-01 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
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8ERX
 | | Structure of chimeric HLA-A*11:01-A*02:01 bound to HIV-1 RT peptide | | Descriptor: | Beta-2-microglobulin, HIV-1 RT, HLA-A*02:01 | | Authors: | Florio, T.J, Ani, O, Young, M.C, Mallik, L, Sgourakis, N.G. | | Deposit date: | 2022-10-13 | | Release date: | 2023-01-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Decoupling peptide binding from T cell receptor recognition with engineered chimeric MHC-I molecules.
Front Immunol, 14, 2023
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5MM9
 | | VIM-2_2b. Metallo-beta-Lactamase Inhibitors by Bioisosteric Replacement: Preparation, Activity and Binding | | Descriptor: | (2~{R})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol, MAGNESIUM ION, Metallo-beta-lactamase VIM-17, ... | | Authors: | Skagseth, S, Akhter, S, Paulsen, M.H, Samuelsen, O, Muhammad, Z, Leiros, H.-K.S, Bayer, A. | | Deposit date: | 2016-12-08 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Metallo-beta-lactamase inhibitors by bioisosteric replacement: Preparation, activity and binding.
Eur J Med Chem, 135, 2017
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7A9B
 | | Crystal structure of Shank1 PDZ domain with ARAP3-derived peptide | | Descriptor: | 1,2-ETHANEDIOL, SH3 and multiple ankyrin repeat domains protein 1,Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3 | | Authors: | Mariam McAuley, M, Ali, M, Ivarsson, Y, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-09-01 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of Shank1 PDZ domain with ARAP3-derived peptide
to be published
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8QTH
 | | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8) | | Descriptor: | 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | Authors: | Schimpl, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
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1F27
 | | CRYSTAL STRUCTURE OF A BIOTIN-BINDING RNA PSEUDOKNOT | | Descriptor: | BIOTIN, MAGNESIUM ION, RNA (5'-R(*AP*AP*AP*AP*AP*GP*UP*CP*CP*UP*C)-3'), ... | | Authors: | Nix, J, Sussman, D, Wilson, C. | | Deposit date: | 2000-05-23 | | Release date: | 2000-06-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The 1.3 A crystal structure of a biotin-binding pseudoknot and the basis for RNA molecular recognition.
J.Mol.Biol., 296, 2000
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5YZP
 | | Crystal structure of p204 HINa domain | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Ifi204 | | Authors: | Jin, T. | | Deposit date: | 2017-12-15 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.581 Å) | | Cite: | Structural mechanism of DNA recognition by the p204 HIN domain.
Nucleic Acids Res., 2021
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5M7U
 | | Structure of human O-GlcNAc hydrolase with new iminocyclitol type inhibitor | | Descriptor: | 2-[(2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{N}-methyl-ethanamide, Protein O-GlcNAcase | | Authors: | Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J. | | Deposit date: | 2016-10-28 | | Release date: | 2017-03-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
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5ACZ
 | | COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 11MER CHICKEN PEPTIDE | | Descriptor: | 1,2-ETHANEDIOL, 11MER PEPTIDE, BETA-2-MICROGLOBULIN, ... | | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Kaufman, J.F, Lea, S.M. | | Deposit date: | 2015-08-19 | | Release date: | 2016-09-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Complex of a B21 Chicken Mhc Class I Molecule and a 11mer Chicken Peptide
To be Published
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9M7M
 | | Crystal structure of human pseudouridine 5'-monophosphate phosphatase (hHDHD1A) complexed with pseudouridine | | Descriptor: | 5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione, MAGNESIUM ION, Pseudouridine-5'-phosphatase | | Authors: | Seo, S, Rhee, S. | | Deposit date: | 2025-03-10 | | Release date: | 2025-06-18 | | Last modified: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Structural and functional insights into the substrate specificity of the pseudouridine monophosphate phosphatase HDHD1A.
J.Biol.Chem., 301, 2025
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6HXL
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9BBH
 | | Co-crystal structure of human DDB1 bound to fragment UB028670 | | Descriptor: | 1,2-ETHANEDIOL, 4-methoxy-1H-indole, DNA damage-binding protein 1, ... | | Authors: | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-05 | | Release date: | 2024-06-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Co-crystal structure of human DDB1 bound to fragment UB028670
To be published
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5C2I
 | | Crystal structure of Anabaena sp. DyP-type peroxidese (AnaPX) | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Alr1585 protein, ... | | Authors: | Yoshida, T, Amano, Y, Tsuge, H, Sugano, Y. | | Deposit date: | 2015-06-16 | | Release date: | 2015-12-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Anabaena sp. DyP-type peroxidase is a tetramer consisting of two asymmetric dimers.
Proteins, 84, 2016
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9BBG
 | | Co-crystal structure of human DDB1 bound to fragment UB028671 | | Descriptor: | 1,2-ETHANEDIOL, 1H-indol-6-amine, DNA damage-binding protein 1, ... | | Authors: | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-05 | | Release date: | 2024-06-12 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Co-crystal structure of human DDB1 bound to fragment UB028671
To be published
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8QN0
 | | Soluble epoxide hydrolase in complex with RK3 | | Descriptor: | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2 | | Authors: | Kumar, A, Zhu, F, Ehrler, J.M.H, Li, F, Empel, C, Xu, Y, Atodiresei, I, Koenigs, R.M, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-09-25 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Photosensitization enables Pauson-Khand-type reactions with nitrenes.
Science, 383, 2024
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8Y2H
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5MA9
 | | GFP-binding DARPin fusion gc_R11 | | Descriptor: | 1,2-ETHANEDIOL, Green fluorescent protein, R11 | | Authors: | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | | Deposit date: | 2016-11-03 | | Release date: | 2017-11-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
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9B8P
 | | Synaptic Vesicle V-ATPase with synaptophysin and SidK, State 3, V1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATPase H+-transporting V1 subunit D, H(+)-transporting two-sector ATPase, ... | | Authors: | Coupland, E.M, Rubinstein, J.L. | | Deposit date: | 2024-03-31 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | High-resolution electron cryomicroscopy of V-ATPase in native synaptic vesicles.
Science, 385, 2024
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4ZVE
 | | Crystal structure of GGDEF domain of the E. coli DosC - form I (apo-form) | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Diguanylate cyclase DosC | | Authors: | Tarnawski, M, Barends, T.R.M, Schlichting, I. | | Deposit date: | 2015-05-18 | | Release date: | 2015-11-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural analysis of an oxygen-regulated diguanylate cyclase.
Acta Crystallogr.,Sect.D, 71, 2015
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8COV
 | | Pa.FabF-C164Q in complex with 6-chloro-2-methyl-1H-indole-5-carboxylic acid | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, 6-chloranyl-2-methyl-1~{H}-indole-5-carboxylic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Georgiou, C, Brenk, R, Espeland, L.O. | | Deposit date: | 2023-02-28 | | Release date: | 2024-01-10 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
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7SPP
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