6W2H
 
 | | Crystal Structure of the Internal UBA Domain of HHR23A | | Descriptor: | SULFATE ION, UV excision repair protein RAD23 homolog A | | Authors: | Bowler, B.E, Zeng, B, Becht, D.C, Rothfuss, M, Sprang, S.R, Mou, T.-C. | | Deposit date: | 2020-03-05 | | Release date: | 2021-03-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Residual Structure in the Denatured State of the Fast-Folding UBA(1) Domain from the Human DNA Excision Repair Protein HHR23A.
Biochemistry, 61, 2022
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6NIC
 | | Crystal Structure of Medicago truncatula Agmatine Iminohydrolase (Deiminase) in Complex with 6-aminohexanamide | | Descriptor: | 1,2-ETHANEDIOL, 6-aminohexanamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sekula, B, Dauter, Z. | | Deposit date: | 2018-12-27 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Study of Agmatine Iminohydrolase FromMedicago truncatula, the Second Enzyme of the Agmatine Route of Putrescine Biosynthesis in Plants.
Front Plant Sci, 10, 2019
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8UAN
 | | The crystal structure of cobalt-bound human ADO C18S C239S variant at 1.99 Angstrom | | Descriptor: | 2-aminoethanethiol dioxygenase, COBALT (II) ION, GLYCEROL | | Authors: | Liu, A, Li, J, Duan, R, Shin, I. | | Deposit date: | 2023-09-21 | | Release date: | 2024-07-17 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Cobalt(II)-Substituted Cysteamine Dioxygenase Oxygenation Proceeds through a Cobalt(III)-Superoxo Complex.
J.Am.Chem.Soc., 146, 2024
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8JFV
 | | Crystal structure of Catabolite repressor acivator from E. coli in complex with sulisobenzone | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Catabolite repressor/activator, ... | | Authors: | Neetu, N, Sharma, M, Mahto, J.K, Kumar, P. | | Deposit date: | 2023-05-19 | | Release date: | 2024-04-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Sulisobenzone is a potent inhibitor of the global transcription factor Cra.
J.Struct.Biol., 215, 2023
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8S6S
 | | Oxidoreductase from Phytophthora sojae | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ... | | Authors: | Banerjee, S, Turella, S, Morth, J.P, Abou Hachem, M. | | Deposit date: | 2024-02-28 | | Release date: | 2025-03-12 | | Last modified: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (1.789 Å) | | Cite: | Enzymatic oxidation of galacturonides from pectin breakdown contributes to stealth infection by Oomycota phytopathogens.
Nat Commun, 16, 2025
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6NYV
 | | Structure of spastin AAA domain in complex with a quinazoline-based inhibitor | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine, SULFATE ION, ... | | Authors: | Pisa, R, Cupido, T, Kapoor, T.M. | | Deposit date: | 2019-02-12 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.425 Å) | | Cite: | Designing Allele-Specific Inhibitors of Spastin, a Microtubule-Severing AAA Protein.
J. Am. Chem. Soc., 141, 2019
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7S8A
 | | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE, CUBIC CRYSTAL FORM | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION, Beta-2-microglobulin, ... | | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-17 | | Release date: | 2022-11-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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8ZKO
 | | CryoEM structure of Thyroid Hormone Transporter MCT8 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3,5,3'TRIIODOTHYRONINE, Monocarboxylate transporter 8 | | Authors: | Tan, J, Xiao, Y, Kong, F, Zhu, A, Qian, J, Yan, C. | | Deposit date: | 2024-05-17 | | Release date: | 2025-04-02 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Structural insights into thyroid hormone transporter MCT8.
Nat Commun, 16, 2025
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8UL7
 | | The structure of NanH in complex with Neu5Ac | | Descriptor: | 1,2-ETHANEDIOL, N-acetyl-alpha-neuraminic acid, Sialidase | | Authors: | Medley, B.J, Boraston, A.B. | | Deposit date: | 2023-10-16 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A "terminal" case of glycan catabolism: Structural and enzymatic characterization of the sialidases of Clostridium perfringens.
J.Biol.Chem., 300, 2024
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6VTR
 | | Crystal structure of G16S human Galectin-7 mutant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Galectin-7 | | Authors: | Pham, N.T.H, Calmettes, C, Doucet, N. | | Deposit date: | 2020-02-13 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Perturbing dimer interactions and allosteric communication modulates the immunosuppressive activity of human galectin-7.
J.Biol.Chem., 297, 2021
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6WDX
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7SJE
 | | Crystal structure of dehaloperoxidase B in complex with p-cymene | | Descriptor: | 1-methyl-4-(1-methylethyl)benzene, Dehaloperoxidase B, OXYGEN MOLECULE, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T, Yun, D. | | Deposit date: | 2021-10-17 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
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4ZK2
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8UGM
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6NE6
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7PWM
 | | PARP15 catalytic domain in complex with OUL252 | | Descriptor: | 4-(cyclohexylmethoxy)-2-methoxy-benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2021-10-07 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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8GII
 | | TEM-1 Beta Lactamase Variant 80.a | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, TEM-1 Variant 80.a | | Authors: | Fram, B.F, Gauthier, N.P, Khan, A.R, Sander, C. | | Deposit date: | 2023-03-14 | | Release date: | 2024-04-17 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Simultaneous enhancement of multiple functional properties using evolution-informed protein design.
Nat Commun, 15, 2024
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8GIJ
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6WYQ
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with 4-iodo-SAHA | | Descriptor: | Histone deacetylase 6, N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide, POTASSIUM ION, ... | | Authors: | Osko, J.D, Christianson, D.W. | | Deposit date: | 2020-05-13 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.90001464 Å) | | Cite: | Binding of inhibitors to active-site mutants of CD1, the enigmatic catalytic domain of histone deacetylase 6.
Acta Crystallogr.,Sect.F, 76, 2020
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8BHO
 | | GABA-A receptor a5 homomer - a5V3 - L655708 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate | | Authors: | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y. | | Deposit date: | 2022-10-31 | | Release date: | 2023-11-01 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
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8BHQ
 | | GABA-A receptor a5 homomer - a5V3 - RO7172670 | | Descriptor: | 2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]-5-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5 | | Authors: | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Kasaragod, V.B. | | Deposit date: | 2022-10-31 | | Release date: | 2023-11-01 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
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8BHS
 | | GABA-A receptor a5 homomer - a5V3 - RO4938581 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[bis(fluoranyl)methyl]-15-bromanyl-2,4,8,9,11-pentazatetracyclo[11.4.0.0^{2,6}.0^{8,12}]heptadeca-1(13),3,5,9,11,14,16-heptaene, Gamma-aminobutyric acid receptor subunit alpha-5 | | Authors: | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y. | | Deposit date: | 2022-10-31 | | Release date: | 2023-11-01 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
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7OLI
 | | Crystal structure of Pab-AGOG in complex with 8-oxoguanosine | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXY-8-OXOGUANOSINE, N-glycosylase/DNA lyase | | Authors: | Coste, F, Goffinont, S, Flament, D, Castaing, B. | | Deposit date: | 2021-05-20 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing.
Nucleic Acids Res., 50, 2022
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6NOF
 | | Crystal structure of FBF-2 repeat 5 mutant (C363A, R364Y, Q367S) in complex with 8-nt RNA | | Descriptor: | 1,2-ETHANEDIOL, Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*GP*UP*AP*AP*AP*UP*A)-3') | | Authors: | McCann, K.L, Wang, Y, Qiu, C, Hall, T.M.T. | | Deposit date: | 2019-01-16 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | Engineering a conserved RNA regulatory protein repurposes its biological function in vivo .
Elife, 8, 2019
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6WP3
 | | Pyruvate Kinase M2 Mutant-K433Q | | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Nandi, S, Razzaghi, M, Srivastava, D, Dey, M. | | Deposit date: | 2020-04-26 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural basis for allosteric regulation of pyruvate kinase M2 by phosphorylation and acetylation.
J.Biol.Chem., 295, 2020
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