8DOI
| Dehaloperoxidase B in complex with 2,2'-Biphenol | Descriptor: | 2-(2-hydroxyphenyl)phenol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | de Serrano, V.S, Yun, D, Ghiladi, R. | Deposit date: | 2022-07-13 | Release date: | 2022-11-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase. J.Inorg.Biochem., 238, 2023
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5NNO
| Structure of TbALDH3 complexed with NAD and AN3057 aldehyde | Descriptor: | 4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde, Aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Zoltner, M, Zhang, N, Horn, D, Field, M.C. | Deposit date: | 2017-04-10 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Host-parasite co-metabolic activation of antitrypanosomal aminomethyl-benzoxaboroles. PLoS Pathog., 14, 2018
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7JSJ
| Structure of the NaCT-PF2 complex | Descriptor: | (2R)-2-[2-(4-tert-butylphenyl)ethyl]-2-hydroxybutanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ... | Authors: | Sauer, D.B, Wang, B, Song, J, Rice, W.J, Wang, D.N. | Deposit date: | 2020-08-14 | Release date: | 2021-02-24 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Structure and inhibition mechanism of the human citrate transporter NaCT. Nature, 591, 2021
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5DS9
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5DTE
| Crystal Structure of an ABC transporter periplasmic solute binding protein (IPR025997) from Actinobacillus succinogenes 130z(Asuc_0081, TARGET EFI-511065) with bound D-allose | Descriptor: | Monosaccharide-transporting ATPase, beta-D-allopyranose | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-09-18 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of an ABC transporter periplasmic solute binding protein (IPR025997) from Actinobacillus succinogenes 130z(Asuc_0081, TARGET EFI-511065) with bound D-allose To be published
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5KNK
| Lipid A secondary acyltransferase LpxM from Acinetobacter baumannii with catalytic residue substitution (E127A) | Descriptor: | DODECYL-BETA-D-MALTOSIDE, GLYCEROL, Lipid A biosynthesis lauroyl acyltransferase, ... | Authors: | Dovala, D.L, Hu, Q, Metzger IV, L.E. | Deposit date: | 2016-06-28 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided enzymology of the lipid A acyltransferase LpxM reveals a dual activity mechanism. Proc.Natl.Acad.Sci.USA, 113, 2016
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6GBY
| Copper nitrite reductase from Achromobacter cycloclastes: non-polymorph separated dataset 1 | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | Authors: | Ebrahim, A, Appleby, M.V, Axford, D, Beale, J, Moreno-Chicano, T, Sherrell, D.A, Strange, R.W, Owen, R.L, Hough, M.A. | Deposit date: | 2018-04-16 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Resolving polymorphs and radiation-driven effects in microcrystals using fixed-target serial synchrotron crystallography. Acta Crystallogr D Struct Biol, 75, 2019
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5CWU
| Crystal structure of Chaetomium thermophilum Nup188 TAIL domain | Descriptor: | GLYCEROL, Nucleoporin NUP188 | Authors: | Stuwe, T, Bley, C.J, Thierbach, K, Petrovic, S, Schilbach, S, Mayo, D.J, Perriches, T, Rundlet, E.J, Jeon, Y.E, Collins, L.N, Lin, D.H, Paduch, M, Koide, A, Lu, V, Fischer, J, Hurt, E, Koide, S, Kossiakoff, A.A, Hoelz, A. | Deposit date: | 2015-07-28 | Release date: | 2015-09-16 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Architecture of the fungal nuclear pore inner ring complex. Science, 350, 2015
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6GBB
| Copper nitrite reductase from Achromobacter cycloclastes: large cell polymorph dataset 1 | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | Authors: | Ebrahim, A, Appleby, M.V, Axford, D, Beale, J, Moreno-Chicano, T, Sherrell, D.A, Strange, R.W, Owen, R.L, Hough, M.A. | Deposit date: | 2018-04-13 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Resolving polymorphs and radiation-driven effects in microcrystals using fixed-target serial synchrotron crystallography. Acta Crystallogr D Struct Biol, 75, 2019
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5NRW
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8V9M
| Human Ornithine Aminotransferase cocrystallized with its inhibitor, (R)-3-amino-5,5-difluorocyclohex-1-ene-1-carboxylic acid. | Descriptor: | 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid, GLYCEROL, Ornithine aminotransferase, ... | Authors: | Vargas, A.L, Devitt, A, Kaley, N, Silverman, R, Liu, D. | Deposit date: | 2023-12-08 | Release date: | 2024-05-08 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Design, Synthesis, and Mechanistic Studies of ( R )-3-Amino-5,5-difluorocyclohex-1-ene-1-carboxylic Acid as an Inactivator of Human Ornithine Aminotransferase. Acs Chem.Biol., 19, 2024
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3JRD
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7OKN
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5N8I
| Serial Cu nitrite reductase structures at elevated cryogenic temperature, 100K reference dataset. | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION | Authors: | Horrell, S, Kekilli, D, Hough, M, Strange, R. | Deposit date: | 2017-02-23 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase. IUCrJ, 4, 2017
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8JCC
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6WE6
| Camphor bound P450cam D251E structure | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Amaya, J.A, Poulos, T.L, Batabyal, D. | Deposit date: | 2020-04-01 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1. Biochemistry, 59, 2020
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7OZD
| FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 34. | Descriptor: | 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide, ... | Authors: | Trinh, C.H, Turner, L.D, Fishwick, C.W.G. | Deposit date: | 2021-06-27 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor. J.Med.Chem., 65, 2022
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7OZB
| FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 38. | Descriptor: | 1,2-ETHANEDIOL, 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol, Fibroblast growth factor receptor 1, ... | Authors: | Trinh, C.H, Turner, L.D, Fishwick, C.W.G. | Deposit date: | 2021-06-27 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor. J.Med.Chem., 65, 2022
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5D92
| Structure of a phosphatidylinositolphosphate (PIP) synthase from Renibacterium Salmoninarum | Descriptor: | 5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, AF2299 protein,Phosphatidylinositol synthase, MAGNESIUM ION, ... | Authors: | Clarke, O.B, Tomasek, D.T, Jorge, C.D, Belcher Dufrisne, M, Kim, M, Banerjee, S, Rajashankar, K.R, Hendrickson, W.A, Santos, H, Mancia, F. | Deposit date: | 2015-08-18 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.62 Å) | Cite: | Structural basis for phosphatidylinositol-phosphate biosynthesis. Nat Commun, 6, 2015
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5KRT
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5NBU
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7OZF
| FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 19. | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Fibroblast growth factor receptor 1, ... | Authors: | Trinh, C.H, Turner, L.D, Fishwick, C.W.G. | Deposit date: | 2021-06-28 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor. J.Med.Chem., 65, 2022
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7OZY
| FGFR2 kinase domain (residues 461-763) in complex with 38. | Descriptor: | 1,2-ETHANEDIOL, 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol, Fibroblast growth factor receptor 2, ... | Authors: | Trinh, C.H, Turner, L.D, Fishwick, C.W.G. | Deposit date: | 2021-06-29 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor. J.Med.Chem., 65, 2022
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7ZPQ
| Structure of the RQT-bound 80S ribosome from S. cerevisiae (C1) | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | Authors: | Best, K.M, Ikeuchi, K, Kater, L, Best, D.M, Musial, J, Matsuo, Y, Berninghausen, O, Becker, T, Inada, T, Beckmann, R. | Deposit date: | 2022-04-28 | Release date: | 2023-02-22 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Structural basis for clearing of ribosome collisions by the RQT complex. Nat Commun, 14, 2023
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5E3N
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