2K0T
 
 | | High Resolution Solution NMR Structures of Oxaliplatin-DNA Adduct | | Descriptor: | CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), DNA (5'-D(*DCP*DCP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DTP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DAP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DGP*DG)-3') | | Authors: | Bhattacharyya, D, King, C.L, Chaney, S.G, Campbell, S.L. | | Deposit date: | 2008-02-14 | | Release date: | 2009-02-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Flanking Bases Influence the Nature of DNA Distortion by Platinum 1,2-Intrastrand (GG) Cross-Links.
Plos One, 6, 2011
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2GVR
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8EIY
 | | Cobalt(II)-substituted S48T Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, COBALT (II) ION, ... | | Authors: | Zheng, C, Mathews, I.I, Boxer, S.G. | | Deposit date: | 2022-09-15 | | Release date: | 2023-02-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Enhanced active-site electric field accelerates enzyme catalysis.
Nat.Chem., 15, 2023
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6MYU
 | | Avian mitochondrial complex II crystallized in the presence of HQNO | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Berry, E.A, Huang, L.-S. | | Deposit date: | 2018-11-02 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
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6V63
 | | SETD3 WT in Complex with an Actin Peptide with His73 Replaced with Glutamine | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin, ... | | Authors: | Dai, S, Horton, J.R, Cheng, X. | | Deposit date: | 2019-12-04 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation.
J.Biol.Chem., 295, 2020
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6PBD
 | | DNA N6-Adenine Methyltransferase CcrM In Complex with Double-Stranded DNA Oligonucleotide Containing Its Recognition Sequence GAATC | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*TP*CP*AP*AP*TP*GP*AP*AP*TP*CP*CP*CP*AP*AP*G)-3'), DNA (5'-D(*GP*CP*TP*TP*GP*GP*GP*AP*TP*TP*CP*AP*TP*TP*GP*AP*AP*TP*C)-3'), ... | | Authors: | Horton, J.R, Cheng, X, Woodcock, C.B. | | Deposit date: | 2019-06-13 | | Release date: | 2019-10-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.343 Å) | | Cite: | The cell cycle-regulated DNA adenine methyltransferase CcrM opens a bubble at its DNA recognition site.
Nat Commun, 10, 2019
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6VAX
 | | Crystal structure of human SDHA-SDHAF2 assembly intermediate | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M. | | Deposit date: | 2019-12-18 | | Release date: | 2020-08-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | The roles of SDHAF2 and dicarboxylate in covalent flavinylation of SDHA, the human complex II flavoprotein.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8QN3
 | | OPR3 wildtype in complex with NADH4 | | Descriptor: | 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Bijelic, A, Macheroux, P, Keschbaumer, B. | | Deposit date: | 2023-09-25 | | Release date: | 2024-01-17 | | Last modified: | 2025-02-05 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Loop 6 and the beta-hairpin flap are structural hotspots that determine cofactor specificity in the FMN-dependent family of ene-reductases.
Febs J., 291, 2024
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8SU7
 | | Crystal structure of Bacillus anthracis dihydroneopterin aldolase | | Descriptor: | 1,2-ETHANEDIOL, 7,8-dihydroneopterin aldolase | | Authors: | Shaw, G.X, Li, Y, Yan, H, Ji, X. | | Deposit date: | 2023-05-11 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of Bacillus anthracis dihydroneopterin aldolase
To be published
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9C66
 | | Structure of the Mena EVH1 domain bound to the polyproline segment of PTP1B | | Descriptor: | 1,2-ETHANEDIOL, Protein enabled homolog, SULFATE ION, ... | | Authors: | LaComb, L, Fedorov, E, Bonanno, J.B, Almo, S.C, Ghosh, A. | | Deposit date: | 2024-06-07 | | Release date: | 2024-08-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Insights into the Interaction Landscape of the EVH1 Domain of Mena.
Biochemistry, 63, 2024
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6VLT
 | | Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan | | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Shah, M.B. | | Deposit date: | 2020-01-25 | | Release date: | 2020-09-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Structure of Cytochrome P450 2C9*2 in Complex with Losartan: Insights into the Effect of Genetic Polymorphism.
Mol.Pharmacol., 98, 2020
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7OFK
 | | Ligand complex of RORg LBD | | Descriptor: | (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... | | Authors: | Xue, Y, Aagaard, A, Narjes, F. | | Deposit date: | 2021-05-05 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2.
J.Med.Chem., 64, 2021
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8VKT
 | | Crystallographic structure of dimetalated DapE from Enterococcus faecium | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Probable succinyl-diaminopimelate desuccinylase, ... | | Authors: | Gonzalez-Segura, L, Diaz-Vilchis, A, Terrazas-Lopez, M, Diaz-Sanchez, A.G. | | Deposit date: | 2024-01-09 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.398 Å) | | Cite: | The three-dimensional structure of DapE from Enterococcus faecium reveals new insights into DapE/ArgE subfamily ligand specificity.
Int.J.Biol.Macromol., 270, 2024
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6GJF
 | | Ancestral endocellulase Cel5A | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ENDOGLUCANASE, ... | | Authors: | Gavira, J.A, Perez-Jimenez, R, Barruetabena-Garate, N. | | Deposit date: | 2018-05-16 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Resurrection of efficient Precambrian endoglucanases for lignocellulosic biomass hydrolysis
Commun Chem, 2019
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7OCU
 | | Mannitol-1-phosphate bound to the phosphatase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD-N374A from Acinetobacter baumannii | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Tam, H.K, Mueller, V, Pos, K.M. | | Deposit date: | 2021-04-28 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6QAK
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6GSO
 | | Sulfolobus solfataricus 2-keto-3-deoxygluconate aldolase Y132V,T157C variant | | Descriptor: | 1,2-ETHANEDIOL, 2-dehydro-3-deoxy-phosphogluconate/2-dehydro-3-deoxy-6-phosphogalactonate aldolase, GLYCEROL | | Authors: | Crennell, S.J, Danson, M.J, Royer, S. | | Deposit date: | 2018-06-15 | | Release date: | 2019-06-26 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Sulfolobus solfataricus 2-keto-3-deoxygluconate aldolase Y132V,T157C variant
To Be Published
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8W06
 | | Crystal Structure of the reconstruction of the ancestral triosephosphate isomerase of the last opisthokont common ancestor obtained by maximum likelihood with PGH | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ACETIC ACID, ... | | Authors: | Perez-Nino, J.A, Rodriguez-Romero, A, Guerra-Borrego, Y, Fernandez-Velasco, D.A. | | Deposit date: | 2024-02-13 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Stable monomers in the ancestral sequence reconstruction of the last opisthokont common ancestor of dimeric triosephosphate isomerase.
Protein Sci., 33, 2024
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6NNV
 | | PD-L1 IgV domain complex with macro-cyclic peptide | | Descriptor: | Programmed cell death 1 ligand 1, macrocyclic peptide | | Authors: | Zhao, B, Perry, E. | | Deposit date: | 2019-01-15 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
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8QT0
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-3 | | Descriptor: | 1,2-ETHANEDIOL, 3-dodecylsulfanyl-3-methyl-butanoic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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8DYD
 | | Crystal structure of human SDHA-SDHAF2-SDHAF4 assembly intermediate | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M. | | Deposit date: | 2022-08-04 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Disordered-to-ordered transitions in assembly factors allow the complex II catalytic subunit to switch binding partners.
Nat Commun, 15, 2024
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8DYE
 | | Crystal structure of human SDHA-SDHAF4 assembly intermediate | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M. | | Deposit date: | 2022-08-04 | | Release date: | 2024-01-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Disordered-to-ordered transitions in assembly factors allow the complex II catalytic subunit to switch binding partners.
Nat Commun, 15, 2024
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6NBL
 | | Cytochrome P450cam-putidaredoxin complex bound to camphor and cyanide | | Descriptor: | 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione, CALCIUM ION, CAMPHOR, ... | | Authors: | Follmer, A.H, Tripathi, S.M, Poulos, T.L. | | Deposit date: | 2018-12-07 | | Release date: | 2019-03-06 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Ligand and Redox Partner Binding Generates a New Conformational State in Cytochrome P450cam (CYP101A1).
J. Am. Chem. Soc., 141, 2019
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6YNH
 | | GAPDH purified from the supernatant of HEK293F cells: crystal form 4 of 4 | | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Glyceraldehyde-3-phosphate dehydrogenase | | Authors: | Roversi, P, Lia, A. | | Deposit date: | 2020-04-13 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.621 Å) | | Cite: | Partial catalytic Cys oxidation of human GAPDH to Cys-sulfonic acid.
Wellcome Open Res, 5, 2020
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8DFC
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