7TC2
 
 | | Human APE1 in complex with 5-nitroindole-2-carboxylic acid | | Descriptor: | 1,2-ETHANEDIOL, 5-nitro-1H-indole-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | | Deposit date: | 2021-12-22 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Characterizing inhibitors of human AP endonuclease 1.
Plos One, 18, 2023
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8RIY
 | | Human NUDT5 with ibrutinib derivative | | Descriptor: | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, ADP-sugar pyrophosphatase | | Authors: | Balikci-Akil, E, Elkins, J.M, Huber, K.V.M. | | Deposit date: | 2023-12-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.288 Å) | | Cite: | Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.
J.Med.Chem., 67, 2024
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6O1A
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8P67
 | | Crystal structure of Thermothelomyces thermophila (double mutant EE) in complex with aldotetrauronic acid | | Descriptor: | 1,2-ETHANEDIOL, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, GH30 family xylanase, ... | | Authors: | Dimarogona, M, Pentari, C, Kosinas, C, Topakas, E. | | Deposit date: | 2023-05-25 | | Release date: | 2024-05-22 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Structural and molecular insights into a bifunctional glycoside hydrolase 30 xylanase specific to glucuronoxylan.
Biotechnol.Bioeng., 121, 2024
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5N7C
 | | Human TTR altered conformation from soaking in CuCl2. | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, COPPER (II) ION, ... | | Authors: | Ciccone, L, Savko, M, Shepard, W, Stura, E.A. | | Deposit date: | 2017-02-20 | | Release date: | 2018-03-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Copper mediated amyloid-beta binding to Transthyretin.
Sci Rep, 8, 2018
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5YYM
 | | Crystal structures of E.coli arginyl-trna synthetase (argrs) in complex with substrate Arg | | Descriptor: | ARGININE, Arginine--tRNA ligase | | Authors: | Zhou, M, Ye, S, Stephen, P, Zhang, R.G, Wang, E.D, Giege, R, Lin, S.X. | | Deposit date: | 2017-12-10 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structures Of E.Coli Arginyl-Trna Synthetase (Argrs) In Complex With Substrates
To Be Published
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5N88
 | | Crystal structure of antibody bound to viral protein | | Descriptor: | PC4 and SFRS1-interacting protein, VH59 antibody | | Authors: | Bao, L, Hannon, C, Cruz-Migoni, A, Ptchelkine, D, Sun, M.-y, Derveni, M, Bunjobpol, W, Chambers, J.S, Simmons, A, Phillips, S.E.V, Rabbitts, T.H. | | Deposit date: | 2017-02-23 | | Release date: | 2017-12-20 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Intracellular immunization against HIV infection with an intracellular antibody that mimics HIV integrase binding to the cellular LEDGF protein.
Sci Rep, 7, 2017
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4ZZP
 | | Dictyostelium purpureum cellobiohydrolase Cel7A apo structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE | | Authors: | Momeni, M.H, Hobdey, S.E, Knott, B, Beckham, G.T, Stahlberg, J. | | Deposit date: | 2015-04-13 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Biochemical and Structural Characterization of Two Dictyostelium Cellobiohydrolases from the Amoebozoa Kingdom Reveal a High Conservation between Distant Phylogenetic Trees of Life.
Appl.Environ.Microbiol., 82, 2016
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1YFH
 | | wt Human O6-Alkylguanine-DNA Alkyltransferase Bound To DNA Containing an Alkylated Cytosine | | Descriptor: | 5'-D(*CP*CP*TP*AP*CP*AP*CP*AP*CP*AP*TP*CP*CP*AP*CP*A)-3', 5'-D(*GP*TP*GP*GP*AP*TP*GP*(XCY)P*GP*TP*GP*TP*AP*GP*GP*T)-3', Methylated-DNA--protein-cysteine methyltransferase, ... | | Authors: | Duguid, E.M, Rice, P.A, He, C. | | Deposit date: | 2004-12-31 | | Release date: | 2005-12-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | The structure of the human AGT protein bound to DNA and its implications for damage detection.
J.Mol.Biol., 350, 2005
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6NJZ
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4ZSW
 | | Pig Brain GABA-AT inactivated by (E)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic acid | | Descriptor: | (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ... | | Authors: | Wu, R, Lee, H, Le, H.V, Doud, E, Sanishvili, R, Compton, P, Kelleher, N.L, Silverman, R.B, Liu, D. | | Deposit date: | 2015-05-14 | | Release date: | 2015-07-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism of Inactivation of GABA Aminotransferase by (E)- and (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic Acid.
Acs Chem.Biol., 10, 2015
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5N62
 | | Human TTR crystals soaked in manganese chloride. | | Descriptor: | MANGANESE (II) ION, Transthyretin | | Authors: | Ciccone, L, Savko, M, Shepard, W, Stura, E.A. | | Deposit date: | 2017-02-14 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Copper mediated amyloid-beta binding to Transthyretin.
Sci Rep, 8, 2018
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8R8K
 | | XBB-4 Fab in complex with SARS-CoV-2 BA.2.12.1 Spike Glycoprotein | | Descriptor: | Spike glycoprotein,Fibritin, XBB-4 Fab Heavy chain, XBB-4 Fab Light chain | | Authors: | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | | Deposit date: | 2023-11-29 | | Release date: | 2024-05-08 | | Last modified: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
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1OU4
 | | Native PNP +Talo | | Descriptor: | 6-METHYLPURINE, PHOSPHATE ION, Purine nucleoside phosphorylase | | Authors: | Ealick, S.E, Bennett, E.M, Anand, R, Secrist, J.A, Parker, W.B, Hassan, A.E, Allan, P.W, McPherson, D.T, Sorscher, E.J. | | Deposit date: | 2003-03-24 | | Release date: | 2004-02-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Designer gene therapy using an Escherichia coli purine nucleoside phosphorylase/prodrug system.
Chem.Biol., 10, 2003
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6GJQ
 | | human NBD1 of CFTR in complex with nanobody T27 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, Nanobody T27 | | Authors: | Sigoillot, M, Overtus, M, Grodecka, M, Scholl, D, Garcia-Pino, A, Laeremans, T, He, L, Pardon, E, Hildebrandt, E, Urbatsch, I, Steyaert, J, Riordan, J.R, Govaerts, C. | | Deposit date: | 2018-05-16 | | Release date: | 2019-06-19 | | Last modified: | 2019-08-21 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Domain-interface dynamics of CFTR revealed by stabilizing nanobodies.
Nat Commun, 10, 2019
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5HES
 | | Human leucine zipper- and sterile alpha motif-containing kinase (ZAK, MLT, HCCS-4, MRK, AZK, MLTK) in complex with vemurafenib | | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase MLT, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide | | Authors: | Mathea, S, Salah, E, Abdul Azeez, K.R, Tallant, C, Szklarz, M, Chaikuad, A, Shrestha, B, Sorrell, F.J, Elkins, J.M, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | | Deposit date: | 2016-01-06 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structure of the Human Protein Kinase ZAK in Complex with Vemurafenib.
Acs Chem.Biol., 11, 2016
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6BHK
 | | Phosphotriesterase variant R18deltaL7 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase, ZINC ION | | Authors: | Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N. | | Deposit date: | 2017-10-30 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Phosphotriesterase variant R18deltaL7
To Be Published
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6S0W
 | | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and kanamycin B sulfate | | Descriptor: | (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, Kanamycin B dioxygenase, ... | | Authors: | Mrugala, B, Niedzialkowska, E, Minor, W, Borowski, T. | | Deposit date: | 2019-06-18 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
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7ZVR
 | | Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) complexed with zeaxanthin | | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, Carotenoid-binding protein | | Authors: | Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O. | | Deposit date: | 2022-05-17 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the carotenoid binding and transport function of a START domain.
Structure, 30, 2022
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3NRP
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2WAB
 | | Structure of an active site mutant of a family two carbohydrate esterase from Clostridium thermocellum in complex with celluohexase | | Descriptor: | ENDOGLUCANASE E, GLYCEROL, IODIDE ION, ... | | Authors: | Montainer, C, Money, V.A, Pires, V.M.R, Flint, J.E, Pinheiro, B.A, Goyal, A, Prates, J.A.M, Izumi, A, Stalbrand, H, Kolenova, K, Topakas, E, Dodson, E.J, Bolam, D.N, Davies, G.J, Fontes, C.M.G.A, Gilbert, H.J. | | Deposit date: | 2009-02-04 | | Release date: | 2009-03-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions.
Plos Biol., 7, 2009
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1A8E
 | | HUMAN SERUM TRANSFERRIN, RECOMBINANT N-TERMINAL LOBE | | Descriptor: | CARBONATE ION, FE (III) ION, SERUM TRANSFERRIN | | Authors: | Macgillivray, R.T.A, Moore, S.A, Chen, J, Anderson, B.F, Baker, H, Luo, Y, Bewley, M, Smith, C.A, Murphy, M.E.P, Wang, Y, Mason, A.B, Woodworth, R.C, Brayer, G.D, Baker, E.N. | | Deposit date: | 1998-03-24 | | Release date: | 1998-06-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Two high-resolution crystal structures of the recombinant N-lobe of human transferrin reveal a structural change implicated in iron release.
Biochemistry, 37, 1998
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6GQW
 | | KRAS-169 Q61H GPPNHP + CH-1 | | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | | Deposit date: | 2018-06-08 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5HRW
 | | Crystal structure of the fifth bromodomain of human PB1 in complex with 1-propylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | | Descriptor: | 1,2-ETHANEDIOL, 1-propylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1, ... | | Authors: | Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S. | | Deposit date: | 2016-01-24 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
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6NMI
 | | Cryo-EM structure of the human TFIIH core complex | | Descriptor: | CDK-activating kinase assembly factor MAT1, General transcription and DNA repair factor IIH helicase subunit XPB, General transcription and DNA repair factor IIH helicase subunit XPD, ... | | Authors: | Greber, B.J, Toso, D, Fang, J, Nogales, E. | | Deposit date: | 2019-01-10 | | Release date: | 2019-03-13 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | The complete structure of the human TFIIH core complex.
Elife, 8, 2019
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