8OGE
 
 | | Structure of cobalt(II) substituted double mutant human carbonic anhydrase II bound to thiocyanate | | Descriptor: | 4-(HYDROXYMERCURY)BENZOIC ACID, COBALT (II) ION, Carbonic anhydrase 2, ... | | Authors: | Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C. | | Deposit date: | 2023-03-20 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase.
J.Inorg.Biochem., 244, 2023
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3FF8
 | | Structure of NK cell receptor KLRG1 bound to E-cadherin | | Descriptor: | CALCIUM ION, Epithelial cadherin, Killer cell lectin-like receptor subfamily G member 1 | | Authors: | Li, Y, Mariuzza, R.A. | | Deposit date: | 2008-12-02 | | Release date: | 2009-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of natural killer cell receptor KLRG1 bound to E-cadherin reveals basis for MHC-independent missing self recognition.
Immunity, 31, 2009
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4MI3
 | | Crystal structure of Gpb in complex with SUGAR (N-{(2R)-2-METHYL-3-[4-(PROPAN-2-YL)PHENYL]PROPANOYL}-BETA-D-GLUCOPYRANOSYLAMINE) (S21) | | Descriptor: | Glycogen phosphorylase, muscle form, N-{(2R)-2-methyl-3-[4-(propan-2-yl)phenyl]propanoyl}-beta-D-glucopyranosylamine | | Authors: | Kantsadi, L.A, Chatzileontiadou, S.M.D, Leonidas, D.D. | | Deposit date: | 2013-08-30 | | Release date: | 2014-07-23 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines.
Bioorg.Med.Chem., 22, 2014
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5UBB
 | | Crystal structure of human alpha N-terminal protein methyltransferase 1B | | Descriptor: | Alpha N-terminal protein methyltransferase 1B, S-ADENOSYLMETHIONINE, UNKNOWN ATOM OR ION | | Authors: | Dong, C, Zhu, L, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-12-20 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An asparagine/glycine switch governs product specificity of human N-terminal methyltransferase NTMT2.
Commun Biol, 1, 2018
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7K1O
 | | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-3',5'-Diphosphate | | Descriptor: | 1,2-ETHANEDIOL, 1-(3,5-di-O-phosphono-alpha-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione, Uridylate-specific endoribonuclease | | Authors: | Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Welk, L, Chang, C, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-09-08 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-3',5'-Diphosphate
To Be Published
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8UAS
 | | Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 1a | | Descriptor: | 1-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ... | | Authors: | Wilson, L.A, Guddat, L.W, Schenk, G, Scott, C. | | Deposit date: | 2023-09-22 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Catalysts, 14, 2024
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5KT7
 | | Teranry complex of human DNA polymerase iota(1-445) inserting dCMPNPP opposite template G in the presence of Mn2+ | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(P*AP*GP*GP*AP*CP*CP*C)-3'), DNA (5'-D(P*TP*GP*GP*GP*GP*TP*CP*CP*T)-3'), ... | | Authors: | Choi, J.Y, Patra, A, Yeom, M, Lee, Y.S, Zhang, Q, Egli, M, Guengerich, F.P. | | Deposit date: | 2016-07-11 | | Release date: | 2016-08-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.151 Å) | | Cite: | Kinetic and Structural Impact of Metal Ions and Genetic Variations on Human DNA Polymerase iota.
J.Biol.Chem., 291, 2016
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5MF5
 | | PA3825-EAL Mg-CdG Structure | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Diguanylate phosphodiesterase, MAGNESIUM ION | | Authors: | Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M. | | Deposit date: | 2016-11-17 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
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6SZ6
 | | Chaetomium thermophilum beta-glucosidase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-glucosidase, ... | | Authors: | Mohsin, I, Poudel, N, Papageorgiou, A.C. | | Deposit date: | 2019-10-02 | | Release date: | 2019-12-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.988 Å) | | Cite: | Crystal Structure of a GH3 beta-Glucosidase from the Thermophilic Fungus Chaetomium thermophilum .
Int J Mol Sci, 20, 2019
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6VJ7
 | | Crystal structure of red kidney bean purple acid phosphatase in complex with adenosine 5'-(beta,gamma imido)triphosphate | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Feder, D, Schenk, G, Guddat, L.W, McGeary, R.P, Mitic, N, Furtado, A, Schulz, B.L, Henry, R.J, Schmidt, S. | | Deposit date: | 2020-01-15 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural elements that modulate the substrate specificity of plant purple acid phosphatases: Avenues for improved phosphorus acquisition in crops.
Plant Sci., 294, 2020
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5T1X
 | | Crystal Structure of Native Tarin Lectin | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lectin, ... | | Authors: | Pereira, P.R, Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2016-08-22 | | Release date: | 2016-09-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High-resolution crystal structures of Colocasia esculenta tarin lectin.
Glycobiology, 27, 2017
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6MX3
 | | Crystal structure of human STING (G230A, H232R, R293Q) in complex with Compound 1 | | Descriptor: | (3S,4S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid, CALCIUM ION, Stimulator of interferon genes protein | | Authors: | Lesburg, C.A, Siu, T, Ho, T. | | Deposit date: | 2018-10-30 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.362 Å) | | Cite: | Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING.
ACS Med Chem Lett, 10, 2019
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7NG7
 | | Src kinase bound to eCF506 trapped in inactive conformation | | Descriptor: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate | | Authors: | Lietha, D, Unciti-Broceta, A. | | Deposit date: | 2021-02-08 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A Conformation Selective Mode of Inhibiting SRC Improves Drug Efficacy and Tolerability.
Cancer Res., 81, 2021
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5MG9
 | | Putative Ancestral Mamba toxin 1 (AncTx1-W28R/I38S) | | Descriptor: | 1,2-ETHANEDIOL, AncTx1-W28R/I38S, S-1,2-PROPANEDIOL, ... | | Authors: | Stura, E.A, Tepshi, L, Blanchet, G, Mourier, G, Servent, D. | | Deposit date: | 2016-11-21 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Ancestral protein resurrection and engineering opportunities of the mamba aminergic toxins.
Sci Rep, 7, 2017
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7SKI
 | | Pertussis toxin in complex with PJ34 | | Descriptor: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Pertussis toxin subunit 1 | | Authors: | Littler, D.R, Beddoe, T, Pulliainen, A, Rossjohn, J. | | Deposit date: | 2021-10-20 | | Release date: | 2022-04-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.09912443 Å) | | Cite: | Crystal structures of pertussis toxin with NAD + and analogs provide structural insights into the mechanism of its cytosolic ADP-ribosylation activity.
J.Biol.Chem., 298, 2022
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7K7B
 | | Crystal structure of diphtheria toxin from crystals obtained at pH 5.0 | | Descriptor: | Diphtheria toxin | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rodnin, M.V, Ladokhin, A.S. | | Deposit date: | 2020-09-22 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of the Diphtheria Toxin at Acidic pH: Implications for the Conformational Switching of the Translocation Domain.
Toxins, 12, 2020
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6MXE
 | | Crystal structure of human STING (G230A, H232R, R293Q) in complex with Compound 18 | | Descriptor: | CALCIUM ION, Stimulator of interferon genes protein, [(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid | | Authors: | Lesburg, C.A, Siu, T, Ho, T. | | Deposit date: | 2018-10-30 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING.
ACS Med Chem Lett, 10, 2019
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7V5N
 | | Crystal structure of Fab fragment of bevacizumab bound to DNA aptamer | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*GP*TP*TP*GP*GP*TP*GP*GP*TP*AP*GP*TP*TP*AP*CP*GP*TP*TP*CP*GP*C)-3'), IMIDAZOLE, ... | | Authors: | Hishiki, A, Tong, J, Todoroki, K, Hashimoto, H. | | Deposit date: | 2021-08-17 | | Release date: | 2022-02-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Development of a DNA aptamer that binds to the complementarity-determining region of therapeutic monoclonal antibody and affinity improvement induced by pH-change for sensitive detection.
Biosens.Bioelectron., 203, 2022
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7KA4
 | | Aldolase, rabbit muscle (beam-tilt refinement x4) | | Descriptor: | Fructose-bisphosphate aldolase A | | Authors: | Kearns, S.K, Cash, J.N, Cianfrocco, M.A, Li, Y. | | Deposit date: | 2020-09-29 | | Release date: | 2020-12-02 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | High-resolution cryo-EM using beam-image shift at 200 keV.
Iucrj, 7, 2020
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8RGY
 | | Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa, 8 drops merged | | Descriptor: | Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J. | | Deposit date: | 2023-12-14 | | Release date: | 2023-12-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Efficient in situ screening of and data collection from microcrystals in crystallization plates.
Acta Crystallogr D Struct Biol, 80, 2024
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6CU8
 | | Alpha Synuclein fibril formed by full length protein - Twister Polymorph | | Descriptor: | Alpha-synuclein | | Authors: | Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L. | | Deposit date: | 2018-03-23 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
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8RGS
 | | Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa | | Descriptor: | Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J. | | Deposit date: | 2023-12-14 | | Release date: | 2023-12-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Efficient in situ screening of and data collection from microcrystals in crystallization plates.
Acta Crystallogr D Struct Biol, 80, 2024
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8F6H
 | | Cryo-EM structure of a Zinc-loaded asymmetrical TMD D70A mutant of the YiiP-Fab complex | | Descriptor: | Cadmium and zinc efflux pump FieF, Fab2r heavy chain, Fab2r light chain, ... | | Authors: | Lopez-Redondo, M.L, Hussein, A.K, Stokes, D.L. | | Deposit date: | 2022-11-16 | | Release date: | 2023-02-08 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Energy coupling and stoichiometry of Zn 2+ /H + antiport by the prokaryotic cation diffusion facilitator YiiP.
Elife, 12, 2023
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8RGW
 | | Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa, 12 drops merged | | Descriptor: | Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J. | | Deposit date: | 2023-12-14 | | Release date: | 2023-12-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Efficient in situ screening of and data collection from microcrystals in crystallization plates.
Acta Crystallogr D Struct Biol, 80, 2024
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8R79
 | | The D2 domain of human DTX3L | | Descriptor: | E3 ubiquitin-protein ligase DTX3L, SULFATE ION | | Authors: | Vela-Rodriguez, C, Lehtio, L, Maksimainen, M, Duman, R, Wagner, A, Glumoff, T. | | Deposit date: | 2023-11-24 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Oligomerisation mediated by the D2 domain of DTX3L is critical for DTX3L-PARP9 reading function of mono-ADP-ribosylated androgen receptor.
Biorxiv, 2023
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