7ZUR
| Four carbons pendant pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder | Descriptor: | 16,17-dimethoxy-21-(4-pyridin-4-ylbutyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaene, DNA TAGGGTTAGGGT, POTASSIUM ION | Authors: | Bazzicalupi, C, Ferraroni, M, Gratteri, P, Papi, F. | Deposit date: | 2022-05-13 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis. Int J Mol Sci, 23, 2022
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7ZV8
| Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 58 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, OCTANOIC ACID (CAPRYLIC ACID), ... | Authors: | Rahimova, R, Di Micco, S, Marquez, J.A. | Deposit date: | 2022-05-13 | Release date: | 2022-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.937 Å) | Cite: | Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2. Eur.J.Med.Chem., 244, 2022
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6XO2
| Structural Characterization of Beta Cyanoalanine Synthase from Tetranychus Urticae (two-spotted spider mite) | Descriptor: | ACETATE ION, Beta-cyanoalanine synthase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Daneshian, L, Schlachter, C, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M. | Deposit date: | 2020-07-06 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and functional characterization of beta-cyanoalanine synthase from Tetranychus urticae. Insect Biochem.Mol.Biol., 142, 2022
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7Q1L
| Glycosilated Human Serum Apo-tranferrin | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Gavira, J.A, Moreno, A, Campos-Escamilla, C, Gonzalez-Ramirez, L.A, Siliqi, D. | Deposit date: | 2021-10-20 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | X-ray Characterization of Conformational Changes of Human Apo- and Holo-Transferrin. Int J Mol Sci, 22, 2021
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5XLS
| Crystal structure of UraA in occluded conformation | Descriptor: | 12-TUNGSTOPHOSPHATE, URACIL, Uracil permease | Authors: | Yu, X.Z, Yang, G.H, Yan, C.Y, Yan, N. | Deposit date: | 2017-05-11 | Release date: | 2017-07-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Dimeric structure of the uracil:proton symporter UraA provides mechanistic insights into the SLC4/23/26 transporters Cell Res., 27, 2017
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7ZX4
| Clathrin N-terminal domain in complex with a HURP phospho-peptide | Descriptor: | CHLORIDE ION, Clathrin heavy chain 1, Disks large-associated protein 5, ... | Authors: | Kliche, J, Badgujar, D, Dobritzsch, D, Ivarsson, Y. | Deposit date: | 2022-05-20 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Large-scale phosphomimetic screening identifies phospho-modulated motif-based protein interactions. Mol.Syst.Biol., 19, 2023
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7Q3V
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7ZNZ
| Crystal structure of unliganded form of FucOB, a GH95 family alpha-1,2-fucosidase from Akkermansia muciniphila | Descriptor: | FucOB, a GH95 family alpha-1,2-fucosidase, GLYCEROL | Authors: | Anso, I, Cifuente, J.O, Trastoy, B, Guerin, M.E. | Deposit date: | 2022-04-23 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Turning universal O into rare Bombay type blood. Nat Commun, 14, 2023
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7ZJJ
| CspZ (BbCRASP-2) from Borrelia burgdorferi strain B379 | Descriptor: | CspZ, NITRATE ION | Authors: | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | Deposit date: | 2022-04-11 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural evolution of an immune evasion determinant shapes pathogen host tropism. Proc.Natl.Acad.Sci.USA, 120, 2023
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7ZJM
| Crystal structure of a complex between CspZ from Borrelia burgdorferi strain B408 and human FH SCR domains 6-7 | Descriptor: | Complement factor H, CspZ, DI(HYDROXYETHYL)ETHER, ... | Authors: | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | Deposit date: | 2022-04-11 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structural evolution of an immune evasion determinant shapes pathogen host tropism. Proc.Natl.Acad.Sci.USA, 120, 2023
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7ZJK
| CspZ (BbCRASP-2) from Borrelia burgdorferi strain B408 | Descriptor: | CspZ | Authors: | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | Deposit date: | 2022-04-11 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural evolution of an immune evasion determinant shapes pathogen host tropism. Proc.Natl.Acad.Sci.USA, 120, 2023
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7ZO0
| Crystal structure of catalytic inactive unliganded form of FucOB, a GH95 family alpha-1,2-fucosidase from Akkermansia muciniphila | Descriptor: | GH95 family alpha-1,2-fucosidase, GLYCEROL | Authors: | Anso, I, Cifuente, J.O, Trastoy, B, Guerin, M.E. | Deposit date: | 2022-04-23 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Turning universal O into rare Bombay type blood. Nat Commun, 14, 2023
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5XPW
| Structure of amphioxus IgVJ-C2 molecule | Descriptor: | amphioxus IgVJ-C2 | Authors: | Chen, R, Qi, J, Zhang, N, Zhang, L, Yao, S, Wu, Y, Jiang, B, Wang, Z, Yuan, H, Zhang, Q, Xia, C. | Deposit date: | 2017-06-05 | Release date: | 2018-04-18 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Discovery and Analysis of Invertebrate IgVJ-C2 Structure from Amphioxus Provides Insight into the Evolution of the Ig Superfamily. J. Immunol., 200, 2018
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7PNP
| Human Angiogenin mutant-S28A | Descriptor: | Angiogenin | Authors: | Papaioannou, O.S.E, Leonidas, D.D. | Deposit date: | 2021-09-07 | Release date: | 2022-05-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Biochemical Characterization of the Human Angiogenin-Proliferating Cell Nuclear Antigen Interaction. Biochemistry, 2023
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7PWL
| PARP15 catalytic domain in complex with OUL218 | Descriptor: | 4-(1,3-thiazol-5-ylmethoxy)benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Murthy, S, Lehtio, L. | Deposit date: | 2021-10-07 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 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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7PWS
| PARP15 catalytic domain in complex with OUL255 | Descriptor: | 6-(cyclobutylmethoxy)phthalazine-1,4-dione, 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 (1.8 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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7PWC
| PARP15 catalytic domain in complex with OUL238 | Descriptor: | 4-(cyclobutylmethoxy)benzamide, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2021-10-06 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 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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7PWR
| PARP15 catalytic domain in complex with OUL254 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(cyclopentylmethoxy)phthalazine-1,4-dione, 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 (1.6 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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7PX6
| PARP15 catalytic domain in complex with OUL241 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-[(2-fluorophenyl)methoxy]phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2021-10-08 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 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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7PWA
| PARP15 catalytic domain in complex with OUL237 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(cyclopentylmethoxy)benzamide, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2021-10-06 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 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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7PWU
| PARP15 catalytic domain in complex with OUL256 | Descriptor: | 6-(cyclopropylmethoxy)phthalazine-1,4-dione, 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 (1.9 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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7PW3
| PARP15 catalytic domain in complex with OUL217 | Descriptor: | 4-(cyclohexylmethoxy)benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Murthy, S, Lehtio, L. | Deposit date: | 2021-10-06 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 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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7PWP
| PARP15 catalytic domain in complex with OUL221 | Descriptor: | 4-[(3-bromophenyl)methoxy]-2-methoxy-benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Murthy, S, Nizi, M.G, Lehtio, L. | Deposit date: | 2021-10-07 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 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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7PLF
| Human Carbonic Anhydrase I in complex with clorsulon | Descriptor: | 4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide, Carbonic anhydrase 1, ZINC ION | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2021-08-31 | Release date: | 2022-09-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.461 Å) | Cite: | Inhibition of Schistosoma mansoni carbonic anhydrase by the antiparasitic drug clorsulon: X-ray crystallographic and in vitro studies. Acta Crystallogr D Struct Biol, 78, 2022
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7PG5
| Crystal Structure of PI3Kalpha | Descriptor: | GLYCEROL, PHOSPHATE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B. | Deposit date: | 2021-08-13 | Release date: | 2022-08-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.20029068 Å) | Cite: | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration. Nature, 618, 2023
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