7B83
 
 | | Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc | | Descriptor: | 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ... | | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2020-12-12 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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7AQE
 | | Structure of SARS-CoV-2 Main Protease bound to UNC-2327 | | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Guenther, S, Reinke, P, Meents, A. | | Deposit date: | 2020-10-21 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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7YC9
 | | Co-crystal structure of BTK kinase domain with inhibitor | | Descriptor: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK | | Authors: | Zhou, X. | | Deposit date: | 2022-07-01 | | Release date: | 2023-05-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
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5YSX
 | | Structure of P domain of GII.2 Noroviruses | | Descriptor: | VP1 | | Authors: | Duan, Z, Ao, Y. | | Deposit date: | 2017-11-16 | | Release date: | 2018-08-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.202 Å) | | Cite: | Genetic Analysis of Reemerging GII.P16-GII.2 Noroviruses in 2016-2017 in China.
J. Infect. Dis., 218, 2018
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7EMN
 | | The atomic structure of SHP2 E76A mutant | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Luo, F, Xie, J.J, Zhu, J.D, Liu, C. | | Deposit date: | 2021-04-14 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A novel partially open state of SHP2 points to a "multiple gear" regulation mechanism.
J.Biol.Chem., 296, 2021
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5Y2F
 | | Human SIRT6 in complex with allosteric activator MDL-801 | | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, 9-mer peptide QTARKSTGG, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zhang, J, Huang, Z, Song, K. | | Deposit date: | 2017-07-25 | | Release date: | 2018-11-07 | | Last modified: | 2018-11-28 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Identification of a cellularly active SIRT6 allosteric activator.
Nat. Chem. Biol., 14, 2018
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8XKG
 | | Crystal structure of Acinetobacter baumannii IspD | | Descriptor: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, GLYCEROL | | Authors: | Chen, X, Wu, D. | | Deposit date: | 2023-12-23 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
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8XHU
 | | Crystal structure of Helicobacter pylori IspDF | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional enzyme IspD/IspF, CHLORIDE ION, ... | | Authors: | Chen, X, Wu, D. | | Deposit date: | 2023-12-18 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
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8XKF
 | | Crystal structure of Helicobacter pylori IspDF with substrate CTP | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional enzyme IspD/IspF, CHLORIDE ION, ... | | Authors: | Chen, X, Wu, D. | | Deposit date: | 2023-12-23 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
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3BYV
 | | Crystal structure of Toxoplasma gondii specific rhoptry antigen kinase domain | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Rhoptry kinase | | Authors: | Wernimont, A.K, Lunin, V.V, Yang, C, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Sibley, D, Qiu, W, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-01-16 | | Release date: | 2008-01-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Novel structural and regulatory features of rhoptry secretory kinases in Toxoplasma gondii.
Embo J., 28, 2009
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8JCC
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8JCD
 | | Human H2BFWTH100R nucleosome with 601 DNA | | Descriptor: | DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type W-T, ... | | Authors: | Ding, D.B, Ishibashi, T, Nguyen, T.T. | | Deposit date: | 2023-05-11 | | Release date: | 2024-05-15 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Testis-specific H2B.W1 disrupts nucleosome integrity by reducing DNA-histone interactions.
Nucleic Acids Res., 2024
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8JBX
 | | Human canonical 601 DNA nucleosome | | Descriptor: | DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-C/E/F/G/I, ... | | Authors: | Ding, D.B, Ishibashi, T, Nguyen, T.T. | | Deposit date: | 2023-05-09 | | Release date: | 2024-05-15 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Testis-specific H2B.W1 disrupts nucleosome integrity by reducing DNA-histone interactions.
Nucleic Acids Res., 2024
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3LCT
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3L9P
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3LAF
 | | Structure of DCC, a netrin-1 receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Deleted in Colorectal Cancer, SULFATE ION, ... | | Authors: | Chen, Q, Liu, J.-H, Wang, J.-H. | | Deposit date: | 2010-01-06 | | Release date: | 2011-03-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | N-terminal horseshoe conformation of DCC is functionally required for axon guidance and might be shared by other neural receptors.
J.Cell.Sci., 126, 2013
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3LCS
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8H6T
 | | Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor | | Descriptor: | (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Ren, X. | | Deposit date: | 2022-10-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
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8H6P
 | | Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor | | Descriptor: | (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Ren, X. | | Deposit date: | 2022-10-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
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8H1L
 | | Crystal structure of glucose-2-epimerase in complex with D-Glucitol from Runella slithyformis Runsl_4512 | | Descriptor: | N-acylglucosamine 2-epimerase, sorbitol | | Authors: | Wang, H, Sun, X.M, Saburi, W, Yu, J, Yao, M. | | Deposit date: | 2022-10-03 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structural insights into the substrate specificity and activity of a novel mannose 2-epimerase from Runella slithyformis.
Acta Crystallogr D Struct Biol, 79, 2023
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8H1K
 | | Crystal structure of glucose-2-epimerase from Runella slithyformis Runsl_4512 | | Descriptor: | FORMIC ACID, GLYCEROL, N-acylglucosamine 2-epimerase | | Authors: | Wang, H, Sun, X.M, Saburi, W, Yu, J, Yao, M. | | Deposit date: | 2022-10-03 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural insights into the substrate specificity and activity of a novel mannose 2-epimerase from Runella slithyformis.
Acta Crystallogr D Struct Biol, 79, 2023
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8H1M
 | | Crystal structure of glucose-2-epimerase mutant_D254A from Runella slithyformis Runsl_4512 | | Descriptor: | FORMIC ACID, N-acylglucosamine 2-epimerase | | Authors: | Wang, H, Sun, X.M, Saburi, W, Yu, J, Yao, M. | | Deposit date: | 2022-10-03 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural insights into the substrate specificity and activity of a novel mannose 2-epimerase from Runella slithyformis.
Acta Crystallogr D Struct Biol, 79, 2023
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8H1N
 | | Crystal structure of glucose-2-epimerase mutant_D254A in complex with D-Glucitol from Runella slithyformis Runsl_4512 | | Descriptor: | FORMIC ACID, N-acylglucosamine 2-epimerase, sorbitol | | Authors: | Wang, H, Sun, X.M, Saburi, W, Yu, J, Yao, M. | | Deposit date: | 2022-10-03 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Structural insights into the substrate specificity and activity of a novel mannose 2-epimerase from Runella slithyformis.
Acta Crystallogr D Struct Biol, 79, 2023
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4MJI
 | | T cell response to a HIV reverse transcriptase epitope presented by the protective allele HLA-B*51:01 | | Descriptor: | Beta-2-microglobulin, HIV Reverse Transcriptase peptide Marker, HLA class I histocompatibility antigen, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Sewell, A.K, Motozono, C, Takiguchi, M. | | Deposit date: | 2013-09-03 | | Release date: | 2014-05-28 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Molecular basis of a dominant T cell response to an HIV reverse transcriptase 8-mer epitope presented by the protective allele HLA-B*51:01
J.Immunol., 192, 2014
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6K41
 | | cryo-EM structure of alpha2BAR-GoA complex | | Descriptor: | 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Alpha-2A adrenergic receptor,Endolysin,Alpha-2B adrenergic receptor,Alpha-2B adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Yuan, D, Liu, Z, Wang, H.W, Kobilka, B.K. | | Deposit date: | 2019-05-23 | | Release date: | 2020-04-15 | | Last modified: | 2020-05-13 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Activation of the alpha2Badrenoceptor by the sedative sympatholytic dexmedetomidine.
Nat.Chem.Biol., 16, 2020
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