4LWF
| Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ3 | Descriptor: | 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | Authors: | Li, J, Shi, F, Xiong, B, He, J. | Deposit date: | 2013-07-27 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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4ONC
| Crystal Structure of Mycobacterium Tuberculosis Decaprenyl Diphosphate Synthase in Complex with BPH-640 | Descriptor: | Decaprenyl diphosphate synthase, [hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid) | Authors: | Feng, X, Chan, H.C, Ko, T.P. | Deposit date: | 2014-01-28 | Release date: | 2014-04-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structure and Inhibition of Tuberculosinol Synthase and Decaprenyl Diphosphate Synthase from Mycobacterium tuberculosis J.Am.Chem.Soc., 136, 2014
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4NG2
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5T0F
| Crystal structure of the Myc3 N-terminal domain [44-242] in complex with JAZ10 CMID domain [16-58] from arabidopsis | Descriptor: | Protein TIFY 9, Transcription factor MYC3 | Authors: | Ke, J, Zhang, F, Brunzelle, J.S, He, S.Y, Xu, H.E, Melcher, K. | Deposit date: | 2016-08-16 | Release date: | 2017-01-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into alternative splicing-mediated desensitization of jasmonate signaling. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4GHI
| Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a benzoxadiazole antagonist | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine | Authors: | Scheuermann, T.H, Key, J, Tambar, U.K, Bruick, R.K, Gardner, K.H. | Deposit date: | 2012-08-07 | Release date: | 2013-02-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Allosteric inhibition of hypoxia inducible factor-2 with small molecules. Nat.Chem.Biol., 9, 2013
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5T0Q
| Crystal structure of the Myc3 N-terminal domain [44-242] in complex with JAZ10 Jas domain [166-192] from arabidopsis | Descriptor: | Protein TIFY 9, Transcription factor MYC3 | Authors: | Ke, J, Zhang, F, Brunzelle, J.S, He, S.Y, Xu, H.E, Melcher, K. | Deposit date: | 2016-08-16 | Release date: | 2017-01-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural insights into alternative splicing-mediated desensitization of jasmonate signaling. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8HJD
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8HJC
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4J52
| Crystal structure of PLK1 in complex with a pyrimidodiazepinone inhibitor | Descriptor: | 4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | Authors: | Hosfield, D.J, Skene, R.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1). Bioorg.Med.Chem.Lett., 23, 2013
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4J53
| Crystal structure of PLK1 in complex with TAK-960 | Descriptor: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | Authors: | Hosfield, D.J, Skene, R.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1). Bioorg.Med.Chem.Lett., 23, 2013
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4IGH
| High resolution crystal structure of human dihydroorotate dehydrogenase bound with 4-quinoline carboxylic acid analog | Descriptor: | 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, 6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Deng, X, Das, P, Fontoura, B.M.A, Phillips, M.A, De Brabander, J.K. | Deposit date: | 2012-12-17 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | SAR Based Optimization of a 4-Quinoline Carboxylic Acid Analog with Potent Anti-Viral Activity. ACS MED.CHEM.LETT., 4, 2013
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8Z0L
| Cryo-EM structure of Cas8-HNH system at partial R-loop state | Descriptor: | DNA (32-MER), DNA (5'-D(P*GP*TP*GP*CP*GP*GP*A)-3'), HNH endonuclease, ... | Authors: | Zhang, H, Zhu, H, Li, X, Liu, Y. | Deposit date: | 2024-04-09 | Release date: | 2024-10-02 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | Structural basis for the type I-F Cas8-HNH system. Embo J., 2024
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8ZDY
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8Z0K
| Cryo-EM structure of Cas8-HNH system at full R-loop state | Descriptor: | DNA (37-MER), DNA (5'-D(P*GP*TP*GP*CP*GP*GP*A)-3'), HNH endonuclease, ... | Authors: | Zhang, H, Zhu, H, Li, X, Liu, Y. | Deposit date: | 2024-04-09 | Release date: | 2024-10-02 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Structural basis for the type I-F Cas8-HNH system. Embo J., 2024
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8ZNR
| Cryo-EM structure of Cas8-HNH system at ssDNA-bound state | Descriptor: | DNA (35-MER), RNA (56-MER), protein structure | Authors: | Zhang, H, Zhu, H, Li, X, Liu, Y. | Deposit date: | 2024-05-28 | Release date: | 2024-10-02 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis for the type I-F Cas8-HNH system. Embo J., 2024
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1CF5
| BETA-MOMORCHARIN STRUCTURE AT 2.55 A | Descriptor: | PROTEIN (BETA-MOMORCHARIN), beta-D-xylopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yuan, Y.-R, He, Y.-N, Xiong, J.-P, Xia, Z.-X. | Deposit date: | 1999-03-24 | Release date: | 1999-06-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Three-dimensional structure of beta-momorcharin at 2.55 A resolution. Acta Crystallogr.,Sect.D, 55, 1999
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8IH4
| Crystal Structure of Intracellular B30.2 Domain of BTN2A2 Mutant | Descriptor: | Butyrophilin subfamily 2 member A2 | Authors: | Yang, Y.Y, Yi, S.M, Zhang, M.T, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2023-02-22 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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7VJN
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7VJM
| Aca1 in complex with 19bp palindromic DNA substrate | Descriptor: | DNA (5'-D(*AP*TP*TP*AP*GP*GP*CP*AP*CP*AP*TP*TP*GP*TP*GP*CP*CP*TP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*AP*GP*GP*CP*AP*CP*AP*AP*TP*GP*TP*GP*CP*CP*TP*AP*A)-3'), anti-CRISPR-associated protein Aca1 | Authors: | Liu, Y.H, Zhang, L.S, Wu, B.X, Huang, H.D. | Deposit date: | 2021-09-28 | Release date: | 2021-10-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for anti-CRISPR repression mediated by bacterial operon proteins Aca1 and Aca2. J.Biol.Chem., 297, 2021
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7VJQ
| Pectobacterium phage ZF40 apo-aca2 complexed with 26bp DNA substrate | Descriptor: | CHLORIDE ION, DNA (27-MER), GLYCEROL, ... | Authors: | Liu, Y.H, Zhang, L.S, Wu, B.X, Huang, H.D. | Deposit date: | 2021-09-28 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural basis for anti-CRISPR repression mediated by bacterial operon proteins Aca1 and Aca2. J.Biol.Chem., 297, 2021
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7VJO
| Pectobacterium phage ZF40 apo-Aca2 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, anti-CRISPR-associated protein Aca2 | Authors: | Liu, Y.H, Zhang, L.S, Wu, B.X, Huang, H.D. | Deposit date: | 2021-09-28 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structural basis for anti-CRISPR repression mediated by bacterial operon proteins Aca1 and Aca2. J.Biol.Chem., 297, 2021
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7VJP
| Selenomethionine-derived Pectobacterium phage ZF40 apo-Aca2 | Descriptor: | SULFATE ION, anti-CRISPR-associated protein Aca2 | Authors: | Liu, Y.H, Zhang, L.S, Wu, B.X, Huang, H.D. | Deposit date: | 2021-09-28 | Release date: | 2021-10-20 | Last modified: | 2022-02-02 | Method: | X-RAY DIFFRACTION (1.594 Å) | Cite: | Structural basis for anti-CRISPR repression mediated by bacterial operon proteins Aca1 and Aca2. J.Biol.Chem., 297, 2021
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6J11
| MERS-CoV spike N-terminal domain and 7D10 scFv complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-terminal domain of Spike glycoprotein, ... | Authors: | Zhou, H, Zhang, S, Zhang, S, Tang, W, Wang, X. | Deposit date: | 2018-12-27 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural definition of a neutralization epitope on the N-terminal domain of MERS-CoV spike glycoprotein. Nat Commun, 10, 2019
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6LCG
| Structure of D-carbamoylase mutant from Nitratireductor indicus | Descriptor: | DI(HYDROXYETHYL)ETHER, N-carbamoyl-D-amino-acid hydrolase | Authors: | Liu, Y.F, Ni, Y, Xu, G.C, Dai, W. | Deposit date: | 2019-11-18 | Release date: | 2020-10-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel Acs Catalysis, 10, 2020
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6U0S
| Crystal structure of the flavin-dependent monooxygenase PieE in complex with FAD and substrate | Descriptor: | 2,4-dichlorophenol 6-monooxygenase, 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol, CHLORIDE ION, ... | Authors: | Shi, R, Manenda, M. | Deposit date: | 2019-08-14 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structural analyses of the Group A flavin-dependent monooxygenase PieE reveal a sliding FAD cofactor conformation bridging OUT and IN conformations. J.Biol.Chem., 295, 2020
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