7EX2
 
 | | Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with L-742,001 (methyl ester form) | | Descriptor: | MANGANESE (II) ION, Replicase, methyl (Z)-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate | | Authors: | Kuang, W, Hu, Z, Gong, P. | | Deposit date: | 2021-05-26 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
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7EX7
 | | Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 16 | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Replicase, ... | | Authors: | Kuang, W, Hu, Z, Gong, P. | | Deposit date: | 2021-05-26 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
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7EX3
 | | Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 3 | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Replicase, ... | | Authors: | Kuang, W, Hu, Z, Gong, P. | | Deposit date: | 2021-05-26 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
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7EX4
 | | Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 5 | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Replicase, ... | | Authors: | Kuang, W, Hu, Z, Gong, P. | | Deposit date: | 2021-05-26 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
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3ATL
 | | Crystal structure of trypsin complexed with benzamidine | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Tanaka, I. | | Deposit date: | 2011-01-05 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3DA6
 | | Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine | | Descriptor: | Mitogen-activated protein kinase 10, N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine | | Authors: | Cee, V.J, Cheng, A.C, Romero, K, Bellon, S, Mohr, C, Whittington, D.A, Bready, J, Caenepeel, S, Coxon, A, Deak, H.L, Hodous, B.L, Kim, J.L, Lin, J, Nguyen, H, Olivieri, P.R, Patel, V.F, Wang, L, Hughes, P, Geuns-Meyer, S. | | Deposit date: | 2008-05-28 | | Release date: | 2009-01-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase
Bioorg.Med.Chem.Lett., 19, 2009
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8KHU
 | | Hepatitis B virus core protein Y132A mutant in complex with THPP derivatives 48 | | Descriptor: | (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide, Capsid protein, GLYCEROL, ... | | Authors: | Zhou, Z, Xu, Z.H. | | Deposit date: | 2023-08-22 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of 4,5,6,7-Tetrahydropyrazolo[1.5-a]pyrizine Derivatives as Core Protein Allosteric Modulators (CpAMs) for the Inhibition of Hepatitis B Virus.
J.Med.Chem., 66, 2023
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5YHQ
 | | Cryo-EM Structure of CVA6 VLP | | Descriptor: | Capsid protein VP1, Capsid protein VP3, capsid protein VP0 | | Authors: | Chen, J, Zhang, C, Huang, Z, Cong, Y. | | Deposit date: | 2017-09-29 | | Release date: | 2017-10-25 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | A 3.0-Angstrom Resolution Cryo-Electron Microscopy Structure and Antigenic Sites of Coxsackievirus A6-Like Particles.
J. Virol., 92, 2018
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5UR9
 | | Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 | | Descriptor: | (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid, Fatty acid-binding protein, epidermal, ... | | Authors: | Hsu, H.-C, Li, H. | | Deposit date: | 2017-02-09 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.19800353 Å) | | Cite: | The Antinociceptive Agent SBFI-26 Binds to Anandamide Transporters FABP5 and FABP7 at Two Different Sites.
Biochemistry, 56, 2017
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3ATK
 | | Crystal structure of trypsin complexed with cycloheptanamine | | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | | Authors: | Yamane, J, Yao, M, Tanaka, I. | | Deposit date: | 2011-01-05 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3ATI
 | | Crystal structure of trypsin complexed with (3-methoxyphenyl)methanamine | | Descriptor: | 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Tanaka, I. | | Deposit date: | 2011-01-05 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3ATM
 | | Crystal structure of trypsin complexed with 2-(1H-indol-3-yl)ethanamine | | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Tanaka, I. | | Deposit date: | 2011-01-05 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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5W07
 | | CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333. | | Descriptor: | (~{N}~{E})-~{N}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$l^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine, Enoyl-[acyl-carrier-protein] reductase [NADH] | | Authors: | Abendroth, J, Edwards, T.E, Lorimer, D. | | Deposit date: | 2017-05-30 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of a cofactor-independent inhibitor of Mycobacterium tuberculosis InhA
To Be Published
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5Z8O
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4YES
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5WTD
 | | Structure of human serum transferrin bound ruthenium at N-lobe | | Descriptor: | FE (III) ION, MALONATE ION, RUTHENIUM ION, ... | | Authors: | Sun, H, Wang, M, Lai, T.P, Zhang, H, Hao, Q. | | Deposit date: | 2016-12-11 | | Release date: | 2017-12-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Binding of ruthenium and osmium at non‐iron sites of transferrin accounts for their iron-independent cellular uptake.
J.Inorg.Biochem., 234, 2022
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7LIN
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7LIO
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7LIQ
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7LIP
 | | X-ray structure of SPOP MATH domain (D140G) | | Descriptor: | SULFATE ION, Speckle-type POZ protein | | Authors: | Botuyan, M.V, Cui, G, Mer, G. | | Deposit date: | 2021-01-27 | | Release date: | 2021-04-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | ATM-phosphorylated SPOP contributes to 53BP1 exclusion from chromatin during DNA replication.
Sci Adv, 7, 2021
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3EFW
 | | Structure of AuroraA with pyridyl-pyrimidine urea inhibitor | | Descriptor: | 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea, SULFATE ION, Serine/threonine-protein kinase 6 | | Authors: | Bellon, S.F, Cee, V, Hughes, P, Geuns-Meyer, S, Whittington, D. | | Deposit date: | 2008-09-10 | | Release date: | 2008-12-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
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5URA
 | | Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP7 | | Descriptor: | (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid, Fatty acid-binding protein, brain, ... | | Authors: | Hsu, H.-C, Li, H. | | Deposit date: | 2017-02-09 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85002172 Å) | | Cite: | The Antinociceptive Agent SBFI-26 Binds to Anandamide Transporters FABP5 and FABP7 at Two Different Sites.
Biochemistry, 56, 2017
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5Y0V
 | | Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with berberine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BERBERINE, ... | | Authors: | Duan, Y.W, Liu, T, Tang, J.Y, Li, M, Yang, Q. | | Deposit date: | 2017-07-18 | | Release date: | 2018-01-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.423 Å) | | Cite: | Glycoside hydrolase family 18 and 20 enzymes are novel targets of the traditional medicine berberine.
J. Biol. Chem., 293, 2018
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6JME
 | | Crystal structure of human DHODH in complex with inhibitor 0946 | | Descriptor: | 3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Yu, Y, Chen, Q. | | Deposit date: | 2019-03-08 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
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2JXW
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