6M71
 
 | | SARS-Cov-2 RNA-dependent RNA polymerase in complex with cofactors | | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase | | Authors: | Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z. | | Deposit date: | 2020-03-16 | | Release date: | 2020-04-01 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure of the RNA-dependent RNA polymerase from COVID-19 virus.
Science, 368, 2020
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7EAT
 | | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 1 | | Descriptor: | 1,3-dihydro-2H-indol-2-one, SULFATE ION, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, ... | | Authors: | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | Deposit date: | 2021-03-08 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EBG
 | | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 7 | | Descriptor: | 3,3-dimethyl-7-(methylamino)-1H-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | Deposit date: | 2021-03-09 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EBB
 | | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 2 | | Descriptor: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | Deposit date: | 2021-03-09 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EA0
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 1 | | Descriptor: | 1,3-dihydro-2H-indol-2-one, ACETATE ION, CHLORIDE ION, ... | | Authors: | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | Deposit date: | 2021-03-05 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EBH
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 13 | | Descriptor: | 5-bromanyl-2-methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine, ACETATE ION, CHLORIDE ION, ... | | Authors: | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | Deposit date: | 2021-03-09 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EAS
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 2 | | Descriptor: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, ACETATE ION, CHLORIDE ION, ... | | Authors: | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | Deposit date: | 2021-03-08 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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4KNB
 | | C-Met in complex with OSI ligand | | Descriptor: | 7-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor | | Authors: | Wang, J, Steinig, A.G, Li, A.H, Chen, X, Dong, H, Ferraro, C, Jin, M, Kadalbajoo, M, Kleinberg, A, Stolz, K.M, Tavares-Greco, P.A, Wang, T, Albertella, M.R, Peng, Y, Crew, L, Kahler, J. | | Deposit date: | 2013-05-09 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases.
Bioorg.Med.Chem.Lett., 23, 2013
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8AGQ
 | | Crystal structure of anthocyanin-related GSTF8 from Populus trichocarpa in complex with (-)-catechin and glutathione | | Descriptor: | (2~{S},3~{R})-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2~{H}-chromene-3,5,7-triol, GLUTATHIONE, Glutathione transferase, ... | | Authors: | Eichenberger, M, Hueppi, S, Schwander, T, Mittl, P, Buller, M.R. | | Deposit date: | 2022-07-20 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.093 Å) | | Cite: | The catalytic role of glutathione transferases in heterologous anthocyanin biosynthesis.
Nat Catal, 6, 2023
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4XX5
 | | Structure of PI3K gamma in complex with an inhibitor | | Descriptor: | N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M. | | Deposit date: | 2015-01-29 | | Release date: | 2015-08-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structure of PI3K gamma in complex with an inhibitor
To Be Published
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4XZ4
 | | Structure of PI3K gamma in complex with an inhibitor | | Descriptor: | N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M. | | Deposit date: | 2015-02-03 | | Release date: | 2016-02-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of PI3K gamma in complex with an inhibitor
To Be Published
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5GS4
 | | Crystal structure of estrogen receptor alpha in complex with a stabilized peptide antagonist | | Descriptor: | ARG-IAS-ILE-LEU-DNP-ARG-LEU-LEU-GLN, ESTRADIOL, Estrogen receptor, ... | | Authors: | Xie, M, Wang, T, Li, Z.-G. | | Deposit date: | 2016-08-13 | | Release date: | 2017-08-30 | | Last modified: | 2018-07-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of Inhibition of ER alpha-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides
J. Med. Chem., 60, 2017
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5GTR
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7BTF
 | | SARS-CoV-2 RNA-dependent RNA polymerase in complex with cofactors in reduced condition | | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ... | | Authors: | Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z. | | Deposit date: | 2020-04-01 | | Release date: | 2020-04-08 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structure of the RNA-dependent RNA polymerase from COVID-19 virus.
Science, 368, 2020
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7MEY
 | | Structure of yeast Ubr1 in complex with Ubc2 and monoubiquitinated N-degron | | Descriptor: | 2-(ethylamino)ethane-1-thiol, E3 ubiquitin-protein ligase UBR1, Monoubiquitinated N-degron, ... | | Authors: | Pan, M, Zheng, Q, Wang, T, Liang, L, Yu, Y, Liu, L, Zhao, M. | | Deposit date: | 2021-04-08 | | Release date: | 2021-11-24 | | Last modified: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (3.67 Å) | | Cite: | Structural insights into Ubr1-mediated N-degron polyubiquitination.
Nature, 600, 2021
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7MEX
 | | Structure of yeast Ubr1 in complex with Ubc2 and N-degron | | Descriptor: | E3 ubiquitin-protein ligase UBR1, N-degron, Ubiquitin, ... | | Authors: | Pan, M, Zheng, Q, Wang, T, Liang, L, Yu, Y, Liu, L, Zhao, M. | | Deposit date: | 2021-04-08 | | Release date: | 2021-11-24 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Structural insights into Ubr1-mediated N-degron polyubiquitination.
Nature, 600, 2021
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4DHI
 | | Structure of C. elegans OTUB1 bound to human UBC13 | | Descriptor: | Ubiquitin thioesterase otubain-like, Ubiquitin-conjugating enzyme E2 N | | Authors: | Wiener, R, Zhang, X, Wang, T, Wolberger, C. | | Deposit date: | 2012-01-27 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The mechanism of OTUB1-mediated inhibition of ubiquitination.
Nature, 483, 2012
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2KI5
 | | HERPES SIMPLEX TYPE-1 THYMIDINE KINASE IN COMPLEX WITH THE DRUG ACICLOVIR AT 1.9A RESOLUTION | | Descriptor: | 9-HYROXYETHOXYMETHYLGUANINE, PROTEIN (THYMIDINE KINASE), SULFATE ION | | Authors: | Bennett, M.S, Wien, F, Champness, J.N, Batuwangala, T, Rutherford, T, Summers, W.C, Sun, H, Wright, G, Sanderson, M.R. | | Deposit date: | 1999-02-12 | | Release date: | 1999-03-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir.
FEBS Lett., 443, 1999
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4J4R
 | | Hexameric SFTSVN | | Descriptor: | Nucleocapsid protein | | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | | Deposit date: | 2013-02-07 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential
J.Virol., 87, 2013
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4J4V
 | | Pentameric SFTSVN with suramin | | Descriptor: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Nucleocapsid protein | | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | | Deposit date: | 2013-02-07 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential
J.Virol., 87, 2013
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4J4S
 | | Triple mutant SFTAVN | | Descriptor: | Nucleocapsid protein, SODIUM ION | | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | | Deposit date: | 2013-02-07 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.442 Å) | | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential
J.Virol., 87, 2013
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4J4X
 | | Crystal structure of GraVN | | Descriptor: | NP protein | | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | | Deposit date: | 2013-02-07 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential
J.Virol., 87, 2013
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4J4W
 | | Crystal structure of BueVN | | Descriptor: | Nucleocapsid | | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | | Deposit date: | 2013-02-07 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.661 Å) | | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential
J.Virol., 87, 2013
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4J4Y
 | | Triple mutant GraVN | | Descriptor: | NP protein | | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | | Deposit date: | 2013-02-07 | | Release date: | 2013-06-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential
J.Virol., 87, 2013
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4J4U
 | | Pentamer SFTSVN | | Descriptor: | Nucleocapsid protein | | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | | Deposit date: | 2013-02-07 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.803 Å) | | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential
J.Virol., 87, 2013
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