4XS3
 
 | | Crystal structure of a metabolic reductase with (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one | | Descriptor: | (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y. | | Deposit date: | 2015-01-21 | | Release date: | 2016-07-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.291 Å) | | Cite: | Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
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4XRX
 | | Crystal structure of a metabolic reductase with (E)-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one | | Descriptor: | 5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y. | | Deposit date: | 2015-01-21 | | Release date: | 2015-12-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
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6S4A
 | | Structure of human MTHFD2 in complex with TH9028 | | Descriptor: | (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | | Authors: | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | | Deposit date: | 2019-06-27 | | Release date: | 2021-07-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
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6S4F
 | | Structure of human MTHFD2 in complex with TH9619 | | Descriptor: | (E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid, ADENOSINE-5'-DIPHOSPHATE, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | | Authors: | Scaletti, E.R, Gustafsson, R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | | Deposit date: | 2019-06-27 | | Release date: | 2021-07-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
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6S4E
 | | Structure of human MTHFD2 in complex with TH7299 | | Descriptor: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | Authors: | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | | Deposit date: | 2019-06-27 | | Release date: | 2021-07-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
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7RB0
 | | Cryo-EM structure of SARS-CoV-2 NSP15 NendoU at pH 7.5 | | Descriptor: | Uridylate-specific endoribonuclease | | Authors: | Godoy, A.S, Song, Y, Nakamura, A.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliva, G. | | Deposit date: | 2021-07-05 | | Release date: | 2021-07-14 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
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7RB2
 | | Cryo-EM structure of SARS-CoV-2 NSP15 NendoU in BIS-Tris pH 6.0 | | Descriptor: | Uridylate-specific endoribonuclease | | Authors: | Godoy, A.S, Song, Y, Nakamura, A.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliva, G. | | Deposit date: | 2021-07-05 | | Release date: | 2021-07-14 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
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4ACM
 | | CDK2 IN COMPLEX WITH 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}-PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE | | Descriptor: | 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, CYCLIN-DEPENDENT KINASE 2, GLYCEROL | | Authors: | Berg, S, Bhat, R, Anderson, M, Bergh, M, Brassington, C, Hellberg, S, Jerning, E, Hogdin, K, Lo-Alfredsson, Y, Neelissen, J, Nilsson, Y, Ormo, M, Soderman, P, Stanway, J, Tucker, J, von Berg, S, Weigelt, T, Xue, Y. | | Deposit date: | 2011-12-16 | | Release date: | 2012-05-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
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6MO1
 | | Structure of dengue virus protease with an allosteric Inhibitor that blocks replication | | Descriptor: | 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-[(piperidin-4-yl)methyl]pyrazin-2-amine, FLAVIVIRUS_NS2B/Peptidase S7 | | Authors: | Lin, Y.-L, Hua, Y, Nie, S, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y. | | Deposit date: | 2018-10-03 | | Release date: | 2019-05-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease.
J.Am.Chem.Soc., 141, 2019
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6MO0
 | | Structure of dengue virus protease with an allosteric Inhibitor that blocks replication | | Descriptor: | 1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine, FLAVIVIRUS_NS2B/Peptidase S7 | | Authors: | Lin, Y.-L, Nie, S, Hua, Y, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y. | | Deposit date: | 2018-10-03 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease.
J. Am. Chem. Soc., 141, 2019
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6MO2
 | | Structure of dengue virus protease with an allosteric Inhibitor that blocks replication | | Descriptor: | 1-(4-{5-[(piperidin-4-yl)methoxy]-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl}phenyl)methanamine, FLAVIVIRUS_NS2B/Peptidase S7 | | Authors: | Lin, Y.-L, Nie, S, Hua, Y, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y. | | Deposit date: | 2018-10-03 | | Release date: | 2019-05-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease.
J.Am.Chem.Soc., 141, 2019
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4Z33
 | | Crystal structure of the syntenin PDZ1 and PDZ2 tandem in complex with the Frizzled 7 C-terminal fragment and PIP2 | | Descriptor: | ACETATE ION, D-MYO-INOSITOL-4,5-BISPHOSPHATE, GLYCEROL, ... | | Authors: | Egea-Jimenez, A.L, Gallardo, R, Garcia-Pino, A, Ivarsson, Y, Wawrzyniak, A.M, Kashyap, R, Loris, R, Schymkowitz, J, Rousseau, F, Zimmermann, P. | | Deposit date: | 2015-03-30 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of the syntenin PDZ1 and PDZ2 tandem in complex with the Frizzled 7 C-terminal fragment and PIP2
To Be Published
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4YLY
 | | Crystal structure of peptidyl-tRNA hydrolase from a Gram-positive bacterium, staphylococcus aureus at 2.25 angstrom resolution | | Descriptor: | GLYCEROL, Peptidyl-tRNA hydrolase | | Authors: | Zhang, F, Song, Y, Li, X, Teng, M.K. | | Deposit date: | 2015-03-06 | | Release date: | 2016-01-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of Staphylococcus aureus peptidyl-tRNA hydrolase at a 2.25 angstrom resolution.
Acta Biochim.Biophys.Sin., 47, 2015
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6KNM
 | | Apelin receptor in complex with single domain antibody | | Descriptor: | Apelin receptor,Rubredoxin,Apelin receptor, Single domain antibody JN241, ZINC ION | | Authors: | Ma, Y.B, Ding, Y, Song, X, Ma, X, Li, X, Zhang, N, Song, Y, Sun, Y, Shen, Y, Zhong, W, Hu, L.A, Ma, Y.L, Zhang, M.Y. | | Deposit date: | 2019-08-06 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure-guided discovery of a single-domain antibody agonist against human apelin receptor.
Sci Adv, 6, 2020
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5CB3
 | | Structural Insights into the Mechanism of Escherichia coli Ymdb | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, O-acetyl-ADP-ribose deacetylase | | Authors: | Zhang, W, Wang, C, Song, Y, Shao, C, Zhang, X, Zang, J. | | Deposit date: | 2015-06-30 | | Release date: | 2015-11-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase
J.Struct.Biol., 192, 2015
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5CN2
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5CMW
 | | Crystal structure of yeast Ent5 N-terminal domain-soaked in KI | | Descriptor: | Epsin-5, GLYCEROL, IODIDE ION | | Authors: | Zhang, F, Song, Y, Li, X, Teng, M.K. | | Deposit date: | 2015-07-17 | | Release date: | 2016-07-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and functional insight into the N-terminal domain of the clathrin adaptor Ent5 from Saccharomyces cerevisiae
Biochem.Biophys.Res.Commun., 477, 2016
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5CB5
 | | Structural Insights into the Mechanism of Escherichia coli Ymdb | | Descriptor: | ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, O-acetyl-ADP-ribose deacetylase, ... | | Authors: | Zhang, W, Wang, C, Song, Y, Shao, C, Zhang, X, Zang, J. | | Deposit date: | 2015-06-30 | | Release date: | 2015-11-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase
J.Struct.Biol., 192, 2015
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5CN1
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5CMY
 | | Crystal structure of yeast Ent5 N-terminal domain-native | | Descriptor: | Epsin-5, GLYCEROL | | Authors: | Zhang, F, Song, Y, Li, X, Teng, M.K. | | Deposit date: | 2015-07-17 | | Release date: | 2016-07-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural and functional insight into the N-terminal domain of the clathrin adaptor Ent5 from Saccharomyces cerevisiae
Biochem.Biophys.Res.Commun., 477, 2016
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5CMS
 | | Structural Insights into the Mechanism of Escherichia coli Ymdb | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, O-acetyl-ADP-ribose deacetylase, SULFATE ION | | Authors: | Zhang, W, Wang, C, Song, Y, Shao, C, Zhang, X, Zang, J. | | Deposit date: | 2015-07-17 | | Release date: | 2015-11-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase
J.Struct.Biol., 192, 2015
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5J08
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5J2Y
 | | Molecular insight into the regulatory mechanism of the quorum-sensing repressor RsaL in Pseudomonas aeruginosa | | Descriptor: | DNA (26-MER), Regulatory protein | | Authors: | Zhao, J, Gan, J, Zhang, J, Kang, H, Kong, W, Zhu, M, Li, F, Song, Y, Qin, J, Liang, H. | | Deposit date: | 2016-03-30 | | Release date: | 2017-04-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of Pseudomonas aeruginosa RsaL bound to promoter DNA reaffirms its role as a global regulator involved in quorum-sensing.
Nucleic Acids Res., 45, 2017
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5YEI
 | | Mechanistic insight into the regulation of Pseudomonas aeruginosa aspartate kinase | | Descriptor: | Aspartokinase, GLYCEROL, LYSINE, ... | | Authors: | Li, C, Yang, M, Liu, L, Peng, C, Li, T, He, L, Song, Y, Zhu, Y, Bao, R. | | Deposit date: | 2017-09-17 | | Release date: | 2018-08-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Mechanistic insights into the allosteric regulation of Pseudomonas aeruginosa aspartate kinase.
Biochem.J., 475, 2018
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5VBL
 | | Structure of apelin receptor in complex with agonist peptide | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apelin receptor,Rubredoxin,Apelin receptor Chimera, ZINC ION, ... | | Authors: | Ma, Y, Yue, Y, Ma, Y, Zhang, Q, Zhou, Q, Song, Y, Shen, Y, Li, X, Ma, X, Li, C, Hanson, M.A, Han, G.W, Sickmier, E.A, Swaminath, G, Zhao, S, Stevems, R.C, Hu, L.A, Zhong, W, Zhang, M, Xu, F. | | Deposit date: | 2017-03-29 | | Release date: | 2017-05-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis for Apelin Control of the Human Apelin Receptor
Structure, 25, 2017
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