4C9X
| Crystal structure of NUDT1 (MTH1) with S-crizotinib | Descriptor: | 3-[(1S)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-(1-PIPERIDIN-4-YLPYRAZOL-4-YL)PYRIDIN-2-AMINE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, CHLORIDE ION, ... | Authors: | Elkins, J.M, Salah, E, Huber, K, Superti-Furga, G, Abdul Azeez, K.R, Krojer, T, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | Deposit date: | 2013-10-03 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy. Nature, 508, 2014
|
|
4C9W
| Crystal structure of NUDT1 (MTH1) with R-crizotinib | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, CHLORIDE ION, ... | Authors: | Elkins, J.M, Salah, E, Huber, K, Superti-Furga, G, Abdul Azeez, K.R, Raynor, J, Krojer, T, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | Deposit date: | 2013-10-03 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy. Nature, 508, 2014
|
|
6JVI
| Crystal structure of human MTH1 in complex with compound MI0861 | Descriptor: | (4R)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Peng, C, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
|
|
6JVP
| Crystal structure of human MTH1 in complex with compound MI1024 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
|
|
6JVG
| Crystal structure of human MTH1 in complex with compound MI0639 | Descriptor: | 5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase | Authors: | Peng, C, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.844 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
|
|
6JVQ
| Crystal structure of human MTH1 in complex with compound MI1025 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
|
|
6JVH
| Crystal structure of human MTH1 in complex with compound MI0320 | Descriptor: | 4-amino-6-fluoroquinoline-3-carbohydrazide, 7,8-dihydro-8-oxoguanine triphosphatase | Authors: | Peng, C, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
|
|
6JVO
| Crystal structure of human MTH1 in complex with compound MI1022 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
|
|
6JVM
| Crystal structure of human MTH1 in complex with compound MI1016 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
|
|
6JVF
| Crystal structure of human apo MTH1 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase | Authors: | Peng, C, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
|
|
6JVL
| Crystal structure of human MTH1 in complex with compound MI1014 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
|
|
2DSB
| |
2DHO
| Crystal structure of human IPP isomerase I in space group P212121 | Descriptor: | CHLORIDE ION, Isopentenyl-diphosphate delta-isomerase 1, MANGANESE (II) ION, ... | Authors: | Zhang, C, Wei, Z, Gong, W. | Deposit date: | 2006-03-24 | Release date: | 2007-06-05 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of human IPP isomerase: new insights into the catalytic mechanism J.Mol.Biol., 366, 2007
|
|
2DUK
| Crystal structure of MS0616 | Descriptor: | MS0616 | Authors: | Hosaka, T, Nishino, A, Uchikubo, K.-T, Kishishita, S, Murayama, K, Shirouzu, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-07-24 | Release date: | 2007-01-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Crystal structure of MS0616 To be Published
|
|
2DSC
| |
2DSD
| |
2FKB
| Crystal structure of a putative enzyme (possible Nudix hydrolase) from Escherichia Coli K12 | Descriptor: | ACETATE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Nocek, B, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-01-04 | Release date: | 2006-02-21 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a putative enzyme (possible Nudix hydrolase) from Escherichia Coli K12 To be Published
|
|
6NL1
| Structure of T. brucei MERS1 protein in its apo form | Descriptor: | Mitochondrial edited mRNA stability factor 1, SULFATE ION | Authors: | Schumacher, M.A. | Deposit date: | 2019-01-07 | Release date: | 2019-11-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.297 Å) | Cite: | Structures of MERS1, the 5' processing enzyme of mitochondrial mRNAs inTrypanosoma brucei. Rna, 26, 2020
|
|
2G74
| |
2FML
| |
2FVV
| Human Diphosphoinositol polyphosphate phosphohydrolase 1 | Descriptor: | CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Hallberg, B.M, Kursula, P, Ogg, D, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Persson, C, Structural Genomics Consortium (SGC) | Deposit date: | 2006-01-31 | Release date: | 2006-03-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal structure of human diphosphoinositol phosphatase 1 Proteins, 77, 2009
|
|
2G73
| Y104F mutant type 1 IPP isomerase complex with EIPP | Descriptor: | 4-HYDROXY-3-METHYL BUTYL DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, MAGNESIUM ION, ... | Authors: | de Ruyck, J, Wouters, J. | Deposit date: | 2006-02-27 | Release date: | 2006-04-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural role for Tyr-104 in Escherichia coli isopentenyl-diphosphate isomerase: site-directed mutagenesis, enzymology, and protein crystallography. J.Biol.Chem., 281, 2006
|
|
2GT4
| Crystal Structure of the Y103F mutant of the GDP-mannose mannosyl hydrolase in complex with GDP-mannose and MG+2 | Descriptor: | GDP-mannose mannosyl hydrolase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, MAGNESIUM ION, ... | Authors: | Gabelli, S.B, Bianchet, M.A, Azurmendi, H.F, Mildvan, A.S, Amzel, L.A. | Deposit date: | 2006-04-27 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray, NMR, and mutational studies of the catalytic cycle of the GDP-mannose mannosyl hydrolase reaction. Biochemistry, 45, 2006
|
|
2GT2
| Structure of the E. coli GDP-mannose mannosyl hydrolase | Descriptor: | GDP-mannose mannosyl hydrolase | Authors: | Gabelli, S.B, Bianchet, M.A, Azurmendi, H.F, MIldvan, A.S, Amzel, L.M. | Deposit date: | 2006-04-27 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray, NMR, and mutational studies of the catalytic cycle of the GDP-mannose mannosyl hydrolase reaction. Biochemistry, 45, 2006
|
|
2I6K
| Crystal structure of human type I IPP isomerase complexed with a substrate analog | Descriptor: | ACETIC ACID, AMINOETHANOLPYROPHOSPHATE, Isopentenyl-diphosphate delta-isomerase 1, ... | Authors: | Zhang, C, Wei, Z, Gong, W. | Deposit date: | 2006-08-29 | Release date: | 2007-06-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of human IPP isomerase: new insights into the catalytic mechanism J.Mol.Biol., 366, 2007
|
|