7APM
 
 | | tRNA-guanine transglycosylase H319C mutant spin-labeled with MTSL. | | 分子名称: | CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | 著者 | Nguyen, D, Heine, A, Klebe, G. | | 登録日 | 2020-10-18 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Unraveling a Ligand-Induced Twist of a Homodimeric Enzyme by Pulsed Electron-Electron Double Resonance.
Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
7APL
 | |
6HKM
 | | Crystal structure of Compound 1 with ERK5 | | 分子名称: | Mitogen-activated protein kinase 7, [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone | | 著者 | Nguyen, D, Lemos, C, Wortmann, L, Eis, K, Holton, S.J, Boemer, U, Lechner, C, Prechtl, S, Suelze, D, Siegel, F, Prinz, F, Lesche, R, Nicke, B, Mumberg, D, Bauser, M, Haegebarth, A. | | 登録日 | 2018-09-07 | | 公開日 | 2019-02-27 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Discovery and Characterization of the Potent and Highly Selective (Piperidin-4-yl)pyrido[3,2- d]pyrimidine Based in Vitro Probe BAY-885 for the Kinase ERK5.
J. Med. Chem., 62, 2019
|
|
7A4X
 | | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with dimethyl sulfoxide | | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Nguyen, D, Nguyen, T.X.P, Heine, A, Klebe, G. | | 登録日 | 2020-08-20 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
|
|
6HKN
 | | Crystal structure of Compound 35 with ERK5 | | 分子名称: | Mitogen-activated protein kinase 7, [2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone | | 著者 | Nguyen, D, Lemos, C, Wortmann, L, Eis, K, Holton, S.J, Boemer, U, Lechner, C, Prechtl, S, Suelze, D, Siegel, F, Prinz, F, Lesche, R, Nicke, B, Mumberg, D, Bauser, M, Haegebarth, A. | | 登録日 | 2018-09-07 | | 公開日 | 2019-02-27 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Discovery and Characterization of the Potent and Highly Selective (Piperidin-4-yl)pyrido[3,2- d]pyrimidine Based in Vitro Probe BAY-885 for the Kinase ERK5.
J. Med. Chem., 62, 2019
|
|
7A3V
 | | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with 3-hydroxysulfolane | | 分子名称: | 1,2-ETHANEDIOL, 3-hydroxythietane-1,1-dioxide, GLYCEROL, ... | | 著者 | Nguyen, D, Heine, A, Klebe, G. | | 登録日 | 2020-08-18 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
|
|
7A0B
 | | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-3,4-dihydroxysulfolane | | 分子名称: | (3~{R},4~{R})-1,1-bis(oxidanylidene)thiolane-3,4-diol, 1,2-ETHANEDIOL, GLYCEROL, ... | | 著者 | Nguyen, D, Heine, A, Klebe, G. | | 登録日 | 2020-08-07 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
|
|
7A9E
 | | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with ethyl methyl sulfone | | 分子名称: | 1,2-ETHANEDIOL, 1-methylsulfonylethane, GLYCEROL, ... | | 著者 | Nguyen, D, You, S, Heine, A, Klebe, G. | | 登録日 | 2020-09-01 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
|
|
7A3X
 | | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with sulfolane | | 分子名称: | GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ... | | 著者 | Nguyen, D, Heine, A, Klebe, G. | | 登録日 | 2020-08-18 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
|
|
7A6D
 | | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-4,4-difluorocyclopentane-1,2-diol | | 分子名称: | (1~{R},2~{R})-4,4-bis(fluoranyl)cyclopentane-1,2-diol, 1,2-ETHANEDIOL, GLYCEROL, ... | | 著者 | Nguyen, D, Heine, A, Klebe, G. | | 登録日 | 2020-08-25 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
|
|
7A4K
 | | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with tetramethylene sulfoxide | | 分子名称: | GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ... | | 著者 | Nguyen, D, Heine, A, Klebe, G. | | 登録日 | 2020-08-19 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
|
|
7ADN
 | | apo tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant | | 分子名称: | FORMIC ACID, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | 著者 | Nguyen, D, You, S, Heine, A, Klebe, G. | | 登録日 | 2020-09-15 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
|
|
5JLW
 | | AntpHD with 15bp DNA duplex R-monothioated at Cytidine-8 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C7R)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ... | | 著者 | White, M.A, Zandarashvili, L, Iwahara, J, Nguyen, D. | | 登録日 | 2016-04-27 | | 公開日 | 2016-06-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.088 Å) | | 主引用文献 | Stereospecific Effects of Oxygen-to-Sulfur Substitution in DNA Phosphate on Ion Pair Dynamics and Protein-DNA Affinity.
Chembiochem, 17, 2016
|
|
5JLX
 | | AntpHD with 15bp DNA duplex S-monothioated at Cytidine-8 | | 分子名称: | DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C7S)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), Homeotic protein antennapedia, ... | | 著者 | White, M.A, Zandarashvili, L, Iwahara, J, Nguyen, D. | | 登録日 | 2016-04-27 | | 公開日 | 2016-06-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.748 Å) | | 主引用文献 | Stereospecific Effects of Oxygen-to-Sulfur Substitution in DNA Phosphate on Ion Pair Dynamics and Protein-DNA Affinity.
Chembiochem, 17, 2016
|
|
1A3D
 | | PHOSPHOLIPASE A2 (PLA2) FROM NAJA NAJA VENOM | | 分子名称: | PHOSPHOLIPASE A2, SODIUM ION | | 著者 | Segelke, B.W, Nguyen, D, Chee, R, Xuong, H.N, Dennis, E.A. | | 登録日 | 1998-01-20 | | 公開日 | 1998-04-29 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structures of two novel crystal forms of Naja naja naja phospholipase A2 lacking Ca2+ reveal trimeric packing.
J.Mol.Biol., 279, 1998
|
|
1A3F
 | | PHOSPHOLIPASE A2 (PLA2) FROM NAJA NAJA VENOM | | 分子名称: | PHOSPHOLIPASE A2 | | 著者 | Segelke, B.W, Nguyen, D, Chee, R, Xuong, H.N, Dennis, E.A. | | 登録日 | 1998-01-21 | | 公開日 | 1998-04-29 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structures of two novel crystal forms of Naja naja naja phospholipase A2 lacking Ca2+ reveal trimeric packing.
J.Mol.Biol., 279, 1998
|
|
1HA9
 | | SOLUTION STRUCTURE OF THE SQUASH TRYPSIN INHIBITOR MCoTI-II, NMR, 30 STRUCTURES. | | 分子名称: | TRYPSIN INHIBITOR II | | 著者 | Heitz, A, Hernandez, J.-F, Gagnon, J, Hong, T.T, Pham, T.T.C, Nguyen, T.M, Le-Nguyen, D, Chiche, L. | | 登録日 | 2001-04-02 | | 公開日 | 2001-04-12 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure of the Squash Trypsin Inhibitor Mcoti-II. A New Family for Cyclic Knottins
Biochemistry, 40, 2001
|
|
1ZTD
 | | Hypothetical Protein Pfu-631545-001 From Pyrococcus furiosus | | 分子名称: | Hypothetical Protein Pfu-631545-001 | | 著者 | Fu, Z.-Q, Horanyi, P, Florence, Q, Liu, Z.-J, Chen, L, Lee, D, Habel, J, Xu, H, Nguyen, D, Chang, S.-H, Zhou, W, Zhang, H, Jenney Jr, F.E, Sha, B, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2005-05-26 | | 公開日 | 2005-06-07 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Hypothetical Protein Pfu-631545-001 From Pyrococcus furiosus
To be Published
|
|
1Y81
 | | Conserved hypothetical protein Pfu-723267-001 from Pyrococcus furiosus | | 分子名称: | COENZYME A, THIOCYANATE ION, UNKNOWN ATOM OR ION, ... | | 著者 | Zhao, M, Chang, J, Habel, J, Xu, H, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Horanyi, P, Florence, Q, Tempel, W, Zhou, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2004-12-10 | | 公開日 | 2005-01-25 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | | 主引用文献 | Conserved hypothetical protein Pfu-723267-001 from Pyrococcus furiosus
To be published
|
|
1YBZ
 | | Conserved hypothetical protein from Pyrococcus furiosus Pfu-1581948-001 | | 分子名称: | UNKNOWN ATOM OR ION, chorismate mutase | | 著者 | Lee, D, Chen, L, Nguyen, D, Dillard, B.D, Tempel, W, Habel, J, Zhou, W, Chang, S.-H, Kelley, L.-L.C, Liu, Z.-J, Lin, D, Zhang, H, Praissman, J, Bridger, S, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.-S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2004-12-21 | | 公開日 | 2005-02-01 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Conserved hypothetical protein from Pyrococcus furiosus Pfu-1581948-001
To be published
|
|
1Y82
 | | Conserved hypothetical protein Pfu-367848-001 from Pyrococcus furiosus | | 分子名称: | UNKNOWN ATOM OR ION, hypothetical protein | | 著者 | Horanyi, P, Tempel, W, Habel, J, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Florence, Q, Zhou, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2004-12-10 | | 公開日 | 2005-01-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Conserved hypothetical protein Pfu-367848-001 from Pyrococcus furiosus
To be published
|
|
1YB3
 | | Conserved hypothetical protein Pfu-178653-001 from Pyrococcus furiosus | | 分子名称: | UNKNOWN ATOM OR ION, hypothetical protein | | 著者 | Habel, J, Zhou, W, Chang, J, Zhao, M, Xu, H, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Horanyi, P, Florence, Q, Tempel, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2004-12-19 | | 公開日 | 2005-02-01 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Conserved hypothetical protein Pfu-178653-001 from Pyrococcus furiosus
To be published
|
|
1YD7
 | | Conserved hypothetical protein Pfu-1647980-001 from Pyrococcus furiosus | | 分子名称: | 2-keto acid:ferredoxin oxidoreductase subunit alpha, UNKNOWN ATOM OR ION | | 著者 | Horanyi, P, Florence, Q, Zhou, W, Chang, J, Zhao, M, Habel, J, Xu, H, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Tempel, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2004-12-23 | | 公開日 | 2005-02-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Conserved hypothetical protein Pfu-1647980-001 from Pyrococcus furiosus
To be published
|
|
1YCY
 | | Conserved hypothetical protein Pfu-1806301-001 from Pyrococcus furiosus | | 分子名称: | Conserved hypothetical protein | | 著者 | Huang, L, Liu, Z.-J, Lee, D, Tempel, W, Chang, J, Zhao, M, Habel, J, Xu, H, Chen, L, Nguyen, D, Chang, S.-H, Horanyi, P, Florence, Q, Zhou, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2004-12-23 | | 公開日 | 2005-02-22 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Conserved hypothetical protein Pfu-1806301-001 from Pyrococcus furiosus
To be published
|
|
6TNB
 | | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 41 | | 分子名称: | (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, CHLORIDE ION, Dual specificity protein kinase TTK | | 著者 | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | | 登録日 | 2019-12-06 | | 公開日 | 2020-05-13 | | 最終更新日 | 2020-08-26 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
|
|
