5HW2
 
 | | Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with fumaric acid | | 分子名称: | 1,2-ETHANEDIOL, Adenylosuccinate lyase, FUMARIC ACID, ... | | 著者 | Chang, C, Maltseva, N, Kim, Y, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2016-01-28 | | 公開日 | 2016-02-10 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.054 Å) | | 主引用文献 | Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with fumaric acid
To Be Published
|
|
5HXH
 | | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with zero Na+ and Ca2+ | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, PENTADECANE, ... | | 著者 | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | | 登録日 | 2016-01-30 | | 公開日 | 2016-05-11 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.804 Å) | | 主引用文献 | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger
Nat.Struct.Mol.Biol., 23, 2016
|
|
5YDI
 | | Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector anopheles gambiae, new crystal packing | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, GLYCEROL, ... | | 著者 | Han, Q, Guan, H, Ding, H, Liao, C, Robinson, H, Li, J. | | 登録日 | 2017-09-13 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | | 主引用文献 | Crystal structures of acetylcholinesterase of the malaria vector Anopheles gambiae reveal a polymerization interface, ligand binding residues and post translational modifications
To Be Published
|
|
7BGR
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1016 | | 分子名称: | 14-3-3 protein sigma, 2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde, CALCIUM ION, ... | | 著者 | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | 登録日 | 2021-01-08 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
|
|
2C6N
 | | Structure of human somatic angiontensin-I converting enzyme N domain with lisinopril | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | 著者 | Corradi, H.R, Schwager, S.L.U, Nichinda, A, Sturrock, E.D, Acharya, K.R. | | 登録日 | 2005-11-10 | | 公開日 | 2006-03-15 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Crystal structure of the N domain of human somatic angiotensin I-converting enzyme provides a structural basis for domain-specific inhibitor design.
J. Mol. Biol., 357, 2006
|
|
7U34
 | | The structure of phosphoglucose isomerase from Aspergillus fumigatus | | 分子名称: | CHLORIDE ION, CITRATE ANION, GLYCEROL, ... | | 著者 | Yan, K, Kowalski, B, Fang, W, van Aalten, D. | | 登録日 | 2022-02-25 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis.
Mbio, 13, 2022
|
|
7U99
 | | EGFR kinase in complex with a macrocyclic inhibitor | | 分子名称: | 19-chloro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine, CITRATE ANION, Epidermal growth factor receptor | | 著者 | Beyett, T.S, Eck, M.J. | | 登録日 | 2022-03-10 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Macrocyclization of Quinazoline-Based EGFR Inhibitors Leads to Exclusive Mutant Selectivity for EGFR L858R and Del19.
J.Med.Chem., 65, 2022
|
|
7U98
 | | EGFR(T790M/V948R) in complex with a macrocyclic inhibitor | | 分子名称: | 19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine, Epidermal growth factor receptor | | 著者 | Beyett, T.S, Eck, M.J. | | 登録日 | 2022-03-10 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.42 Å) | | 主引用文献 | Macrocyclization of Quinazoline-Based EGFR Inhibitors Leads to Exclusive Mutant Selectivity for EGFR L858R and Del19.
J.Med.Chem., 65, 2022
|
|
7BDP
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1017 | | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde, MAGNESIUM ION, ... | | 著者 | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | 登録日 | 2020-12-22 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
|
|
7BDT
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1009 | | 分子名称: | 14-3-3 protein sigma, 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde, MAGNESIUM ION, ... | | 著者 | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | 登録日 | 2020-12-22 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
|
|
6V1B
 | | Crystal structure of the bromodomain of human BRD9 bound to I-BRD9 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 9, N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide | | 著者 | Karim, M.R, Chan, A, Schonbrunn, E. | | 登録日 | 2019-11-20 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
|
|
9ITH
 | | Nav1.5 in complex with TTX | | 分子名称: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Yan, N, Li, Z, Wu, T. | | 登録日 | 2024-07-20 | | 公開日 | 2025-08-20 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Critical role of extracellular loops in differential modulations of TTX-sensitive and TTX-resistant Na v channels.
Proc.Natl.Acad.Sci.USA, 122, 2025
|
|
4MRX
 | | Crystal Structure of Y138F obelin mutant from Obelia longissima at 1.72 Angstrom resolution | | 分子名称: | C2-HYDROPEROXY-COELENTERAZINE, Obelin | | 著者 | Natashin, P.V, Ding, W, Eremeeva, E.V, Markova, S.V, Lee, J, Vysotski, E.S, Liu, Z.J. | | 登録日 | 2013-09-17 | | 公開日 | 2014-03-12 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.718 Å) | | 主引用文献 | Structures of the Ca2+-regulated photoprotein obelin Y138F mutant before and after bioluminescence support the catalytic function of a water molecule in the reaction.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
6IE7
 | |
2BHH
 | | HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE INHIBITOR 4-HYDROXYPIPERINDINESULFONYL-INDIRUBINE | | 分子名称: | (2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN-1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO-2,3'-BIINDOL-2'(1'H)-ONE, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Schaefer, M, Jautelat, R, Brumby, T, Briem, H, Eisenbrand, G, Schwahn, S, Krueger, M, Luecking, U, Prien, O, Siemeister, G. | | 登録日 | 2005-01-11 | | 公開日 | 2005-03-09 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | From the Insoluble Dye Indirubin Towards Highly Active, Soluble Cdk2-Inhibitors
Chembiochem, 6, 2005
|
|
9HWQ
 | | Crystal structure of the Keap1 Kelch domain in complex with the XChem fragment Z19735904 at 1.14 Angstrom resolution. | | 分子名称: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ... | | 著者 | Narayanan, D, Bach, A, Gajhede, M. | | 登録日 | 2025-01-06 | | 公開日 | 2025-09-03 | | 最終更新日 | 2025-10-08 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Fragment-Based Drug Discovery of Novel High-affinity, Selective, and Anti-inflammatory Inhibitors of the Keap1-Nrf2 Protein-Protein Interaction.
Angew.Chem.Int.Ed.Engl., 64, 2025
|
|
7ZPG
 | | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH LIGAND | | 分子名称: | Monoglyceride lipase, [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-bromanyl-3-methoxy-phenyl)methanone | | 著者 | Kemble, A, Hornsperger, B, Ruf, I, Richter, H, Benz, J, Kuhn, B, Heer, D, Wittwer, M, Engelhardt, B, Grether, U, Collin, L, Leibrock, L. | | 登録日 | 2022-04-27 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | A potent and selective inhibitor for the modulation of MAGL activity in the neurovasculature.
Plos One, 17, 2022
|
|
3O6I
 | | Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | | 分子名称: | 2-[({3-tert-butyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, GLUTAMIC ACID, Glutamate receptor 2, ... | | 著者 | Maclean, J.K.F, Campbell, R.A, Cumming, I.A, Gillen, K.J, Gillespie, J, Jamieson, C, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Martin, F, Moir, E.M, Morrow, J.A, Pantling, J, Rankovic, Z, Smith, L. | | 登録日 | 2010-07-29 | | 公開日 | 2010-09-15 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A novel series of positive modulators of the AMPA receptor: structure-based lead optimization.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
9HWS
 | | Crystal structure of the Keap1 Kelch domain in complex with the small molecule UCAB#909 at 1.61 Angstrom resolution | | 分子名称: | 3-[7-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Narayanan, D, Bach, A, Gajhede, M. | | 登録日 | 2025-01-06 | | 公開日 | 2025-09-03 | | 最終更新日 | 2025-10-08 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Fragment-Based Drug Discovery of Novel High-affinity, Selective, and Anti-inflammatory Inhibitors of the Keap1-Nrf2 Protein-Protein Interaction.
Angew.Chem.Int.Ed.Engl., 64, 2025
|
|
4ZNR
 | | Crystal structure of Dln1 complexed with Man(alpha1-3)Man | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | 著者 | Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y. | | 登録日 | 2015-05-05 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
|
|
5JX2
 | | Crystal structure of MglB-2 (Tp0684) from Treponema pallidum | | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | 著者 | Brautigam, C.A, Deka, R.K, Norgard, M.V. | | 登録日 | 2016-05-12 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.0504 Å) | | 主引用文献 | The Tp0684 (MglB-2) Lipoprotein of Treponema pallidum: A Glucose-Binding Protein with Divergent Topology.
Plos One, 11, 2016
|
|
4O8N
 | | Crystal structure of SthAraf62A, a GH62 family alpha-L-arabinofuranosidase from Streptomyces thermoviolaceus, in the apoprotein form | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-L-arabinofuranosidase, CALCIUM ION, ... | | 著者 | Stogios, P.J, Wang, W, Xu, X, Cui, H, Master, E, Savchenko, A. | | 登録日 | 2013-12-28 | | 公開日 | 2014-07-02 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.6476 Å) | | 主引用文献 | Elucidation of the molecular basis for arabinoxylan-debranching activity of a thermostable family GH62 alpha-l-arabinofuranosidase from Streptomyces thermoviolaceus.
Appl.Environ.Microbiol., 80, 2014
|
|
6IJI
 | | Crystal structure of PDE10 in complex with inhibitor 2b | | 分子名称: | 2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ... | | 著者 | Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B. | | 登録日 | 2018-10-10 | | 公開日 | 2019-04-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors.
J. Med. Chem., 62, 2019
|
|
6FQK
 | | GluA2(flop) S729C ligand binding core dimer bound to ZK200775 at 1.98 Angstrom resolution | | 分子名称: | Glutamate receptor 2,Glutamate receptor 2, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid | | 著者 | Coombs, I.D, Soto, D, Gold, M.G, Farrant, M.F, Cull-Candy, S.G. | | 登録日 | 2018-02-14 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.98010445 Å) | | 主引用文献 | Homomeric GluA2(R) AMPA receptors can conduct when desensitized.
Nat Commun, 10, 2019
|
|
2C6F
 | | Structure of human somatic angiontensin-I converting enzyme N domain | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | 著者 | Corradi, H.R, Schwager, S.L.U, Nichinda, A, Sturrock, E.D, Acharya, K.R. | | 登録日 | 2005-11-09 | | 公開日 | 2006-11-08 | | 最終更新日 | 2025-10-01 | | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | | 主引用文献 | Crystal Structure of the N Domain of Human Somatic Angiotensin I-Converting Enzyme Provides a Structural Basis for Domain-Specific Inhibitor Design.
J.Mol.Biol., 357, 2006
|
|
