6BGP
 
 | |
4RHY
 | | Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [2-({2-[bis(2-phosphonoethyl)amino]ethyl}[2-(6-oxo-3,6-dihydro-9H-purin-9-yl)ethyl]amino)ethyl]phosphonic acid | | Authors: | Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W. | | Deposit date: | 2014-10-03 | | Release date: | 2015-05-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3196 Å) | | Cite: | First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity.
J.Med.Chem., 58, 2015
|
|
3RKE
 | | Crystal Structure of goat Lactoperoxidase complexed with a tightly bound inhibitor, 4-aminophenyl-4H-imidazole-1-yl methanone at 2.3 A resolution | | Descriptor: | (4-aminophenyl)-imidazol-1-yl-methanone, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Dube, D, Singh, R.P, Sinha, M, Singh, A.K, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2011-04-18 | | Release date: | 2011-05-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of goat Lactoperoxidase complexed with a tightly bound inhibitor, 4-aminophenyl-4H-imidazole-1-yl methanone at 2.3 A resolution
TO BE PUBLISHED
|
|
4RHX
 | | Structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [2-([2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl]{2-[(2-oxoethyl)(2-phosphonoethyl)amino]ethyl}amino)ethyl]phosphonic acid | | Authors: | Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W. | | Deposit date: | 2014-10-03 | | Release date: | 2015-05-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.0322 Å) | | Cite: | First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity.
J.Med.Chem., 58, 2015
|
|
7BM5
 | | Crystal structure of Fab1, the Fab fragment of the anti-BamA monoclonal antibody MAB1 | | Descriptor: | Fab1 heavy chain, Fab1 light chain | | Authors: | White, P, Storek, K.M, Rutherford, S.T, Radford, S.E. | | Deposit date: | 2021-01-19 | | Release date: | 2021-06-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | The role of membrane destabilisation and protein dynamics in BAM catalysed OMP folding.
Nat Commun, 12, 2021
|
|
7BB7
 | | AVP-V2R-Galphas-beta1-gamma2-Nb35(T state) | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Bous, J, Mouillac, B, Bron, P, Granier, S, Floquet, N, Leyrat, C. | | Deposit date: | 2020-12-17 | | Release date: | 2021-06-02 | | Last modified: | 2021-06-30 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Cryo-electron microscopy structure of the antidiuretic hormone arginine-vasopressin V2 receptor signaling complex.
Sci Adv, 7, 2021
|
|
6BJD
 | | Crystal Structure of Human Calpain-3 Protease Core in Complex with E-64 | | Descriptor: | CALCIUM ION, CHLORIDE ION, Calpain-3, ... | | Authors: | Ye, Q, Campbell, R.L, Davies, P.L. | | Deposit date: | 2017-11-06 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of human calpain-3 protease core with and without bound inhibitor reveal mechanisms of calpain activation.
J. Biol. Chem., 293, 2018
|
|
4EIY
 | | Crystal structure of the chimeric protein of A2aAR-BRIL in complex with ZM241385 at 1.8A resolution | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Liu, W, Chun, E, Thompson, A.A, Chubukov, P, Xu, F, Katritch, V, Han, G.W, Heitman, L.H, Ijzerman, A.P, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2012-04-06 | | Release date: | 2012-07-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for allosteric regulation of GPCRs by sodium ions.
Science, 337, 2012
|
|
7BB6
 | | AVP-V2R-Galphas-beta1-gamma2-Nb35 (L state) | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Bous, J, Mouillac, B, Bron, P, Granier, S, Floquet, N, Leyrat, C. | | Deposit date: | 2020-12-17 | | Release date: | 2021-06-02 | | Last modified: | 2021-06-30 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Cryo-electron microscopy structure of the antidiuretic hormone arginine-vasopressin V2 receptor signaling complex.
Sci Adv, 7, 2021
|
|
7LWJ
 | |
6OX7
 | | The complex of 1918 NS1-ED and the iSH2 domain of the human p85beta subunit of PI3K | | Descriptor: | Non-structural protein 1, Phosphatidylinositol 3-kinase regulatory subunit beta | | Authors: | Shen, Q, Zhao, B, Li, P, Cho, J.H. | | Deposit date: | 2019-05-13 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Molecular recognition of a host protein by NS1 of pandemic and seasonal influenza A viruses.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
2GSJ
 | | cDNA cloning and 1.75A crystal structure determination of PPL2, a novel chimerolectin from Parkia platycephala seeds exhibiting endochitinolytic activity | | Descriptor: | SULFATE ION, protein PPL-2 | | Authors: | Cavada, B.S, Moreno, F.B, da Rocha, B.A, de Azevedo Jr, W.F, Castellon, R.E.R, Goersch, G.V, Nagano, C.S, de Souza, E.P, Nascimento, K.S, Radis-Baptista, G, Delatorre, P, Leroy, Y, Toyama, M.H, Pinto, V.P, Sampaio, A.H, Barettino, D, Debray, H, Calvete, J.J, Sanz, L. | | Deposit date: | 2006-04-26 | | Release date: | 2007-03-13 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | cDNA cloning and 1.75 A crystal structure determination of PPL2, an endochitinase and N-acetylglucosamine-binding hemagglutinin from Parkia platycephala seeds
Febs J., 273, 2006
|
|
7LWI
 | |
7LWM
 | |
4KVN
 | | Crystal structure of Fab 39.29 in complex with Influenza Hemagglutinin A/Perth/16/2009 (H3N2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Fong, R, Swem, L.R, Lupardus, P.J. | | Deposit date: | 2013-05-22 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A Novel In vivo Human Plasmablast Enrichment Technique Allows Rapid Identification of Therapeutic Anti-Influenza A Antibodies
Cell Host Microbe, 14, 2013
|
|
5ZM0
 | | X-ray structure of animal-like Cryptochrome from Chlamydomonas reinhardtii | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Cryptochrome photoreceptor, ... | | Authors: | Franz, S, Ignatz, E, Wenzel, S, Zielosko, H, Gusti Ngurah Putu, E.P, Maestre-Reyna, M, Tsai, M.-D, Yamamoto, J, Mittag, M, Essen, L.-O. | | Deposit date: | 2018-03-31 | | Release date: | 2018-07-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of the bifunctional cryptochrome aCRY from Chlamydomonas reinhardtii
Nucleic Acids Res., 46, 2018
|
|
7LWW
 | |
2OBQ
 | | Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization | | Descriptor: | Hepatitis C virus, ZINC ION | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-19 | | Release date: | 2007-07-31 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
|
|
7LWO
 | |
7LYM
 | |
6G5W
 | | Crystal Structure of KDM4A with compound YP-03-038 | | Descriptor: | (4~{R})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one, 1,2-ETHANEDIOL, CITRIC ACID, ... | | Authors: | Malecki, P.H, Carter, D.M, Gohlke, U, Specker, E, Nazare, M, Weiss, M.S, Heinemann, U. | | Deposit date: | 2018-03-30 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Enhanced Properties of a Benzimidazole Benzylpyrazole Lysine Demethylase Inhibitor: Mechanism-of-Action, Binding Site Analysis, and Activity in Cellular Models of Prostate Cancer.
J.Med.Chem., 64, 2021
|
|
2OC0
 | | Structure of NS3 complexed with a ketoamide inhibitor SCh491762 | | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, Hepatitis C virus, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
|
|
7LWT
 | |
2V4Y
 | | THE STRUCTURE OF E. COLI UMP KINASE IN COMPLEX WITH ITS ALLOSTERIC REGULATOR GTP | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, URIDYLATE KINASE | | Authors: | Meyer, P, Evrin, C, Briozzo, P, Joly, N, Barzu, O, Gilles, A.M. | | Deposit date: | 2008-09-30 | | Release date: | 2008-10-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and Functional Characterization of Escherichia Coli Ump Kinase in Complex with its Allosteric Regulator GTP.
J.Biol.Chem., 283, 2008
|
|
7LWU
 | |
