2KOD
 
 | | A high-resolution NMR structure of the dimeric C-terminal domain of HIV-1 CA | | Descriptor: | HIV-1 CA C-terminal domain | | Authors: | Byeon, I.-J.L, Jung, J, Ahn, J, concel, J, Gronenborn, A.M. | | Deposit date: | 2009-09-18 | | Release date: | 2009-11-24 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural convergence between Cryo-EM and NMR reveals intersubunit interactions critical for HIV-1 capsid function.
Cell(Cambridge,Mass.), 139, 2009
|
|
7CL0
 | | Crystal structure of human SIRT6 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... | | Authors: | Song, K, Zhang, J. | | Deposit date: | 2020-07-20 | | Release date: | 2021-02-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
|
|
7CL1
 | | Human SIRT6 in complex with allosteric activator MDL-801 (3.2A) | | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Song, K, Zhang, J. | | Deposit date: | 2020-07-20 | | Release date: | 2021-02-24 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
|
|
6BWE
 | | Sortase A from Corynebacterium diphtheriae, lid mutant | | Descriptor: | Putative fimbrial associated sortase-like protein | | Authors: | Osipiuk, J, Chang, C, Huang, I.H, Ton-That, H, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-12-14 | | Release date: | 2017-12-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | In vitro reconstitution of sortase-catalyzed pilus polymerization reveals structural elements involved in pilin cross-linking.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
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
|
|
6TER
 | | Crystal structure of a galactokinase from Bifidobacterium infantis in complex with Galactose | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A. | | Deposit date: | 2019-11-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides.
Cell Chem Biol, 27, 2020
|
|
1CYF
 | |
8JB4
 | | lipopolysaccharide-binding domain-LBDB | | Descriptor: | Antilipopolysaccharide factor D | | Authors: | Huang, J, Qin, Z. | | Deposit date: | 2023-05-08 | | Release date: | 2024-03-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Machine learning and genetic algorithm-guided directed evolution for the development of small-molecule antibiotics originating from antimicrobial peptides
To Be Published
|
|
2AJI
 | | Crystal structure of the editing domain of E. coli leucyl-tRNA synthetase complexes with isoleucine | | Descriptor: | ISOLEUCINE, Leucyl-tRNA synthetase | | Authors: | Liu, Y, Liao, J, Zhu, B, Wang, E.D, Ding, J. | | Deposit date: | 2005-08-02 | | Release date: | 2006-01-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structures of the editing domain of Escherichia coli leucyl-tRNA synthetase and its complexes with Met and Ile reveal a lock-and-key mechanism for amino acid discrimination
Biochem.J., 394, 2006
|
|
6RXU
 | | Cryo-EM structure of the 90S pre-ribosome (Kre33-Noc4) from Chaetomium thermophilum, state B1 | | Descriptor: | 35S rRNA, 40S ribosomal protein S1, 40S ribosomal protein S11-like protein, ... | | Authors: | Cheng, J, Kellner, N, Griesel, S, Berninghausen, O, Beckmann, R, Hurt, E. | | Deposit date: | 2019-06-10 | | Release date: | 2019-08-14 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Thermophile 90S Pre-ribosome Structures Reveal the Reverse Order of Co-transcriptional 18S rRNA Subdomain Integration.
Mol.Cell, 75, 2019
|
|
2AK4
 | | Crystal Structure of SB27 TCR in complex with HLA-B*3508-13mer peptide | | Descriptor: | Beta-2-microglobulin, EBV peptide LPEPLPQGQLTAY, HLA-B35 variant, ... | | Authors: | Tynan, F.E, Burrows, S.R, Buckle, A.M, Clements, C.S, Borg, N.A, Miles, J.J, Beddoe, T, Whisstock, J.C, Wilce, M.C, Silins, S.L, Burrows, J.M, Kjer-Nielsen, L, Konstenko, L, Purcell, A.W, McCluskey, J, Rossjohn, J. | | Deposit date: | 2005-08-03 | | Release date: | 2005-10-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | T cell receptor recognition of a 'super-bulged' major histocompatibility complex class I-bound peptide
Nat.Immunol., 6, 2005
|
|
6NDP
 | | Crystal structure of the dark-adapted full-length bacteriophytochrome XccBphP mutant L193Q from Xanthomonas campestris | | Descriptor: | BILIVERDINE IX ALPHA, Bacteriophytochrome | | Authors: | Otero, L.H, Sirigu, S, Klinke, S, Rinaldi, J, Conforte, V, Malamud, F, Goldbaum, F.A, Chavas, L, Bonomi, H.R. | | Deposit date: | 2018-12-14 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.89 Å) | | Cite: | Pr-favoured variants of the bacteriophytochrome from the plant pathogen Xanthomonas campestris hint on light regulation of virulence-associated mechanisms.
Febs J., 288, 2021
|
|
6NEC
 | | STRUCTURE OF RET PROTEIN TYROSINE KINASE DOMAIN IN COMPLEX WITH NINTEDANIB | | Descriptor: | FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret, methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate | | Authors: | Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M. | | Deposit date: | 2018-12-17 | | Release date: | 2019-06-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural basis of resistance of mutant RET protein-tyrosine kinase to its inhibitors nintedanib and vandetanib.
J.Biol.Chem., 294, 2019
|
|
4LWE
 | | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ2 | | Descriptor: | Heat shock protein HSP 90-alpha, N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide | | Authors: | Li, J, Shi, F, Xiong, B, He, J. | | Deposit date: | 2013-07-27 | | Release date: | 2014-07-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
|
|
6RGW
 | | Photorhabdus asymbiotica lectin PHL in complex with O-methylated PGL-1-derived disaccharide | | Descriptor: | 1,2-ETHANEDIOL, 3,6-O-dimethyl-D-glucose, 4-(2-azanylethoxy)phenol, ... | | Authors: | Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M. | | Deposit date: | 2019-04-17 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
|
|
2AX1
 | | Hepatitis C Virus NS5b RNA Polymerase in complex with a covalent inhibitor (5ee) | | Descriptor: | 5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-THIOPHENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE, Genome polyprotein, SULFATE ION | | Authors: | Powers, J.P, Piper, D.E, Li, Y, Mayorga, V, Anzola, J, Chen, J.M, Jaen, J.C, Lee, G, Liu, J, Peterson, M.G, Tonn, G.R, Ye, Q, Walker, N.P, Wang, Z. | | Deposit date: | 2005-09-02 | | Release date: | 2006-01-24 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase.
J.Med.Chem., 49, 2006
|
|
6AND
 | | Pinatuzumab Fab in complex with anti-Kappa VHH domain | | Descriptor: | Anti-kappa VHH domain, GLYCEROL, Pinatuzumab Fab Heavy chain, ... | | Authors: | Ereno-Orbea, J, Sicard, T, Julien, J.-P. | | Deposit date: | 2017-08-12 | | Release date: | 2018-01-31 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Basis of Enhanced Crystallizability Induced by a Molecular Chaperone for Antibody Antigen-Binding Fragments.
J. Mol. Biol., 430, 2018
|
|
2AHS
 | | Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Receptor-type tyrosine-protein phosphatase beta, ... | | Authors: | Ugochukwu, E, Eswaran, J, Barr, A, Gileadi, O, Sobott, F, Burgess, N, Ball, L, Bray, J, von Delft, F, Debreczeni, J, Bunkoczi, G, Turnbull, A, Das, S, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-07-28 | | Release date: | 2005-08-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
|
|
6TLO
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5,6-TRIBROMOBENZOTRIAZOLE | | Descriptor: | 5,6,7-tris(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
|
|
8J6I
 | | Cryo-EM structure of thehydroxycarboxylic acid receptor 2-Gi protein complex bound MK-6892 | | Descriptor: | 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 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, ... | | Authors: | Yuan, Q, Zhu, S, Duan, J, Xu, H.E, Duan, X. | | Deposit date: | 2023-04-26 | | Release date: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Molecular recognition of niacin and lipid-lowering drugs by the human hydroxycarboxylic acid receptor 2.
Cell Rep, 42, 2023
|
|
4LWI
 | | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6 | | Descriptor: | Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide | | Authors: | Li, J, Shi, F, Xiong, B, He, J. | | Deposit date: | 2013-07-27 | | Release date: | 2014-07-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
|
|
6TLV
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5-BROMOBENZOTRIAZOLE | | Descriptor: | 6-bromanyl-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
|
|
1RT3
 | | AZT DRUG RESISTANT HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH 1051U91 | | Descriptor: | 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, HIV-1 REVERSE TRANSCRIPTASE | | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | | Deposit date: | 1998-06-29 | | Release date: | 1999-02-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | 3'-Azido-3'-deoxythymidine drug resistance mutations in HIV-1 reverse transcriptase can induce long range conformational changes.
Proc.Natl.Acad.Sci.USA, 95, 1998
|
|
8J6L
 | | Cryo-EM structure of thehydroxycarboxylic acid receptor 2-Gi protein complex bound niacin | | 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(i) subunit alpha-1, ... | | Authors: | Yuan, Q, Zhu, S, Duan, J, Xu, H.E, Duan, X. | | Deposit date: | 2023-04-26 | | Release date: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Molecular recognition of niacin and lipid-lowering drugs by the human hydroxycarboxylic acid receptor 2.
Cell Rep, 42, 2023
|
|
6NJA
 | | Structure of WT RET protein tyrosine kinase domain at 1.92A resolution. | | Descriptor: | ADENINE, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret | | Authors: | Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M. | | Deposit date: | 2019-01-02 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural basis of resistance of mutant RET protein-tyrosine kinase to its inhibitors nintedanib and vandetanib.
J.Biol.Chem., 294, 2019
|
|
