7QUM
 
 | | ATAD2 in complex with FragLite2 | | Descriptor: | 1,2-ETHANEDIOL, 4-IODOPYRAZOLE, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-01-18 | | Release date: | 2023-03-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
|
|
1JKH
 | | CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ) | | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ... | | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2001-07-12 | | Release date: | 2001-10-03 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
|
|
1JLG
 | | CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH UC-781 | | Descriptor: | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, HIV-1 RT A-chain, HIV-1 RT B-chain | | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2001-07-16 | | Release date: | 2001-10-03 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
|
|
7QPB
 | | Catalytic C-lobe of the HECT-type ubiquitin ligase E6AP in complex with a hybrid foldamer-peptide macrocycle | | Descriptor: | Isoform I of Ubiquitin-protein ligase E3A, hybrid foldamer-peptide macrocycle | | Authors: | Dengler, S, Howard, R.T, Morozov, V, Tsiamantas, C, Douat, C, Suga, H, Huc, I. | | Deposit date: | 2022-01-03 | | Release date: | 2023-09-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.342 Å) | | Cite: | Display Selection of a Hybrid Foldamer-Peptide Macrocycle.
Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
7RRH
 | | Crystal structure of fast switching R66M/M159T mutant of fluorescent protein Dronpa (Dronpa2) | | Descriptor: | Fluorescent protein Dronpa | | Authors: | Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G. | | Deposit date: | 2021-08-09 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.747 Å) | | Cite: | Energetic Basis and Design of Enzyme Function Demonstrated Using GFP, an Excited-State Enzyme.
J.Am.Chem.Soc., 144, 2022
|
|
7RRK
 | | Crystal structure of fast switching M159E mutant of fluorescent protein Dronpa (Dronpa2) | | Descriptor: | Fluorescent protein Dronpa | | Authors: | Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G. | | Deposit date: | 2021-08-09 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.929 Å) | | Cite: | Energetic Basis and Design of Enzyme Function Demonstrated Using GFP, an Excited-State Enzyme.
J.Am.Chem.Soc., 144, 2022
|
|
7RRJ
 | | Crystal structure of fast switching M159Q mutant of fluorescent protein Dronpa (Dronpa2) | | Descriptor: | Fluorescent protein Dronpa | | Authors: | Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G. | | Deposit date: | 2021-08-09 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Energetic Basis and Design of Enzyme Function Demonstrated Using GFP, an Excited-State Enzyme.
J.Am.Chem.Soc., 144, 2022
|
|
7RRI
 | | Crystal structure of fast switching S142A/M159T mutant of fluorescent protein Dronpa (Dronpa2) | | Descriptor: | Fluorescent protein Dronpa | | Authors: | Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G. | | Deposit date: | 2021-08-09 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.643 Å) | | Cite: | Energetic Basis and Design of Enzyme Function Demonstrated Using GFP, an Excited-State Enzyme.
J.Am.Chem.Soc., 144, 2022
|
|
6WG1
 | |
4RPI
 | | Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase from Mycobacterium tuberculosis | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, nicotinate-nucleotide adenylyltransferase | | Authors: | Rodionova, I, Zuccola, H, Sorci, L, Aleshin, A.E, Kazanov, M, Sergienko, E, Rubin, E, Locher, C, Osterman, A. | | Deposit date: | 2014-10-30 | | Release date: | 2015-01-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.417 Å) | | Cite: | Mycobacterial nicotinate mononucleotide adenylyltransferase: structure, mechanism, and implications for drug discovery.
J. Biol. Chem., 290, 2015
|
|
1K0T
 | | NMR SOLUTION STRUCTURE OF UNBOUND, OXIDIZED PHOTOSYSTEM I SUBUNIT PSAC, CONTAINING [4FE-4S] CLUSTERS FA AND FB | | Descriptor: | IRON/SULFUR CLUSTER, PSAC SUBUNIT OF PHOTOSYSTEM I | | Authors: | Antonkine, M.L, Liu, G, Bentrop, D, Bryant, D.A, Bertini, I, Luchinat, C, Golbeck, J.H, Stehlik, D. | | Deposit date: | 2001-09-20 | | Release date: | 2002-06-05 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the unbound, oxidized Photosystem I subunit PsaC, containing [4Fe-4S] clusters F(A) and F(B): a conformational change occurs upon binding to photosystem I.
J.Biol.Inorg.Chem., 7, 2002
|
|
8R8K
 | |
3DEP
 | | Structural basis for specific substrate recognition by the chloroplast signal recognition particle protein cpSRP43 | | Descriptor: | CHLORIDE ION, Signal recognition particle 43 kDa protein, YPGGSFDPLGLA | | Authors: | Holdermann, I, Stengel, K.F, Wild, K, Sinning, I. | | Deposit date: | 2008-06-10 | | Release date: | 2008-08-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for specific substrate recognition by the chloroplast signal recognition particle protein cpSRP43.
Science, 321, 2008
|
|
3E1Z
 | | Crystal structure of the parasite protesase inhibitor chagasin in complex with papain | | Descriptor: | ACETIC ACID, Chagasin, FORMIC ACID, ... | | Authors: | Redzynia, I, Bujacz, G, Bujacz, A, Ljunggren, A, Abrahamson, M, Jaskolski, M. | | Deposit date: | 2008-08-05 | | Release date: | 2009-01-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal structure of the parasite inhibitor chagasin in complex with papain allows identification of structural requirements for broad reactivity and specificity determinants for target proteases.
Febs J., 276, 2009
|
|
4U8P
 | | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y317A complexed with UDP | | Descriptor: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | | Deposit date: | 2014-08-03 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
|
|
6GNT
 | | Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand | | Descriptor: | 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, ... | | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | | Deposit date: | 2018-05-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
|
|
4U8K
 | | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Q107A | | Descriptor: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | | Deposit date: | 2014-08-03 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
|
|
3DWV
 | |
8IQE
 | | Crystal structure of tetrameric K2-2 TSP | | Descriptor: | GLYCEROL, K2-VCL6 TSP | | Authors: | Ye, T.J, Huang, K.F, Tu, I.F, Lee, I.M, Chang, Y.P, Wu, S.H. | | Deposit date: | 2023-03-16 | | Release date: | 2024-02-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Klebsiella pneumoniae K2 capsular polysaccharide degradation by a bacteriophage depolymerase does not require trimer formation.
Mbio, 15, 2024
|
|
4U8M
 | | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y317A | | Descriptor: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | | Deposit date: | 2014-08-03 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
|
|
1IAO
 | | CLASS II MHC I-AD IN COMPLEX WITH OVALBUMIN PEPTIDE 323-339 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC CLASS II I-AD | | Authors: | Scott, C.A, Peterson, P.A, Teyton, L, Wilson, I.A. | | Deposit date: | 1998-03-13 | | Release date: | 1998-11-04 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of two I-Ad-peptide complexes reveal that high affinity can be achieved without large anchor residues.
Immunity, 8, 1998
|
|
4U8N
 | | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant F66A complexed with UDP | | Descriptor: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | | Deposit date: | 2014-08-03 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
|
|
8QVO
 | | L211Q, L254N, T262G mutant of carboxypeptidase T from Thermoactinomyces vulgaris | | Descriptor: | CALCIUM ION, Carboxypeptidase T, SULFATE ION, ... | | Authors: | Timofeev, V.I, Dorovatovskii, P.V, Lazarenko, V.A, Akparov, V.K, Kuranova, I.P. | | Deposit date: | 2023-10-18 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | L211Q, L254N, T262G mutant of carboxypeptidase T from Thermoactinomyces vulgaris
To Be Published
|
|
7YKE
 | | Crystal structure of chondroitin ABC lyase I in complex with chondroitin disaccharide 4,6-sulfate | | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactopyranose, Chondroitin sulfate ABC endolyase, MAGNESIUM ION | | Authors: | Takashima, M, Watanabe, I, Miyanaga, A, Eguchi, T. | | Deposit date: | 2022-07-22 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Biochemical and crystallographic assessments of the effect of 4,6-O-disulfated disaccharide moieties in chondroitin sulfate E on chondroitinase ABC I activity.
Febs J., 290, 2023
|
|
6XCO
 | | Immune receptor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, GLYCEROL, ... | | Authors: | Tran, T.M, Faridi, P, Lim, J.J, Ting, T.Y, Onwukwe, G, Bhattacharjee, P, Jones, M.C, Tresoldi, E, Cameron, J.F, La-Gruta, L.N, Purcell, W.A, Mannering, I.S, Rossjohn, J, Reid, H.H. | | Deposit date: | 2020-06-08 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | T cell receptor recognition of hybrid insulin peptides bound to HLA-DQ8.
Nat Commun, 12, 2021
|
|
