6V56
 
 | | The crystal structure of the 2009 H1N1 PA endonuclease wild type in complex with SJ000985494 | | Descriptor: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein,Polymerase acidic protein, ... | | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | | Deposit date: | 2019-12-03 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000985494
To Be Published
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1YSN
 | | Solution structure of the anti-apoptotic protein Bcl-xL complexed with an acyl-sulfonamide-based ligand | | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-X | | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | | Deposit date: | 2005-02-08 | | Release date: | 2005-06-07 | | Last modified: | 2023-11-29 | | Method: | SOLUTION NMR | | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
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3K5K
 | | Discovery of a 2,4-Diamino-7-aminoalkoxy-quinazoline as a Potent Inhibitor of Histone Lysine Methyltransferase, G9a | | Descriptor: | 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine, CHLORIDE ION, Histone-lysine N-methyltransferase, ... | | Authors: | Dong, A, Wasney, G.A, Liu, F, Chen, X, Allali-Hassani, A, Senisterra, G, Chau, I, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Frye, S.V, Bochkarev, A, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-10-07 | | Release date: | 2009-11-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a.
J.Med.Chem., 52, 2009
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1Z2X
 | | Crystal structure of mouse Vps29 | | Descriptor: | Vacuolar protein sorting 29 | | Authors: | Collins, B.M, Skinner, C.F, Watson, P.J, Seaman, M.N.J, Owen, D.J. | | Deposit date: | 2005-03-10 | | Release date: | 2005-06-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Vps29 has a phosphoesterase fold that acts as a protein interaction scaffold for retromer assembly
NAT.STRUCT.MOL.BIOL., 12, 2005
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5ORO
 | | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | | Descriptor: | 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | | Deposit date: | 2017-08-16 | | Release date: | 2017-11-01 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
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5ORR
 | | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | | Descriptor: | 4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | | Deposit date: | 2017-08-16 | | Release date: | 2017-11-01 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
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1RYO
 | | Human serum transferrin, N-lobe bound with oxalate | | Descriptor: | FE (III) ION, OXALATE ION, Serotransferrin | | Authors: | Halbrooks, P.J, Mason, A.B, Adams, T.E, Briggs, S.K, Everse, S.J. | | Deposit date: | 2003-12-22 | | Release date: | 2004-05-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The oxalate effect on release of iron from human serum transferrin explained.
J.Mol.Biol., 339, 2004
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1Y42
 | | Crystal structure of a C-terminally truncated CYT-18 protein | | Descriptor: | TYROSINE, Tyrosyl-tRNA synthetase, mitochondrial | | Authors: | Paukstelis, P.J, Coon, R, Madabusi, L, Nowakowski, J, Monzingo, A, Robertus, J, Lambowitz, A.M. | | Deposit date: | 2004-11-29 | | Release date: | 2005-02-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A tyrosyl-tRNA synthetase adapted to function in group I intron splicing by acquiring a new RNA binding surface.
Mol.Cell, 17, 2005
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3KM2
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1YHD
 | | The solution structure of YGGX from Escherichia Coli | | Descriptor: | UPF0269 protein yggX | | Authors: | Osborne, M.J, Siddiqui, N, Landgraf, D, Pomposiello, P.J, Gehring, K. | | Deposit date: | 2005-01-07 | | Release date: | 2005-01-18 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The solution structure of the oxidative stress-related protein YggX from Escherichia coli.
Protein Sci., 14, 2005
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4CQV
 | | Crystal structure of H5 (tyTy) Del133/Ile155Thr Mutant Haemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ HA1, HAEMAGGLUTININ HA2, ... | | Authors: | Xiong, X, Xiao, H, Martin, S.R, Coombs, P.J, Liu, J, Collins, P.J, Vachieri, S.G, Walker, P.A, Lin, Y.P, McCauley, J.W, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2014-02-21 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Enhanced Human Receptor Binding by H5 Haemagglutinins.
Virology, 456, 2014
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1YIK
 | | Structure of Hen egg white lysozyme soaked with Cu-cyclam | | Descriptor: | 1,4,8,11-TETRAAZA-CYCLOTETRADECANE CU(II), ACETATE ION, CHLORIDE ION, ... | | Authors: | Hunter, T.M, McNae, I.W, Liang, X, Bella, J, Parsons, S, Walkinshaw, M.D, Sadler, P.J. | | Deposit date: | 2005-01-12 | | Release date: | 2005-02-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Protein recognition of macrocycles: binding of anti-HIV metallocyclams to lysozyme
Proc.Natl.Acad.Sci.Usa, 102, 2005
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5OS0
 | | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | | Descriptor: | 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | | Deposit date: | 2017-08-16 | | Release date: | 2017-11-01 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
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1S44
 | | The structure and refinement of apocrustacyanin C2 to 1.6A resolution and the search for differences between this protein and the homologous apoproteins A1 and C1. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Crustacyanin A1 subunit, GLYCEROL, ... | | Authors: | Habash, J, Helliwell, J.R, Raftery, J, Cianci, M, Rizkallah, P.J, Chayen, N.E, Nneji, G.A, Zagalsky, P.F. | | Deposit date: | 2004-01-15 | | Release date: | 2004-04-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structure and refinement of apocrustacyanin C2 to 1.3 A resolution and the search for differences between this protein and the homologous apoproteins A1 and C1.
Acta Crystallogr.,Sect.D, 60, 2004
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4CQZ
 | | Crystal Structure of H5 (VN1194) Gln196Arg Mutant Haemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Liu, J, Xiong, X, Xiao, H, Martin, S.R, Coombs, P.J, Collins, P.J, Vachieri, S.G, Walker, P.A, Lin, Y.P, McCauley, J.W, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2014-02-21 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Enhanced Human Receptor Binding by H5 Haemagglutinins.
Virology, 456, 2014
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1S73
 | | Crystal Structure of Mesopone Cytochrome c Peroxidase (R-isomer) [MpCcP-R] | | Descriptor: | Cytochrome c peroxidase, mitochondrial, FE-(4-MESOPORPHYRINONE)-R-ISOMER | | Authors: | Bhaskar, B, Immoos, C.E, Sulc, F, Choen, M.S, Farmer, P.J, Poulos, T.L. | | Deposit date: | 2004-01-28 | | Release date: | 2005-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Crystal structures of reduced, resting and NO-bound states of mesopone cytochorme c peroxidase (MpCcP) (R-isomer)
To be Published
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4CR0
 | | Crystal Structure of H5 (VN1194) Asn186Lys/Gly143Arg Mutant Haemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2 | | Authors: | Collins, P.J, Vachieri, S.G, Xiong, X, Xiao, H, Martin, S.R, Coombs, P.J, Liu, J, Walker, P.A, Lin, Y.P, McCauley, J.W, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2014-02-21 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Enhanced Human Receptor Binding by H5 Haemagglutinins.
Virology, 456, 2014
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1S9E
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R129385 | | Descriptor: | 4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE, POL polyprotein [Contains: Reverse transcriptase], POL polyprotein [Contains:Reverse transcriptase] | | Authors: | Das, K, Clark Jr, A.D, Ludovici, D.W, Kukla, M.J, Decorte, B, Lewi, P.J, Hughes, S.H, Janssen, P.A, Arnold, E. | | Deposit date: | 2004-02-04 | | Release date: | 2004-05-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants.
J.Med.Chem., 47, 2004
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4CQX
 | | H5 (tyTy) Del133/Ile155Thr Mutant Haemagglutinin in Complex with Human Receptor Analogue 6'SLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ HA1, HAEMAGGLUTININ HA2, ... | | Authors: | Xiong, X, Xiao, H, Martin, S.R, Coombs, P.J, Liu, J, Collins, P.J, Vachieri, S.G, Walker, P.A, Lin, Y.P, McCauley, J.W, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2014-02-21 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Enhanced Human Receptor Binding by H5 Haemagglutinins.
Virology, 456, 2014
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1SBM
 | | Crystal Structure of Reduced Mesopone cytochrome c peroxidase (R-isomer) | | Descriptor: | Cytochrome c peroxidase, mitochondrial, FE-(4-MESOPORPHYRINONE)-R-ISOMER | | Authors: | Bhaskar, B, Immoos, C.E, Sulc, F, Cohen, M.S, Farmer, P.J, Poulos, T.L. | | Deposit date: | 2004-02-10 | | Release date: | 2005-06-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal Structures of Resting (Fe3+), Reduced (Fe2+) and Reduced-NO adduct of Mesopone cytochrome c peroxidase (MpCcP) - R-isomer
To be Published
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3HOG
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1CKJ
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1XED
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1XFA
 | | Structure of NBD1 from murine CFTR- F508R mutant | | Descriptor: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Thibodeau, P.H, Brautigam, C.A, Machius, M, Thomas, P.J. | | Deposit date: | 2004-09-14 | | Release date: | 2004-12-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Side chain and backbone contributions of Phe508 to CFTR folding.
Nat.Struct.Mol.Biol., 12, 2005
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6FR4
 | | 003 TCR Study of CDR Loop Flexibility | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Cole, D.K. | | Deposit date: | 2018-02-15 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | In Silicoand Structural Analyses Demonstrate That Intrinsic Protein Motions Guide T Cell Receptor Complementarity Determining Region Loop Flexibility.
Front Immunol, 9, 2018
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