3VF3
| Crystal Structure of Human Beta Secretase in Complex with NVP-BQQ711 | Descriptor: | (3S,4S,5R)-3-(4-amino-3-bromo-5-fluorobenzyl)-5-{[3-(1,1-difluoroethyl)benzyl]amino}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | Authors: | Rondeau, J.M, Bourgier, E. | Deposit date: | 2012-01-09 | Release date: | 2012-11-21 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides J.Med.Chem., 55, 2012
|
|
4M21
| Crystal Structure of small molecule acrylamide 11 covalently bound to K-Ras G12C | Descriptor: | 1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one, GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | Deposit date: | 2013-08-05 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
|
|
3VG1
| Crystal Structure of Human Beta Secretase in Complex with NVP-BUR436, derived from a soaking experiment | Descriptor: | (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | Authors: | Rondeau, J.M, Bourgier, E. | Deposit date: | 2012-01-10 | Release date: | 2012-11-21 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides J.Med.Chem., 55, 2012
|
|
4LYF
| Crystal Structure of small molecule vinylsulfonamide 8 covalently bound to K-Ras G12C | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | Deposit date: | 2013-07-31 | Release date: | 2013-11-27 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.568 Å) | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
|
|
1BJT
| TOPOISOMERASE II RESIDUES 409-1201 | Descriptor: | TOPOISOMERASE II | Authors: | Fass, D, Bogden, C.E, Berger, J.M. | Deposit date: | 1998-06-29 | Release date: | 1999-05-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Quaternary changes in topoisomerase II may direct orthogonal movement of two DNA strands. Nat.Struct.Biol., 6, 1999
|
|
4M1W
| Crystal Structure of small molecule vinylsulfonamide covalently bound to K-Ras G12C | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, MAGNESIUM ION, ... | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | Deposit date: | 2013-08-04 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
|
|
1BL8
| POTASSIUM CHANNEL (KCSA) FROM STREPTOMYCES LIVIDANS | Descriptor: | POTASSIUM ION, PROTEIN (POTASSIUM CHANNEL PROTEIN) | Authors: | Doyle, D.A, Cabral, J.M, Pfuetzner, R.A, Kuo, A, Gulbis, J.M, Cohen, S.L, Chait, B.T, Mackinnon, R. | Deposit date: | 1998-07-23 | Release date: | 1998-07-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The structure of the potassium channel: molecular basis of K+ conduction and selectivity. Science, 280, 1998
|
|
4MX5
| Structure of ricin A chain bound with benzyl-(2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)ethyl)carbamate | Descriptor: | Ricin A chain, benzyl (2-{[(2-amino-4-oxo-3,4-dihydropteridin-7-yl)carbonyl]amino}ethyl)carbamate | Authors: | Jasheway, K.R, Robertus, J.D, Wiget, P.A, Manzano, L.A, Pruet, J.M, Gao, G, Saito, R, Monzingo, A.F, Anslyn, E.V. | Deposit date: | 2013-09-25 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Sulfur incorporation generally improves Ricin inhibition in pterin-appended glycine-phenylalanine dipeptide mimics. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4MN4
| Structural Basis for the MukB-topoisomerase IV Interaction | Descriptor: | Chromosome partition protein MukB, DNA topoisomerase 4 subunit A | Authors: | Vos, S.M, Stewart, N.K, Oakley, M.G, Berger, J.M. | Deposit date: | 2013-09-09 | Release date: | 2013-10-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the MukB-topoisomerase IV interaction and its functional implications in vivo. Embo J., 32, 2013
|
|
4N48
| Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 Protein in complex with capped RNA fragment | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1, S-ADENOSYLMETHIONINE, ... | Authors: | Smietanski, M, Werener, M, Purta, E, Kaminska, K.H, Stepinski, J, Darzynkiewicz, E, Nowotny, M, Bujnicki, J.M. | Deposit date: | 2013-10-08 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.704 Å) | Cite: | Structural analysis of human 2'-O-ribose methyltransferases involved in mRNA cap structure formation. Nat Commun, 5, 2014
|
|
4N6A
| Soybean Serine Acetyltransferase Apoenzyme | Descriptor: | PHOSPHATE ION, Serine Acetyltransferase Apoenzyme | Authors: | Yi, H, Dey, S, Kumaran, S, Krishnan, H.B, Jez, J.M. | Deposit date: | 2013-10-11 | Release date: | 2013-11-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of soybean serine acetyltransferase and formation of the cysteine regulatory complex as a molecular chaperone. J.Biol.Chem., 288, 2013
|
|
1B65
| Structure of l-aminopeptidase d-ala-esterase/amidase from ochrobactrum anthropi, a prototype for the serine aminopeptidases, reveals a new variant among the ntn hydrolase fold | Descriptor: | PROTEIN (AMINOPEPTIDASE) | Authors: | Bompard-Gilles, C, Villeret, V, Davies, G.J, Fanuel, L, Joris, B, Frere, J.M, Van Beeumen, J. | Deposit date: | 1999-01-20 | Release date: | 1999-07-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | A new variant of the Ntn hydrolase fold revealed by the crystal structure
of L-aminopeptidase D-ala-esterase/amidase from Ochrobactrum anthropi. Structure Fold.Des., 8, 2000
|
|
4N6B
| Soybean Serine Acetyltransferase Complexed with CoA | Descriptor: | COENZYME A, Serine Acetyltransferase Apoenzyme | Authors: | Yi, H, Dey, S, Kumaran, S, Krishnan, H.B, Jez, J.M. | Deposit date: | 2013-10-11 | Release date: | 2013-11-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.005 Å) | Cite: | Structure of soybean serine acetyltransferase and formation of the cysteine regulatory complex as a molecular chaperone. J.Biol.Chem., 288, 2013
|
|
1C54
| SOLUTION STRUCTURE OF RIBONUCLEASE SA | Descriptor: | RIBONUCLEASE SA | Authors: | Laurents, D.V, Canadillas-Perez, J.M, Santoro, J, Schell, D, Pace, C.N, Rico, M, Bruix, M. | Deposit date: | 1999-10-22 | Release date: | 2001-11-28 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of ribonuclease Sa. Proteins, 44, 2001
|
|
1CCP
| X-RAY STRUCTURES OF RECOMBINANT YEAST CYTOCHROME C PEROXIDASE AND THREE HEME-CLEFT MUTANTS PREPARED BY SITE-DIRECTED MUTAGENESIS | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, YEAST CYTOCHROME C PEROXIDASE | Authors: | Wang, J, Mauro, J.M, Edwards, S.L, Oatley, S.J, Fishel, L.A, Ashford, V.A, Xuong, N.-H, Kraut, J. | Deposit date: | 1990-02-28 | Release date: | 1991-07-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray structures of recombinant yeast cytochrome c peroxidase and three heme-cleft mutants prepared by site-directed mutagenesis. Biochemistry, 29, 1990
|
|
4L9W
| Crystal Structure of H-Ras G12C, GMPPNP-bound | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | Deposit date: | 2013-06-18 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
|
|
2P3Z
| Crystal structure of L-Rhamnonate dehydratase from Salmonella typhimurium | Descriptor: | L-rhamnonate dehydratase, SODIUM ION | Authors: | Malashkevich, V.N, Sauder, J.M, Dickey, M, Adams, J.M, Burley, S.K, Wasserman, S.R, Gerlt, J, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-03-10 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of L-Rhamnonate Dehydratase from Salmonella Typhimurium Lt2 To be Published
|
|
4L39
| Crystal structure of GH3.12 from Arabidopsis thaliana in complex with AMPCPP and salicylate | Descriptor: | 2-HYDROXYBENZOIC ACID, 4-substituted benzoates-glutamate ligase GH3.12, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Zubieta, C, Jez, J.M, Brown, E, Marcellin, R, Kapp, U, Round, A, Westfall, C. | Deposit date: | 2013-06-05 | Release date: | 2013-10-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Determination of the GH3.12 protein conformation through HPLC-integrated SAXS measurements combined with X-ray crystallography. Acta Crystallogr.,Sect.D, 69, 2013
|
|
2PCY
| |
4KTV
| Structural insights of MAT enzymes: MATa2b complexed with adenosine and pyrophosphate | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE, MAGNESIUM ION, ... | Authors: | Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L. | Deposit date: | 2013-05-21 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure and function study of the complex that synthesizes S-adenosylmethionine. IUCrJ, 1, 2014
|
|
4L8G
| Crystal Structure of K-Ras G12C, GDP-bound | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | Deposit date: | 2013-06-17 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
|
|
1AL2
| P1/MAHONEY POLIOVIRUS, SINGLE SITE MUTANT V1160I | Descriptor: | MYRISTIC ACID, P1/MAHONEY POLIOVIRUS, SPHINGOSINE | Authors: | Wien, M.W, Curry, S, Filman, D.J, Hogle, J.M. | Deposit date: | 1997-06-09 | Release date: | 1997-11-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural studies of poliovirus mutants that overcome receptor defects. Nat.Struct.Biol., 4, 1997
|
|
4LN3
| The crystal structure of hemagglutinin from a H7N9 influenza virus (A/Shanghai/1/2013) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yang, H, Carney, P.J, Chang, J.C, Villanueva, J.M, Stevens, J. | Deposit date: | 2013-07-11 | Release date: | 2013-10-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural Analysis of the Hemagglutinin from the Recent 2013 H7N9 Influenza Virus. J.Virol., 87, 2013
|
|
4LN4
| The crystal structure of hemagglutinin form a h7n9 influenza virus (a/shanghai/1/2013) in complex with lstb | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yang, H, Carney, P.J, Chang, J.C, Villanueva, J.M, Stevens, J. | Deposit date: | 2013-07-11 | Release date: | 2013-10-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Analysis of the Hemagglutinin from the Recent 2013 H7N9 Influenza Virus. J.Virol., 87, 2013
|
|
4LP7
| |