3WTI
| Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Clothianidin | Descriptor: | 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine, Acetylcholine-binding protein | Authors: | Okajima, T, Ihara, M, Yamashita, A, Oda, T, Matsuda, K. | Deposit date: | 2014-04-11 | Release date: | 2015-02-04 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Studies on an acetylcholine binding protein identify a basic residue in loop G on the beta 1 strand as a new structural determinant of neonicotinoid actions Mol.Pharmacol., 86, 2014
|
|
4K71
| Crystal structure of a high affinity Human Serum Albumin variant bound to the Neonatal Fc Receptor | Descriptor: | Beta-2-microglobulin, IgG receptor FcRn large subunit p51, SULFATE ION, ... | Authors: | Schmidt, M.M, Townson, S.A, Andreucci, A, Dombrowski, C, Erbe, D.V, King, B, Kovalchin, J.T, Masci, A, Murillo, A, Schirmer, E.B, Furfine, E.S, Barnes, T.M. | Deposit date: | 2013-04-16 | Release date: | 2013-10-23 | Last modified: | 2014-02-05 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of an HSA/FcRn complex reveals recycling by competitive mimicry of HSA ligands at a pH-dependent hydrophobic interface. Structure, 21, 2013
|
|
3ZI8
| Structure of the R17A mutant of the Ralstonia soleanacerum lectin at 1.5 Angstrom in complex with L-fucose | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, MAGNESIUM ION, PUTATIVE FUCOSE-BINDING LECTIN PROTEIN, ... | Authors: | Arnaud, J, Audfray, A, Claudinon, J, Trondle, K, Trosvalet, M, Thomas, A, Varrot, A, Romer, W, Imberty, A. | Deposit date: | 2013-01-07 | Release date: | 2013-07-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Reduction of Lectin Valency Drastically Changes Glycolipid Dynamics in Membranes, But not Surface Avidity. Acs Chem.Biol., 8, 2013
|
|
2CJI
| Crystal structure of a Human Factor Xa inhibitor complex | Descriptor: | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Watson, N.S, Campbell, M, Chan, C, Convery, M.A, Hamblin, J.N, Kelly, H.A, King, N.P, Mason, A.M, Mitchell, C, Patel, V.K, Senger, S, Shah, G.P, Weston, H.E, Whitworth, C, Young, R.J. | Deposit date: | 2006-04-03 | Release date: | 2006-05-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design and Synthesis of Orally Active Pyrrolidin-2-One-Based Factor Xa Inhibitors Bioorg.Med.Chem.Lett., 16, 2006
|
|
3F3D
| Crystal structure of LeuT bound to L-Methionine and sodium | Descriptor: | METHIONINE, SODIUM ION, Transporter, ... | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | Deposit date: | 2008-10-30 | Release date: | 2008-12-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation. Science, 322, 2008
|
|
3VVI
| |
3WTJ
| Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Thiacloprid | Descriptor: | Acetylcholine-binding protein, {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide | Authors: | Okajima, T, Ihara, M, Yamashita, A, Oda, T, Matsuda, K. | Deposit date: | 2014-04-11 | Release date: | 2015-02-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Studies on an acetylcholine binding protein identify a basic residue in loop G on the beta 1 strand as a new structural determinant of neonicotinoid actions Mol.Pharmacol., 86, 2014
|
|
1TWI
| Crystal structure of Diaminopimelate Decarboxylase from m. jannaschii in co-complex with L-lysine | Descriptor: | Diaminopimelate decarboxylase, LYSINE, MAGNESIUM ION, ... | Authors: | Rajashankar, K.R, Ray, S.S, Bonanno, J.B, Pinho, M.G, He, G, De Lencastre, H, Tomasz, A, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2004-07-01 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cocrystal structures of diaminopimelate decarboxylase: mechanism, evolution, and inhibition of an antibiotic resistance accessory factor Structure, 10, 2002
|
|
1TUF
| Crystal structure of Diaminopimelate Decarboxylase from m. jannaschi | Descriptor: | AZELAIC ACID, Diaminopimelate decarboxylase | Authors: | Rajashankar, K, Ray, S.R, Bonanno, J.B, Pinho, M.G, He, G, De Lencastre, H, Tomasz, A, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2004-06-24 | Release date: | 2004-07-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Cocrystal structures of diaminopimelate decarboxylase: mechanism, evolution, and inhibition of an antibiotic resistance accessory factor Structure, 10, 2002
|
|
1TVF
| Crystal Structure of penicillin-binding protein 4 (PBP4) from Staphylococcus aureus | Descriptor: | SULFATE ION, UNKNOWN LIGAND, penicillin binding protein 4 | Authors: | Rajashankar, K.R, Ray, S.S, Bonanno, J.B, Pinho, M, Tomasz, A, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2004-06-29 | Release date: | 2004-07-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of penicillin-binding protein 4 (PBP4) from Staphylococcus aureus To be Published
|
|
1TT6
| The orthorhombic crystal structure of transthyretin in complex with diethylstilbestrol | Descriptor: | DIETHYLSTILBESTROL, GLYCEROL, SULFATE ION, ... | Authors: | Morais-de-Sa, E.M, Pereira, P.J.B, Saraiva, M.J, Damas, A.M. | Deposit date: | 2004-06-22 | Release date: | 2004-10-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of transthyretin in complex with diethylstilbestrol: a promising template for the design of amyloid inhibitors J.Biol.Chem., 279, 2004
|
|
8JZ0
| |
8JZ1
| |
2BYI
| 3-(5-chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as Inhibitors of the Hsp90 Molecular Chaperone | Descriptor: | 3-(5-CHLORO-2,4-DIHYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID 4-SULFAMOYL-BENZYLAMIDE, HEAT SHOCK PROTEIN HSP90-ALPHA | Authors: | Brough, P.A, Barril, X, Beswick, M, Dymock, B.W, Drysdale, M.J, Wright, L, Grant, K, Massey, A, Surgenor, A, Workman, P. | Deposit date: | 2005-08-02 | Release date: | 2005-10-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 3-(5-Chloro-2,4-Dihydroxyphenyl)-Pyrazole-4-Carboxamides as Inhibitors of the Hsp90 Molecular Chaperone. Bioorg.Med.Chem.Lett., 15, 2005
|
|
2BSM
| Novel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design | Descriptor: | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP90-ALPHA | Authors: | Dymock, B.W, Barril, X, Brough, P.A, Cansfield, J.E, Massey, A, McDonald, E, Hubbard, R.E, Surgenor, A, Roughley, S.D, Webb, P, Workman, P, Wright, L, Drysdale, M.J. | Deposit date: | 2005-05-23 | Release date: | 2005-06-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design. J. Med. Chem., 48, 2005
|
|
2BT0
| Novel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design | Descriptor: | 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP90-ALPHA | Authors: | Dymock, B.W, Barril, X, Brough, P.A, Cansfield, J.E, Massey, A, McDonald, E, Hubbard, R.E, Surgenor, A, Roughley, S.D, Webb, P, Workman, P, Wright, L, Drysdale, M.J. | Deposit date: | 2005-05-24 | Release date: | 2005-06-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design. J. Med. Chem., 48, 2005
|
|
2BYH
| 3-(5-chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as Inhibitors of the Hsp90 Molecular Chaperone | Descriptor: | HEAT SHOCK PROTEIN HSP90-ALPHA, N-(4-ACETYLPHENYL)-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE | Authors: | Brough, P.A, Barril, X, Beswick, M, Dymock, B.W, Drysdale, M.J, Wright, L, Grant, K, Massey, A, Surgenor, A, Workman, P. | Deposit date: | 2005-08-02 | Release date: | 2005-10-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 3-(5-Chloro-2,4-Dihydroxyphenyl)-Pyrazole-4-Carboxamides as Inhibitors of the Hsp90 Molecular Chaperone. Bioorg.Med.Chem.Lett., 15, 2005
|
|
3HY9
| Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with an Amino-2-indanol compound | Descriptor: | (3R)-N~2~-(cyclopropylmethyl)-N~1~-hydroxy-3-(3-hydroxybenzyl)-N~4~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-L-aspartamide, CALCIUM ION, Catalytic Domain of ADAMTS-5, ... | Authors: | Shieh, H.-S, Williams, J.M, Caspers, N, Mathis, K.J, Tortorella, M.D, Tomasselli, A. | Deposit date: | 2009-06-22 | Release date: | 2009-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structural and inhibition analysis reveals the mechanism of selectivity of a series of aggrecanase inhibitors J.Biol.Chem., 284, 2009
|
|
4LGL
| Crystal Structure of Glycine Decarboxylase P-protein from Synechocystis sp. PCC 6803, apo form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Glycine dehydrogenase [decarboxylating] | Authors: | Hasse, D, Andersson, E, Carlsson, G, Masloboy, A, Hagemann, M, Bauwe, H, Andersson, I. | Deposit date: | 2013-06-28 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.0004 Å) | Cite: | Structure of the Homodimeric Glycine Decarboxylase P-protein from Synechocystis sp. PCC 6803 Suggests a Mechanism for Redox Regulation. J.Biol.Chem., 288, 2013
|
|
3HVL
| Tethered PXR-LBD/SRC-1p complexed with SR-12813 | Descriptor: | Pregnane X receptor, Linker, Steroid receptor coactivator 1, ... | Authors: | Lesburg, C.A, Wang, W, Prosise, W.W, Chen, J, Taremi, S.S, Le, H.V, Madison, V, Cui, X, Thomas, A, Cheng, K.C. | Deposit date: | 2009-06-16 | Release date: | 2009-08-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Construction and characterization of a fully active PXR/SRC-1 tethered protein with increased stability Protein Eng.Des.Sel., 21, 2008
|
|
3HYG
| Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with an Amino-2-indanol compound | Descriptor: | (2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide, A disintegrin and metalloproteinase with thrombospondin motifs 5, CALCIUM ION, ... | Authors: | Shieh, H.-S, Williams, J.M, Caspers, N, Mathis, K.J, Tortorella, M.D, Tomasselli, A. | Deposit date: | 2009-06-22 | Release date: | 2009-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and inhibition analysis reveals the mechanism of selectivity of a series of aggrecanase inhibitors J.Biol.Chem., 284, 2009
|
|
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
|
|
3HY7
| Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with Marimastat | Descriptor: | (2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide, A disintegrin and metalloproteinase with thrombospondin motifs 5, CALCIUM ION, ... | Authors: | Shieh, H.-S, Williams, J.M, Caspers, N, Mathis, K.J, Tortorella, M.D, Tomasselli, A. | Deposit date: | 2009-06-22 | Release date: | 2009-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural and inhibition analysis reveals the mechanism of selectivity of a series of aggrecanase inhibitors J.Biol.Chem., 284, 2009
|
|
2B14
| The crystal structure of 2,4-dinitrophenol in complex with the amyloidogenic variant Transthyretin Leu 55 Pro | Descriptor: | 2,4-DINITROPHENOL, Transthyretin | Authors: | Morais-de-Sa, E, Neto-Silva, R.M, Pereira, P.J, Saraiva, M.J, Damas, A.M. | Deposit date: | 2005-09-15 | Release date: | 2006-07-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The binding of 2,4-dinitrophenol to wild-type and amyloidogenic transthyretin ACTA CRYSTALLOGR.,SECT.D, 62, 2006
|
|
2AE1
| TROPINONE REDUCTASE-II | Descriptor: | TROPINONE REDUCTASE-II | Authors: | Nakajima, K, Yamashita, A, Akama, H, Nakatsu, T, Kato, H, Hashimoto, T, Oda, J, Yamada, Y. | Deposit date: | 1997-10-27 | Release date: | 1998-11-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of two tropinone reductases: different reaction stereospecificities in the same protein fold. Proc.Natl.Acad.Sci.USA, 95, 1998
|
|