1P7P
 
 | | Methionyl-tRNA synthetase from Escherichia coli complexed with methionine phosphonate | | Descriptor: | (1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHONIC ACID, Methionyl-tRNA synthetase, ZINC ION | | Authors: | Crepin, T, Schmitt, E, Mechulam, Y, Sampson, P.B, Vaughan, M.D, Honek, J.F, Blanquet, S. | | Deposit date: | 2003-05-05 | | Release date: | 2004-02-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Use of analogues of methionine and methionyl adenylate to sample conformational changes during catalysis in Escherichia coli methionyl-tRNA synthetase.
J.Mol.Biol., 332, 2003
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1RDT
 | | Crystal Structure of a new rexinoid bound to the RXRalpha ligand binding doamin in the RXRalpha/PPARgamma heterodimer | | Descriptor: | (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-1-BENZOFURAN-2-YL]-2-PROPENOIC ACID, 2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, LxxLL motif coactivator, ... | | Authors: | Haffner, C.D, Lenhard, J.M, Miller, A.B, McDougald, D.L, Dwornik, K, Ittoop, O.R, Gampe Jr, R.T, Xu, H.E, Blanchard, S, Montana, V.G. | | Deposit date: | 2003-11-06 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based design of potent retinoid X receptor alpha agonists.
J.Med.Chem., 47, 2004
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1RQG
 | | Methionyl-tRNA synthetase from Pyrococcus abyssi | | Descriptor: | Methionyl-tRNA synthetase, ZINC ION | | Authors: | Crepin, T, Schmitt, E, Blanquet, S, Mechulam, Y. | | Deposit date: | 2003-12-05 | | Release date: | 2004-05-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Three-dimensional structure of methionyl-tRNA synthetase from Pyrococcus abyssi.
Biochemistry, 43, 2004
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1S1E
 | | Crystal Structure of Kv Channel-interacting protein 1 (KChIP-1) | | Descriptor: | CALCIUM ION, Kv channel interacting protein 1 | | Authors: | Scannevin, R.H, Wang, K.-W, Jow, F, Megules, J, Kopsco, D.C, Edris, W, Carroll, K.C, Lu, Q, Xu, W.-X, Xu, Z.-B, Katz, A.H, Olland, S, Lin, L, Taylor, M, Stahl, M, Malakian, K, Somers, W, Mosyak, L, Bowlby, M.R, Chanda, P, Rhodes, K.J. | | Deposit date: | 2004-01-06 | | Release date: | 2005-01-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Two N-terminal domains of Kv4 K(+) channels regulate binding to and modulation by KChIP1.
Neuron, 41, 2004
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4AWJ
 | | pVHL:EloB:EloC complex, in complex with capped Hydroxyproline | | Descriptor: | (4R)-1-acetyl-4-hydroxy-N-methyl-L-prolinamide, ACETATE ION, ACETIC ACID, ... | | Authors: | Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A. | | Deposit date: | 2012-06-04 | | Release date: | 2012-11-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
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1S1G
 | | Crystal Structure of Kv4.3 T1 Domain | | Descriptor: | Potassium voltage-gated channel subfamily D member 3, ZINC ION | | Authors: | Scannevin, R.H, Wang, K.W, Jow, F, Megules, J, Kopsco, D.C, Edris, W, Carroll, K.C, Lu, Q, Xu, W.X, Xu, Z.B, Katz, A.H, Olland, S, Lin, L, Taylor, M, Stahl, M, Malakian, K, Somers, W, Mosyak, L, Bowlby, M.R, Chanda, P, Rhodes, K.J. | | Deposit date: | 2004-01-06 | | Release date: | 2004-03-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Two N-terminal domains of Kv4 K(+) channels regulate binding to and modulation by KChIP1.
Neuron, 41, 2004
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4AJY
 | | von Hippel-Lindau protein-ElonginB-ElonginC complex, bound to Hif1- alpha peptide | | Descriptor: | GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | | Authors: | Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A. | | Deposit date: | 2012-02-21 | | Release date: | 2012-11-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
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1PFY
 | | METHIONYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI COMPLEXED WITH METHIONYL SULPHAMOYL ADENOSINE | | Descriptor: | 5'-O-[(L-METHIONYL)-SULPHAMOYL]ADENOSINE, Methionyl-tRNA synthetase, ZINC ION | | Authors: | Crepin, T, Schmitt, E, Mechulam, Y, Sampson, P.B, Vaughan, M.D, Honek, J.F, Blanquet, S. | | Deposit date: | 2003-05-27 | | Release date: | 2004-02-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Use of analogues of methionine and methionyl adenylate to sample conformational changes during catalysis in Escherichia coli methionyl-tRNA synthetase.
J.Mol.Biol., 332, 2003
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1PFU
 | | METHIONYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI COMPLEXED WITH METHIONINE PHOSPHINATE | | Descriptor: | (1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHINIC ACID, Methionyl-tRNA synthetase, ZINC ION | | Authors: | Crepin, T, Schmitt, E, Mechulam, Y, Sampson, P.B, Vaughan, M.D, Honek, J.F, Blanquet, S. | | Deposit date: | 2003-05-27 | | Release date: | 2004-02-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Use of analogues of methionine and methionyl adenylate to sample conformational changes during catalysis in Escherichia coli methionyl-tRNA synthetase.
J.Mol.Biol., 332, 2003
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1PG0
 | | Methionyl-trna synthetase from escherichia coli complexed with methioninyl adenylate | | Descriptor: | L-METHIONYL ADENYLATE, Methionyl-tRNA synthetase | | Authors: | Crepin, T, Schmitt, E, Mechulam, Y, Sampson, P.B, Vaughan, M.D, Honek, J.F, Blanquet, S. | | Deposit date: | 2003-05-27 | | Release date: | 2004-02-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Use of analogues of methionine and methionyl adenylate to sample conformational changes during catalysis in Escherichia coli methionyl-tRNA synthetase.
J.Mol.Biol., 332, 2003
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1PFW
 | | METHIONYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI COMPLEXED WITH TRIFLUOROMETHIONINE | | Descriptor: | 2-AMINO-4-TRIFLUOROMETHYLSULFANYL-BUTYRIC ACID, Methionyl-tRNA synthetase, ZINC ION | | Authors: | Crepin, T, Schmitt, E, Mechulam, Y, Sampson, P.B, Vaughan, M.D, Honek, J.F, Blanquet, S. | | Deposit date: | 2003-05-27 | | Release date: | 2004-02-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Use of analogues of methionine and methionyl adenylate to sample conformational changes during catalysis in Escherichia coli methionyl-tRNA synthetase.
J.Mol.Biol., 332, 2003
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1PFV
 | | METHIONYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI COMPLEXED WITH DIFLUOROMETHIONINE | | Descriptor: | Methionyl-tRNA synthetase, S-(DIFLUOROMETHYL)HOMOCYSTEINE, ZINC ION | | Authors: | Crepin, T, Schmitt, E, Mechulam, Y, Sampson, P.B, Vaughan, M.D, Honek, J.F, Blanquet, S. | | Deposit date: | 2003-05-27 | | Release date: | 2004-02-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Use of analogues of methionine and methionyl adenylate to sample conformational changes during catalysis in Escherichia coli methionyl-tRNA synthetase.
J.Mol.Biol., 332, 2003
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1PG2
 | | METHIONYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI COMPLEXED WITH METHIONINE AND ADENOSINE | | Descriptor: | ADENOSINE, METHIONINE, Methionyl-tRNA synthetase | | Authors: | Crepin, T, Schmitt, E, Mechulam, Y, Sampson, P.B, Vaughan, M.D, Honek, J.F, Blanquet, S. | | Deposit date: | 2003-05-27 | | Release date: | 2004-02-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Use of analogues of methionine and methionyl adenylate to sample conformational changes during catalysis in Escherichia coli methionyl-tRNA synthetase.
J.Mol.Biol., 332, 2003
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5UG9
 | | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ... | | Authors: | Gajiwala, K.S, Ferre, R.A. | | Deposit date: | 2017-01-07 | | Release date: | 2017-03-22 | | Last modified: | 2018-10-10 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
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5UGA
 | | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium | | Descriptor: | 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor, GLYCEROL, ... | | Authors: | Gajiwala, K.S, Ferre, R.A. | | Deposit date: | 2017-01-07 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
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5UGB
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8QUY
 | | Hexameric HIV-1 CA in complex with DDD01728501 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QVA
 | | Hexameric HIV-1 CA in complex with DDD01829894 | | Descriptor: | 1,2-ETHANEDIOL, 7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QUB
 | | Hexameric HIV-1 CA in complex with DDD00074110 | | Descriptor: | (1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QUJ
 | | Hexameric HIV-1 CA in complex with DDD00100452 | | Descriptor: | 1,2-ETHANEDIOL, 3-(phenylmethyl)-1~{H}-imidazol-2-one, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QUL
 | | Hexameric HIV-1 CA in complex with DDD00100555 | | Descriptor: | 3-(BENZYLOXY)PYRIDIN-2-AMINE, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QUW
 | | Hexameric HIV-1 CA in complex with DDD01044153 | | Descriptor: | (4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one, 1,2-ETHANEDIOL, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QV1
 | | Hexameric HIV-1 CA in complex with DDD01728505 | | Descriptor: | Spacer peptide 1, methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QUH
 | | Hexameric HIV-1 CA in complex with DDD00057456 | | Descriptor: | 4-methylquinolin-2-ol, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QUI
 | | Hexameric HIV-1 CA in complex with DDD00024969 | | Descriptor: | Spacer peptide 1, ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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