1P7P
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![BU of 1p7p by Molmil](/molmil-images/mine/1p7p) | Methionyl-tRNA synthetase from Escherichia coli complexed with methionine phosphonate | 分子名称: | (1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHONIC ACID, Methionyl-tRNA synthetase, ZINC ION | 著者 | Crepin, T, Schmitt, E, Mechulam, Y, Sampson, P.B, Vaughan, M.D, Honek, J.F, Blanquet, S. | 登録日 | 2003-05-05 | 公開日 | 2004-02-17 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 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
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![BU of 1rdt by Molmil](/molmil-images/mine/1rdt) | Crystal Structure of a new rexinoid bound to the RXRalpha ligand binding doamin in the RXRalpha/PPARgamma heterodimer | 分子名称: | (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, ... | 著者 | 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. | 登録日 | 2003-11-06 | 公開日 | 2004-11-09 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-based design of potent retinoid X receptor alpha agonists. J.Med.Chem., 47, 2004
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1RQG
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![BU of 1rqg by Molmil](/molmil-images/mine/1rqg) | Methionyl-tRNA synthetase from Pyrococcus abyssi | 分子名称: | Methionyl-tRNA synthetase, ZINC ION | 著者 | Crepin, T, Schmitt, E, Blanquet, S, Mechulam, Y. | 登録日 | 2003-12-05 | 公開日 | 2004-05-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Three-dimensional structure of methionyl-tRNA synthetase from Pyrococcus abyssi. Biochemistry, 43, 2004
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1S1E
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![BU of 1s1e by Molmil](/molmil-images/mine/1s1e) | Crystal Structure of Kv Channel-interacting protein 1 (KChIP-1) | 分子名称: | CALCIUM ION, Kv channel interacting protein 1 | 著者 | 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. | 登録日 | 2004-01-06 | 公開日 | 2005-01-11 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Two N-terminal domains of Kv4 K(+) channels regulate binding to and modulation by KChIP1. Neuron, 41, 2004
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4AWJ
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![BU of 4awj by Molmil](/molmil-images/mine/4awj) | pVHL:EloB:EloC complex, in complex with capped Hydroxyproline | 分子名称: | (4R)-1-acetyl-4-hydroxy-N-methyl-L-prolinamide, ACETATE ION, ACETIC ACID, ... | 著者 | Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A. | 登録日 | 2012-06-04 | 公開日 | 2012-11-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | 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
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![BU of 1s1g by Molmil](/molmil-images/mine/1s1g) | Crystal Structure of Kv4.3 T1 Domain | 分子名称: | Potassium voltage-gated channel subfamily D member 3, ZINC ION | 著者 | 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. | 登録日 | 2004-01-06 | 公開日 | 2004-03-23 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Two N-terminal domains of Kv4 K(+) channels regulate binding to and modulation by KChIP1. Neuron, 41, 2004
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4AJY
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![BU of 4ajy by Molmil](/molmil-images/mine/4ajy) | von Hippel-Lindau protein-ElonginB-ElonginC complex, bound to Hif1- alpha peptide | 分子名称: | GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | 著者 | Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A. | 登録日 | 2012-02-21 | 公開日 | 2012-11-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | 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
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![BU of 1pfy by Molmil](/molmil-images/mine/1pfy) | METHIONYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI COMPLEXED WITH METHIONYL SULPHAMOYL ADENOSINE | 分子名称: | 5'-O-[(L-METHIONYL)-SULPHAMOYL]ADENOSINE, Methionyl-tRNA synthetase, ZINC ION | 著者 | Crepin, T, Schmitt, E, Mechulam, Y, Sampson, P.B, Vaughan, M.D, Honek, J.F, Blanquet, S. | 登録日 | 2003-05-27 | 公開日 | 2004-02-17 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | 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
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![BU of 1pfu by Molmil](/molmil-images/mine/1pfu) | METHIONYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI COMPLEXED WITH METHIONINE PHOSPHINATE | 分子名称: | (1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHINIC ACID, Methionyl-tRNA synthetase, ZINC ION | 著者 | Crepin, T, Schmitt, E, Mechulam, Y, Sampson, P.B, Vaughan, M.D, Honek, J.F, Blanquet, S. | 登録日 | 2003-05-27 | 公開日 | 2004-02-17 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | 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
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![BU of 1pg0 by Molmil](/molmil-images/mine/1pg0) | Methionyl-trna synthetase from escherichia coli complexed with methioninyl adenylate | 分子名称: | L-METHIONYL ADENYLATE, Methionyl-tRNA synthetase | 著者 | Crepin, T, Schmitt, E, Mechulam, Y, Sampson, P.B, Vaughan, M.D, Honek, J.F, Blanquet, S. | 登録日 | 2003-05-27 | 公開日 | 2004-02-17 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 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
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![BU of 1pfw by Molmil](/molmil-images/mine/1pfw) | METHIONYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI COMPLEXED WITH TRIFLUOROMETHIONINE | 分子名称: | 2-AMINO-4-TRIFLUOROMETHYLSULFANYL-BUTYRIC ACID, Methionyl-tRNA synthetase, ZINC ION | 著者 | Crepin, T, Schmitt, E, Mechulam, Y, Sampson, P.B, Vaughan, M.D, Honek, J.F, Blanquet, S. | 登録日 | 2003-05-27 | 公開日 | 2004-02-17 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | 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
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![BU of 1pfv by Molmil](/molmil-images/mine/1pfv) | METHIONYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI COMPLEXED WITH DIFLUOROMETHIONINE | 分子名称: | Methionyl-tRNA synthetase, S-(DIFLUOROMETHYL)HOMOCYSTEINE, ZINC ION | 著者 | Crepin, T, Schmitt, E, Mechulam, Y, Sampson, P.B, Vaughan, M.D, Honek, J.F, Blanquet, S. | 登録日 | 2003-05-27 | 公開日 | 2004-02-17 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 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
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![BU of 1pg2 by Molmil](/molmil-images/mine/1pg2) | METHIONYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI COMPLEXED WITH METHIONINE AND ADENOSINE | 分子名称: | ADENOSINE, METHIONINE, Methionyl-tRNA synthetase | 著者 | Crepin, T, Schmitt, E, Mechulam, Y, Sampson, P.B, Vaughan, M.D, Honek, J.F, Blanquet, S. | 登録日 | 2003-05-27 | 公開日 | 2004-02-17 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | 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
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![BU of 5ug9 by Molmil](/molmil-images/mine/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 | 分子名称: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ... | 著者 | Gajiwala, K.S, Ferre, R.A. | 登録日 | 2017-01-07 | 公開日 | 2017-03-22 | 最終更新日 | 2018-10-10 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | 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
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![BU of 5uga by Molmil](/molmil-images/mine/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 | 分子名称: | 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, ... | 著者 | Gajiwala, K.S, Ferre, R.A. | 登録日 | 2017-01-07 | 公開日 | 2017-03-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | 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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![BU of 5ugb by Molmil](/molmil-images/mine/5ugb) | |
8QUY
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![BU of 8quy by Molmil](/molmil-images/mine/8quy) | Hexameric HIV-1 CA in complex with DDD01728501 | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione, Spacer peptide 1 | 著者 | Petit, A.P, Fyfe, P.K. | 登録日 | 2023-10-17 | 公開日 | 2024-03-27 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | 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
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![BU of 8qva by Molmil](/molmil-images/mine/8qva) | Hexameric HIV-1 CA in complex with DDD01829894 | 分子名称: | 1,2-ETHANEDIOL, 7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one, Spacer peptide 1 | 著者 | Petit, A.P, Fyfe, P.K. | 登録日 | 2023-10-17 | 公開日 | 2024-03-27 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 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
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![BU of 8qub by Molmil](/molmil-images/mine/8qub) | Hexameric HIV-1 CA in complex with DDD00074110 | 分子名称: | (1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one, Spacer peptide 1 | 著者 | Petit, A.P, Fyfe, P.K. | 登録日 | 2023-10-16 | 公開日 | 2024-03-27 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | 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
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![BU of 8quj by Molmil](/molmil-images/mine/8quj) | Hexameric HIV-1 CA in complex with DDD00100452 | 分子名称: | 1,2-ETHANEDIOL, 3-(phenylmethyl)-1~{H}-imidazol-2-one, Spacer peptide 1 | 著者 | Petit, A.P, Fyfe, P.K. | 登録日 | 2023-10-16 | 公開日 | 2024-03-27 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | 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
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![BU of 8qul by Molmil](/molmil-images/mine/8qul) | Hexameric HIV-1 CA in complex with DDD00100555 | 分子名称: | 3-(BENZYLOXY)PYRIDIN-2-AMINE, Spacer peptide 1 | 著者 | Petit, A.P, Fyfe, P.K. | 登録日 | 2023-10-16 | 公開日 | 2024-03-27 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | 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
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![BU of 8quw by Molmil](/molmil-images/mine/8quw) | Hexameric HIV-1 CA in complex with DDD01044153 | 分子名称: | (4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one, 1,2-ETHANEDIOL, Spacer peptide 1 | 著者 | Petit, A.P, Fyfe, P.K. | 登録日 | 2023-10-17 | 公開日 | 2024-03-27 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | 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
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![BU of 8qv1 by Molmil](/molmil-images/mine/8qv1) | Hexameric HIV-1 CA in complex with DDD01728505 | 分子名称: | Spacer peptide 1, methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate | 著者 | Petit, A.P, Fyfe, P.K. | 登録日 | 2023-10-17 | 公開日 | 2024-03-27 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | 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
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![BU of 8quh by Molmil](/molmil-images/mine/8quh) | Hexameric HIV-1 CA in complex with DDD00057456 | 分子名称: | 4-methylquinolin-2-ol, Spacer peptide 1 | 著者 | Petit, A.P, Fyfe, P.K. | 登録日 | 2023-10-16 | 公開日 | 2024-03-27 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | 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
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![BU of 8qui by Molmil](/molmil-images/mine/8qui) | Hexameric HIV-1 CA in complex with DDD00024969 | 分子名称: | Spacer peptide 1, ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate | 著者 | Petit, A.P, Fyfe, P.K. | 登録日 | 2023-10-16 | 公開日 | 2024-03-27 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | 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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