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 | 2024-07-10 | | 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, 19, 2024
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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 | 2024-07-10 | | 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, 19, 2024
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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 | 2024-07-10 | | 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, 19, 2024
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8QUX
 | | Hexameric HIV-1 CA in complex with DDD00100333 | | 分子名称: | 1,2-ETHANEDIOL, 4-benzyl-3,4-dihydroquinoxalin-2(1H)-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 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 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, 19, 2024
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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 | 2024-07-10 | | 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, 19, 2024
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8QV9
 | | Hexameric HIV-1 CA in complex with DDD01829021 | | 分子名称: | 1,2-ETHANEDIOL, 7-bromanyl-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 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.76 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, 19, 2024
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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 | 2024-07-10 | | 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, 19, 2024
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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 | 2024-07-10 | | 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, 19, 2024
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8R0J
 | | Crystal structure of the retromer complex VPS29/VPS35 with the ligand bis-1,3-phenyl guanylhydrazone, 2a | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bis-1,3-phenyl guanylhydrazon, Vacuolar protein sorting-associated protein 29, ... | | 著者 | Milani, M, Fagnani, E. | | 登録日 | 2023-10-31 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Stabilization of the retromer complex: Analysis of novel binding sites of bis-1,3-phenyl guanylhydrazone 2a to the VPS29/VPS35 interface.
Comput Struct Biotechnol J, 23, 2024
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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 | 2024-07-10 | | 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, 19, 2024
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1A3D
 | | PHOSPHOLIPASE A2 (PLA2) FROM NAJA NAJA VENOM | | 分子名称: | PHOSPHOLIPASE A2, SODIUM ION | | 著者 | Segelke, B.W, Nguyen, D, Chee, R, Xuong, H.N, Dennis, E.A. | | 登録日 | 1998-01-20 | | 公開日 | 1998-04-29 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structures of two novel crystal forms of Naja naja naja phospholipase A2 lacking Ca2+ reveal trimeric packing.
J.Mol.Biol., 279, 1998
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8R02
 | | Crystal structure of the retromer complex VPS29/VPS35 with the ligand bis-1,3-phenyl guanylhydrazone, 2a | | 分子名称: | Bis-1,3-phenyl guanylhydrazon, Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35 | | 著者 | Milani, M, Fagnani, E. | | 登録日 | 2023-10-30 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Stabilization of the retromer complex: Analysis of novel binding sites of bis-1,3-phenyl guanylhydrazone 2a to the VPS29/VPS35 interface.
Comput Struct Biotechnol J, 23, 2024
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8RON
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8R4V
 | | Structure of Salt-inducible kinase 3 in complex with inhibitor | | 分子名称: | 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]urea, Serine/threonine-protein kinase SIK3 | | 著者 | Kack, H, Oster, L. | | 登録日 | 2023-11-14 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity.
J.Biol.Chem., 300, 2024
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8QO2
 | | Conserved Structures and Dynamics in 5-Proximal Regions of Betacoronavirus RNA Genomes | | 分子名称: | OC43-CoV-SL5 | | 著者 | Moura, T.R, Purta, E, Bernat, A, Baulin, E, Mukherjee, S, Bujnicki, J.M. | | 登録日 | 2023-09-27 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (7.1 Å) | | 主引用文献 | Conserved structures and dynamics in 5'-proximal regions of Betacoronavirus RNA genomes.
Nucleic Acids Res., 52, 2024
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8R07
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8QV0
 | | Structure of the native microtubule lattice nucleated from the yeast spindle pole body | | 分子名称: | Tubulin alpha-1 chain, Tubulin beta chain | | 著者 | Dendooven, T, Yatskevich, S, Burt, A, Bellini, D, Kilmartin, J, Barford, D. | | 登録日 | 2023-10-17 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-07-31 | | 実験手法 | ELECTRON MICROSCOPY (6.6 Å) | | 主引用文献 | Structure of the native gamma-tubulin ring complex capping spindle microtubules.
Nat.Struct.Mol.Biol., 31, 2024
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1ACF
 | | ACANTHAMOEBA CASTELLANII PROFILIN IB | | 分子名称: | PROFILIN I | | 著者 | Fedorov, A.A, Magnus, K.A, Graupe, M.H, Lattman, E.E, Pollard, T.D, Almo, S.C. | | 登録日 | 1994-07-29 | | 公開日 | 1994-08-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | X-ray structures of isoforms of the actin-binding protein profilin that differ in their affinity for phosphatidylinositol phosphates.
Proc.Natl.Acad.Sci.USA, 91, 1994
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8RB6
 | | Structure of Aldo-Keto Reductase 1C3 (AKR1C3) in complex with an inhibitor M689, with the 3-hydroxy-benzoisoxazole moiety. Resolution 2.0A | | 分子名称: | 1,2-ETHANEDIOL, 4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol, Aldo-keto reductase family 1 member C3, ... | | 著者 | Frydenvang, K, Mirza, O.A. | | 登録日 | 2023-12-03 | | 公開日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-guided optimization of 3-hydroxybenzoisoxazole derivatives as inhibitors of Aldo-keto reductase 1C3 (AKR1C3) to target prostate cancer.
Eur.J.Med.Chem., 268, 2024
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1AKC
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8QO3
 | | Conserved Structures and Dynamics in 5-Proximal Regions of Betacoronavirus RNA Genomes | | 分子名称: | RoBat-CoV-SL5 | | 著者 | Moura, T.R, Purta, E, Bernat, A, Baulin, E, Mukherjee, S, Bujnicki, J.M. | | 登録日 | 2023-09-28 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (6.6 Å) | | 主引用文献 | Conserved structures and dynamics in 5'-proximal regions of Betacoronavirus RNA genomes.
Nucleic Acids Res., 52, 2024
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8QME
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8QO5
 | | Conserved Structures and Dynamics in 5-Proximal Regions of Betacoronavirus RNA Genomes | | 分子名称: | SARS-CoV-2-SL5 | | 著者 | Moura, T.R, Purta, E, Bernat, A, Baulin, E, Mukherjee, S, Bujnicki, J.M. | | 登録日 | 2023-09-28 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (6.5 Å) | | 主引用文献 | Conserved structures and dynamics in 5'-proximal regions of Betacoronavirus RNA genomes.
Nucleic Acids Res., 52, 2024
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8QUK
 | | Hexameric HIV-1 CA in complex with DDD00100439 | | 分子名称: | (phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate, 1,2-ETHANEDIOL, 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 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.38 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, 19, 2024
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8QV4
 | | Hexameric HIV-1 CA in complex with DDD01728503 | | 分子名称: | 1,2-ETHANEDIOL, Spacer peptide 1, ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-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 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 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, 19, 2024
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