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6MVK
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HCV NS5B 1b N316 bound to Compound 18
分子名称: (4-{(4S)-3-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-2-oxo-1,3-oxazolidin-4-yl}-2-fluorophenyl)boronic acid, HCV Polymerase
著者Williams, S.P, Kahler, K, Price, D.J, Peat, A.J.
登録日2018-10-26
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
7T0R
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BU of 7t0r by Molmil
Crystal structure of the anti-CD4 adnectin 6940_B01 as a complex with the extracellular domains of CD4 and ibalizumab fAb
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Adnectin 6940_B01, Ibalizumab Heavy Chain, ...
著者Williams, S.P, Concha, N.O, Wensel, D.L, Hong, X.
登録日2021-11-30
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment.
J.Mol.Biol., 434, 2021
4KB7
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HCV NS5B GT1B N316Y with CMPD 32
分子名称: 5-cyclopropyl-2-(4-fluorophenyl)-6-[{2-[(3R)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl]ethyl}(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, HCV Polymerase
著者Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日2013-04-23
公開日2013-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KHR
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BU of 4khr by Molmil
HCV NS5B GT1A C316Y with GSK5852
分子名称: NS5B RNA-dependent RNA polymerase, SULFATE ION, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
著者Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日2013-05-01
公開日2013-05-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KAI
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BU of 4kai by Molmil
HCV NS5B GT1B N316 with GSK5852A
分子名称: HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
著者Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日2013-04-22
公開日2013-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KE5
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BU of 4ke5 by Molmil
HCV NS5B GT1B N316Y with GSK5852
分子名称: HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
著者Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日2013-04-25
公開日2013-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KHM
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BU of 4khm by Molmil
HCV NS5B GT1A with GSK5852
分子名称: HCV Polymerase, SULFATE ION, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
著者Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日2013-04-30
公開日2013-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KBI
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BU of 4kbi by Molmil
HCV NS5B GT1B N316Y with CMPD 4
分子名称: 5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, HCV Polymerase
著者Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日2013-04-23
公開日2013-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
7UVF
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BU of 7uvf by Molmil
Crystal structure of ZED8 Fab complex with CD8 alpha
分子名称: CHLORIDE ION, GLYCEROL, Immunoglobulin heavy chain, ...
著者Yu, C, Davies, C, Koerber, J.T, Williams, S.
登録日2022-05-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Preclinical development of ZED8, an 89 Zr immuno-PET reagent for monitoring tumor CD8 status in patients undergoing cancer immunotherapy.
Eur J Nucl Med Mol Imaging, 50, 2023
4YQP
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BU of 4yqp by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 6-{[2-(morpholin-4-yl)benzyl]amino}pyridine-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Elkins, P.A, Bonnette, W.G, Madauss, K.P.
登録日2015-03-13
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4YQL
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BU of 4yql by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 4-amino-N-[(1S,2R)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Elkins, P.A, Bonnette, W.G, Madauss, K.P.
登録日2015-03-13
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4YQQ
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BU of 4yqq by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 6-{[2-(4-methylpiperazin-1-yl)benzyl]amino}pyridine-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Elkins, P.A, Bonnette, W.G, Stuckey, J.A.
登録日2015-03-13
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4YQI
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BU of 4yqi by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: (4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone, tRNA (guanine-N(1)-)-methyltransferase
著者Elkins, P.A, Bonnette, W.G, Madauss, K.P, Stuckey, J.A.
登録日2015-03-13
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4YQJ
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BU of 4yqj by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Elkins, P.A, Bonnette, W.G, Stuckey, J.A.
登録日2015-03-13
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4YQO
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BU of 4yqo by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 6-({[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl}amino)pyridine-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Elkins, P.A, Bonnette, W.G, Madauss, K.P.
登録日2015-03-13
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
1YMT
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BU of 1ymt by Molmil
Mouse SF-1 LBD
分子名称: 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL, Nuclear receptor 0B2, Steroidogenic factor 1
著者Krylova, I.N, Sablin, E.P, Moore, J, Xu, R.X, Waitt, G.M, Juzumiene, D, Bynum, J.M, Fletterick, R.J, Willson, T.M, Ingraham, H.A.
登録日2005-01-21
公開日2005-03-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1
Cell(Cambridge,Mass.), 120, 2005
8EW6
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BU of 8ew6 by Molmil
Anti-human CD8 VHH complex with CD8 alpha
分子名称: Anti-CD8 alpha VHH, T-cell surface glycoprotein CD8 alpha chain
著者Kiefer, J.R, Williams, S, Davies, C.W, Koerber, J.T, Sriraman, S.K, Yin, Y.P.
登録日2022-10-21
公開日2022-11-23
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Development of an 18 F-labeled anti-human CD8 VHH for same-day immunoPET imaging.
Eur J Nucl Med Mol Imaging, 50, 2023
3S1B
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BU of 3s1b by Molmil
The Development of Peptide-based Tools for the Analysis of Angiogenesis
分子名称: Vascular endothelial growth factor A, mini-Z
著者Murray, J.M, Wiesmann, C.
登録日2011-05-14
公開日2011-08-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The development of Peptide-based tools for the analysis of angiogenesis.
Chem.Biol., 18, 2011
3S1K
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BU of 3s1k by Molmil
The Development of Peptide-based Tools for the Analysis of Angiogenesis
分子名称: Vascular endothelial growth factor A, Z-domain
著者Murray, J.M, Wiesmann, C.
登録日2011-05-15
公開日2011-08-17
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The development of Peptide-based tools for the analysis of angiogenesis.
Chem.Biol., 18, 2011
3N00
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BU of 3n00 by Molmil
Crystal Structure of a deletion mutant of human Reverba ligand binding domain bound with an NCoR ID1 peptide determined to 2.60A
分子名称: Nuclear receptor corepressor 1, Rev-erbA-alpha
著者Gampe, R, Nolte, R.
登録日2010-05-13
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of Rev-erbalpha bound to N-CoR reveals a unique mechanism of nuclear receptor-co-repressor interaction.
Nat.Struct.Mol.Biol., 17, 2010
7T0O
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BU of 7t0o by Molmil
cryoEM reconstruction of the HIV gp140 in complex with the extracellular domains of CD4 and the adnectin domain of Combinectin. The gp140 and CD4 coordinates from entry 6EDU were rigid body fitted to the EM map along withe the crystal structure of CD4+adnectin
分子名称: Adnectin, BG505 SOSIP.664 gp140, T-cell surface glycoprotein CD4
著者Concha, N.O, William, S.P, Wenzel, D.L.
登録日2021-11-30
公開日2022-01-12
実験手法ELECTRON MICROSCOPY (8.7 Å)
主引用文献Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment.
J.Mol.Biol., 434, 2021
4YQN
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BU of 4yqn by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 6-{[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Elkins, P.A, Bonnette, W.G, Madauss, K.P.
登録日2015-03-13
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4YQK
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Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 4-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Elkins, P.A, Bonnette, W.G, Madauss, K.P, Stuckey, J.A.
登録日2015-03-13
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
1ILH
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BU of 1ilh by Molmil
Crystal Structure of Human Pregnane X Receptor Ligand Binding Domain Bound to SR12813
分子名称: ORPHAN NUCLEAR RECEPTOR PXR, [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
著者Watkins, R.E, Redinbo, M.R.
登録日2001-05-08
公開日2001-06-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity.
Science, 292, 2001
1ILG
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BU of 1ilg by Molmil
Crystal Structure of Apo Human Pregnane X Receptor Ligand Binding Domain
分子名称: ORPHAN NUCLEAR RECEPTOR PXR
著者Watkins, R.E, Redinbo, M.R.
登録日2001-05-08
公開日2001-06-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity.
Science, 292, 2001

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