8T1S
 
 | | Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA with QSY deletion) heteromeric complex (bound to SAH) | | 分子名称: | Alpha-N-methyltransferase, Extradiol ring-cleavage dioxygenase LigAB LigA subunit domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | Crone, K.K, Jomori, T, Miller, F.S, Gralnick, J, Elias, M, Freeman, M.F. | | 登録日 | 2023-06-03 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | RiPP enzyme heterocomplex structure-guided discovery of a bacterial borosin alpha- N -methylated peptide natural product.
Rsc Chem Biol, 4, 2023
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8STR
 | | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a non-nucleoside inhibitor | | 分子名称: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT | | 著者 | Hollander, K, Chan, A.H, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-05-11 | | 公開日 | 2023-11-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
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8STU
 | | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-6-fluoroindolizine-2-carbonitrile (JLJ578), a non-nucleoside inhibitor | | 分子名称: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | | 著者 | Hollander, K, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-05-11 | | 公開日 | 2023-11-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
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8STV
 | | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600), a non-nucleoside inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, MAGNESIUM ION, ... | | 著者 | Hollander, K, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-05-11 | | 公開日 | 2023-11-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
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8STQ
 | | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600), a non-nucleoside inhibitor | | 分子名称: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | | 著者 | Hollander, K, Frey, K.M, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-05-11 | | 公開日 | 2023-11-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.955 Å) | | 主引用文献 | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
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8STS
 | | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a non-nucleoside inhibitor | | 分子名称: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | | 著者 | Hollander, K, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-05-11 | | 公開日 | 2023-11-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | | 主引用文献 | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
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8TH1
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8T0B
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8T1M
 | | Novel Domain of Unknown Function Solved with AlphaFold | | 分子名称: | DUF1842 domain-containing protein | | 著者 | Miller, J.E, Agdanowski, M.P, Cascio, D, Sawaya, M.R, Yeates, T.O. | | 登録日 | 2023-06-02 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | AlphaFold-assisted structure determination of a bacterial protein of unknown function using X-ray and electron crystallography.
Acta Crystallogr D Struct Biol, 80, 2024
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6FU5
 | | Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP18 | | 分子名称: | Receptor-interacting serine/threonine-protein kinase 2, ~{N}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide | | 著者 | Pinkas, D.M, Bufton, J.C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | 登録日 | 2018-02-26 | | 公開日 | 2018-04-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.26 Å) | | 主引用文献 | Small molecule inhibitors reveal an indispensable scaffolding role of RIPK2 in NOD2 signaling.
EMBO J., 37, 2018
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6FYW
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6G0S
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated SIRT7 peptide (K272ac/K275ac) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, NAD-dependent protein deacetylase sirtuin-7 | | 著者 | Filippakopoulos, P, Picaud, S, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | 登録日 | 2018-03-19 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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5LN5
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6G7D
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5LFS
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6G54
 | | Crystal structure of ERK2 covalently bound to SM1-71 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 1, ... | | 著者 | Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-03-29 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell Chem Biol, 26, 2019
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6FS0
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6FYS
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6G0O
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated ATRX peptide (K1030ac/K1033ac) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Transcriptional regulator ATRX | | 著者 | Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | 登録日 | 2018-03-19 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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6GD5
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5LFW
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6GES
 | | Crystal structure of ERK1 covalently bound to SM1-71 | | 分子名称: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 3, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, ... | | 著者 | Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-04-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell Chem Biol, 26, 2019
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6G0P
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated E2F1 peptide (K117ac/K120ac) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Transcription factor E2F1 | | 著者 | Filippakopoulos, P, Picaud, S, Krojer, T, Sorrell, F, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | 登録日 | 2018-03-19 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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6G6V
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6G8S
 | | [Ru(TAP)2(11,12-CN2-dppz)]2+ bound to d(CCGGACCCGG/CCGGGTCCGG)2 | | 分子名称: | BARIUM ION, DNA (5'-D(*CP*CP*GP*GP*AP*CP*CP*CP*GP*G)-3'), DNA (5'-D(*CP*CP*GP*GP*GP*TP*CP*CP*GP*G)-3'), ... | | 著者 | McQuaid, K.T, Hall, J.P, Cardin, C.J. | | 登録日 | 2018-04-09 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | X-ray Crystal Structures Show DNA Stacking Advantage of Terminal Nitrile Substitution in Ru-dppz Complexes.
Chemistry, 24, 2018
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