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8STQ
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BU of 8stq by Molmil
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
6TPQ
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BU of 6tpq by Molmil
RNase M5 bound to 50S ribosome with precursor 5S rRNA
分子名称: 50S ribosomal protein L10, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Oerum, S, Dendooven, T, Gilet, L, Catala, M, Degut, C, Trinquier, A, Barraud, P, Luisi, B, Condon, C, Tisne, C.
登録日2019-12-13
公開日2020-09-30
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Structures of B. subtilis Maturation RNases Captured on 50S Ribosome with Pre-rRNAs.
Mol.Cell, 80, 2020
8STS
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BU of 8sts by Molmil
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
6H5H
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BU of 6h5h by Molmil
A computationally designed dRP lyase domain reconstructed from two heterologous fragments
分子名称: polb4
著者ElGamacy, M, Coles, M, Lupas, A.N.
登録日2018-07-24
公開日2018-12-12
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Asymmetric protein design from conserved supersecondary structures.
J. Struct. Biol., 204, 2018
8PJJ
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BU of 8pjj by Molmil
Cryo-EM structure of MLE in complex with SL7UUC RNA and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Dosage compensation regulator, SL7UUC RNA
著者Jagtap, P.K.A, Hennig, J.
登録日2023-06-23
公開日2023-11-22
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (4.24 Å)
主引用文献Structural basis of RNA-induced autoregulation of the DExH-type RNA helicase maleless.
Mol.Cell, 83, 2023
3TZD
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BU of 3tzd by Molmil
Crystal structure of the complex of Human Chromobox Homolog 3 (CBX3)
分子名称: Chromobox protein homolog 3, Histone H1.4
著者Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
登録日2011-09-27
公開日2012-03-07
最終更新日2013-01-23
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural basis of the chromodomain of Cbx3 bound to methylated peptides from histone h1 and G9a.
Plos One, 7, 2012
7OWG
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BU of 7owg by Molmil
human DEPTOR in a complex with mutant human mTORC1 A1459P
分子名称: DEP domain-containing mTOR-interacting protein, Regulatory-associated protein of mTOR, Serine/threonine-protein kinase mTOR, ...
著者Heimhalt, M, Berndt, A, Wagstaff, J, Anandapadamanaban, M, Perisic, O, Maslen, S, McLaughlin, S, Yu, W.-H, Masson, G.R, Boland, A, Ni, X, Yamashita, K, Murshudov, G.N, Skehel, M, Freund, S.M, Williams, R.L.
登録日2021-06-18
公開日2021-09-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Bipartite binding and partial inhibition links DEPTOR and mTOR in a mutually antagonistic embrace.
Elife, 10, 2021
7W5Z
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BU of 7w5z by Molmil
Cryo-EM structure of Tetrahymena thermophila mitochondrial complex IV, composite dimer model
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-oxoglutarate/malate carrier protein, CARDIOLIPIN, ...
著者Zhou, L, Maldonado, M, Padavannil, A, Letts, J.
登録日2021-11-30
公開日2022-04-06
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Structures of Tetrahymena 's respiratory chain reveal the diversity of eukaryotic core metabolism.
Science, 376, 2022
8T7T
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BU of 8t7t by Molmil
CryoEM structure of the HisRS-like domain of human GCN2
分子名称: eIF-2-alpha kinase GCN2
著者Yin, J.Z, Keszei, A.F.A, Mazhab-Jafari, M.T, Sicheri, F.
登録日2023-06-21
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献CryoEM structure of the HisRS-like domain of human GCN2
To Be Published
4I5H
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BU of 4i5h by Molmil
Crystal Structure of a Double Mutant Rat Erk2 Complexed With a Type II Quinazoline Inhibitor
分子名称: Mitogen-activated protein kinase 1, N-{3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide
著者Hari, S.B, Maly, D.J, Merritt, E.A.
登録日2012-11-28
公開日2013-07-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Sequence determinants of a specific inactive protein kinase conformation.
Chem.Biol., 20, 2013
4IA2
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BU of 4ia2 by Molmil
Diastereotopic and Deuterium Effects in Gemini
分子名称: 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ...
著者Maehr, H, Rochel, N, Suh, N, Uskokovic, M.
登録日2012-12-06
公開日2013-04-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Diastereotopic and deuterium effects in gemini.
J.Med.Chem., 56, 2013
7W80
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BU of 7w80 by Molmil
Crystal Structure of the Heterodimeric HIF-2 in Complex with Antagonist Belzutifan
分子名称: 3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
著者Ren, X, Diao, X, Zhuang, J, Wu, D.
登録日2021-12-07
公開日2022-09-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.754 Å)
主引用文献Structural basis for the allosteric inhibition of hypoxia-inducible factor (HIF)-2 by belzutifan.
Mol.Pharmacol., 2022
6HA1
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BU of 6ha1 by Molmil
Cryo-EM structure of a 70S Bacillus subtilis ribosome translating the ErmD leader peptide in complex with telithromycin
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Crowe-McAuliffe, C, Graf, M, Huter, P, Abdelshahid, M, Novacek, J, Wilson, D.N.
登録日2018-08-07
公開日2018-08-29
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for antibiotic resistance mediated by theBacillus subtilisABCF ATPase VmlR.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7WBN
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BU of 7wbn by Molmil
PDB structure of RevCC
分子名称: RevCC
著者Han, S, Kim, D, Kaur, M, Lim, Y.B, Barnwal, R.P.
登録日2021-12-17
公開日2022-10-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Pseudo-Isolated alpha-Helix Platform for the Recognition of Deep and Narrow Targets.
J.Am.Chem.Soc., 144, 2022
8SWC
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BU of 8swc by Molmil
RNase H complex with ASO (OOO) and RNA
分子名称: CALCIUM ION, PHOSPHATE ION, PO ASO, ...
著者Cho, Y.-J, Iwamoto, N.
登録日2023-05-18
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Crystal structure of RNase H/RNA/PO-ASO complex at an atomic level
To Be Published
7MSF
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BU of 7msf by Molmil
MS2 PROTEIN CAPSID/RNA COMPLEX
分子名称: 5'-R(*UP*CP*GP*CP*CP*AP*AP*CP*AP*GP*GP*CP*GP*G)-3', MS2 PROTEIN CAPSID
著者Rowsell, S, Stonehouse, N.J, Convery, M.A, Adams, C.J, Ellington, A.D, Hirao, I, Peabody, D.S, Stockley, P.G, Phillips, S.E.V.
登録日1998-05-20
公開日1998-11-11
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of a series of RNA aptamers complexed to the same protein target.
Nat.Struct.Biol., 5, 1998
8DKR
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BU of 8dkr by Molmil
Pseudomonas-phage E217 TerL nuclease domain
分子名称: Large terminase protein, MAGNESIUM ION
著者Cingolani, G, Lokareddy, R, Hou, D.
登録日2022-07-06
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Terminase Subunits from the Pseudomonas-Phage E217.
J.Mol.Biol., 434, 2022
6HTQ
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BU of 6htq by Molmil
Stringent response control by a bifunctional RelA enzyme in the presence and absence of the ribosome
分子名称: 16S rRNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Wilson, D.N, Abdelshahid, M.
登録日2018-10-04
公開日2019-10-23
最終更新日2020-09-30
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural Basis for Regulation of the Opposing (p)ppGpp Synthetase and Hydrolase within the Stringent Response Orchestrator Rel.
Cell Rep, 32, 2020
7WJG
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BU of 7wjg by Molmil
Streptococcus mutans BusR transcriptional factor
分子名称: CITRIC ACID, Putative transcriptional regulator (GntR family)
著者Li, X, Liu, N.
登録日2022-01-06
公開日2023-01-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural study of transcriptional factor BusR
To Be Published
2QNP
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BU of 2qnp by Molmil
HIV-1 Protease in complex with a iodo decorated pyrrolidine-based inhibitor
分子名称: CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide]
著者Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-07-19
公開日2008-04-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
J.Med.Chem., 51, 2008
8U6G
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BU of 8u6g by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-(2-(3-acryloyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethoxy)-4-chlorophenoxy)-5-chlorobenzonitrile (JLJ744), a non-nucleoside inhibitor
分子名称: 3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
著者Prucha, G, Carter, Z, Jorgensen, W.L, Anderson, K.S.
登録日2023-09-13
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
8U6B
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BU of 8u6b by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenethyl)acrylamide (JLJ731), a non-nucleoside inhibitor
分子名称: N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}prop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT
著者Hollander, K, Henry, S, Jorgensen, W.L, Anderson, K.S.
登録日2023-09-13
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
8U6P
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BU of 8u6p by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)-N,N-dimethylpropanamide (JLJ754), a non-nucleoside inhibitor
分子名称: 3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide, MAGNESIUM ION, PHOSPHATE ION, ...
著者Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S.
登録日2023-09-13
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
8U6Q
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BU of 8u6q by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 8-(2-(3-oxo-3-(pyrrolidin-1-yl)propoxy)phenoxy)indolizine-2-carbonitrile (JLJ755), a non-nucleoside inhibitor
分子名称: (4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S.
登録日2023-09-13
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
8U6A
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BU of 8u6a by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (JLJ729), a non-nucleoside inhibitor
分子名称: N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT
著者Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S.
登録日2023-09-13
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023

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件を2024-09-11に公開中

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