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8STT
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Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) varient in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor
分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-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 (2.62 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
8SZC
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Heterodimeric ABC transporter BmrCD in the inward-facing conformation bound to substrate and ATP: BmrCD_IF-1HT/ATP
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Tang, Q, Mchaourab, H.
登録日2023-05-29
公開日2023-11-15
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Asymmetric conformations and lipid interactions shape the ATP-coupled cycle of a heterodimeric ABC transporter.
Nat Commun, 14, 2023
8STW
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K384N HUMAN CYSTATHIONINE BETA-SYNTHASE (delta 411-551)
分子名称: Cystathionine beta-synthase, K384N variant, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Mascarenhas, R, Roman, J, Banerjee, R.
登録日2023-05-11
公開日2023-11-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Disease-causing cystathionine beta-synthase linker mutations impair allosteric regulation.
J.Biol.Chem., 299, 2023
8SM3
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Structure of Bacillus cereus VD045 Gabija GajA-GajB Complex
分子名称: Endonuclease GajA, Gabija protein GajB, SULFATE ION
著者Antine, S.P, Mooney, S.E, Johnson, A.G, Kranzusch, P.J.
登録日2023-04-25
公開日2023-11-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis of Gabija anti-phage defence and viral immune evasion.
Nature, 625, 2024
8T1T
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BU of 8t1t by Molmil
Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA with QSY deletion) heteromeric complex (bound to SAM)
分子名称: Alpha-N-methyltransferase (SonM), RiPP precursor (SonA), S-ADENOSYLMETHIONINE, ...
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 (1.55 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
8SPB
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Caspase-4/Pro-IL-18 complex
分子名称: Caspase-4 subunit p10, Caspase-4 subunit p20, Interleukin-18
著者Pascal, D, Dong, Y, Wu, H, Jon, K.
登録日2023-05-02
公開日2023-11-22
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into cytokine cleavage by inflammatory caspase-4.
Nature, 624, 2023
8S9E
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Solution structure of jarastatin (rJast), a disintegrin from Bothrops jararaca
分子名称: Disintegrin jarastatin
著者Vasconcelos, A.A, Estrada, J.E.C, Zingali, R.B, Almeida, F.C.L.
登録日2023-03-28
公開日2023-11-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Toward the mechanism of jarastatin (rJast) inhibition of the integrin alpha V beta 3.
Int.J.Biol.Macromol., 255, 2024
8STP
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BU of 8stp by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor
分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT
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 (3.09 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
8STR
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BU of 8str 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)-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
8T1S
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BU of 8t1s by Molmil
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
5WRH
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FlgG structure based on the CryoEM map of the bacterial flagellar polyrod
分子名称: Flagellar basal-body rod protein FlgG
著者Fujii, T, Namba, K.
登録日2016-12-02
公開日2017-02-08
実験手法ELECTRON MICROSCOPY (7.4 Å)
主引用文献Identical folds used for distinct mechanical functions of the bacterial flagellar rod and hook.
Nat Commun, 8, 2017
8STU
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BU of 8stu by Molmil
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
7C39
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BU of 7c39 by Molmil
Crystal structure of AofleA from Arthrobotrys oligospora in complex with methylated L-fucose
分子名称: AoflcA, CITRIC ACID, GLYCEROL, ...
著者Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M.
登録日2020-05-11
公開日2020-07-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 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
8STV
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BU of 8stv by Molmil
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
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
8SU8
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BU of 8su8 by Molmil
Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-(furan-2-yl)-2-hydroxy-1-naphthaldehyde).
分子名称: (6P)-6-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
著者Bruystens, J.G.H.
登録日2023-05-11
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Acs Pharmacol Transl Sci, 6, 2023
8SYJ
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BU of 8syj by Molmil
Structure of apurinic/apyrimidinic DNA lyase TK0353 from Thermococcus kodakarensis (Iodide crystal form)
分子名称: GLYCEROL, IODIDE ION, SULFATE ION, ...
著者Eckenroth, B.E, Gardner, A.F, Doublie, S.
登録日2023-05-25
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Thermococcus kodakarensis TK0353 is a novel AP lyase with a new fold.
J.Biol.Chem., 300, 2023
8SPC
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BU of 8spc by Molmil
Crystal structure of the cytochrome P450 enzyme RufO
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome P450, ...
著者Dratch, B.D, Davis, K.M.
登録日2023-05-02
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.871 Å)
主引用文献Insights into Substrate Recognition by the Unusual Nitrating Enzyme RufO.
Acs Chem.Biol., 18, 2023
8T09
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BU of 8t09 by Molmil
Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-ethynyl-2-hydroxy-1-naphthaldehyde)
分子名称: 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
著者Bruystens, J.G.H.
登録日2023-05-31
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Acs Pharmacol Transl Sci, 6, 2023
8SJ5
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BU of 8sj5 by Molmil
Walnut Tree Phytocystatin
分子名称: Cysteine proteinase inhibitor
著者Valadares, N.F.
登録日2023-04-17
公開日2023-12-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure and interconversion of monomers and domain-swapped dimers of the walnut tree phytocystatin.
Biochim Biophys Acta Proteins Proteom, 1872, 2023
8SF6
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BU of 8sf6 by Molmil
Promiscuous amino acid gamma synthase from Caldicellulosiruptor hydrothermalis in closed conformation
分子名称: 2-(2-ETHOXYETHOXY)ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
著者Buller, A.R, Zmich, A.P, Bingman, C.A.
登録日2023-04-10
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Multiplexed Assessment of Promiscuous Non-Canonical Amino Acid Synthase Activity in a Pyridoxal Phosphate-Dependent Protein Family.
Acs Catalysis, 13, 2023
8STD
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BU of 8std by Molmil
S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with authentic substrate NaAD and soaked with CS2
分子名称: MAGNESIUM ION, NICOTINIC ACID ADENINE DINUCLEOTIDE, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase
著者Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P.
登録日2023-05-10
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of the LarB-Substrate Complex and Identification of a Reaction Intermediate during Nickel-Pincer Nucleotide Cofactor Biosynthesis.
Biochemistry, 62, 2023
8SOQ
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S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with authentic substrate NaAD
分子名称: MAGNESIUM ION, NICOTINIC ACID ADENINE DINUCLEOTIDE, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase
著者Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P.
登録日2023-04-29
公開日2023-12-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the LarB-Substrate Complex and Identification of a Reaction Intermediate during Nickel-Pincer Nucleotide Cofactor Biosynthesis.
Biochemistry, 62, 2023
8SPZ
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Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with dioctanoyl phosphatidylserine
分子名称: Apoptosis regulator BAX, SULFATE ION
著者Cowan, A.D, Colman, P.M, Czabotar, P.E, Miller, M.S.
登録日2023-05-04
公開日2023-12-27
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024

223790

件を2024-08-14に公開中

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