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6X47
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BU of 6x47 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ649), a Non-nucleoside Inhibitor
分子名称: 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-05-22
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.767 Å)
主引用文献Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site.
Protein Sci., 29, 2020
6X4E
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BU of 6x4e by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with methyl 2-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acetate (JLJ681), a Non-nucleoside Inhibitor
分子名称: Reverse transcriptase/ribonuclease H, SULFATE ION, methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate, ...
著者Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-05-22
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site.
Protein Sci., 29, 2020
6X4D
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BU of 6x4d by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(cyclopropylmethyl)-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile (JLJ678), a Non-nucleoside Inhibitor
分子名称: 5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, SULFATE ION, ...
著者Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-05-22
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site.
Protein Sci., 29, 2020
4EK2
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BU of 4ek2 by Molmil
The structure of nucleoside diphosphate kinase (NDK) from Burkholderia thailandensis bound to deoxyadenosine monophosphate
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-04-09
公開日2012-05-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
5GXQ
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BU of 5gxq by Molmil
The crystal structure of the nucleosome containing H3.6
分子名称: DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Taguchi, H, Xie, Y, Horikoshi, N, Kurumizaka, H.
登録日2016-09-19
公開日2017-04-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal Structure and Characterization of Novel Human Histone H3 Variants, H3.6, H3.7, and H3.8
Biochemistry, 56, 2017
2D32
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BU of 2d32 by Molmil
Crystal Structure of Michaelis Complex of gamma-Glutamylcysteine Synthetase
分子名称: CYSTEINE, GLUTAMIC ACID, Glutamate--cysteine ligase, ...
著者Hibi, T, Nakayama, M, Nii, H, Kurokawa, Y, Katano, H, Oda, J.
登録日2005-09-25
公開日2006-11-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis of efficient coupling peptide ligation and ATP hydrolysis by gamma-gluatamylcysteine synthetase
To be Published
2D33
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BU of 2d33 by Molmil
Crystal Structure of gamma-Glutamylcysteine Synthetase Complexed with Aluminum Fluoride
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CYSTEINE, ...
著者Hibi, T, Nakayama, M, Nii, H, Kurokawa, Y, Katano, H, Oda, J.
登録日2005-09-25
公開日2006-11-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of efficient coupling between peptide ligation and ATP hydrolysis by gamma-gluatamylcysteine synthetase
To be Published
1R6A
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BU of 1r6a by Molmil
Structure of the dengue virus 2'O methyltransferase in complex with s-adenosyl homocysteine and ribavirin 5' triphosphate
分子名称: Genome polyprotein, RIBAVIRIN MONOPHOSPHATE, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Benarroch, D, Egloff, M.P, Mulard, L, Romette, J.L, Canard, B.
登録日2003-10-15
公開日2004-09-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A structural basis for the inhibition of the NS5 dengue virus mRNA 2'-O-methyltransferase domain by ribavirin 5'-triphosphate.
J.Biol.Chem., 279, 2004
2EUD
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BU of 2eud by Molmil
Structures of Yeast Ribonucleotide Reductase I complexed with Ligands and Subunit Peptides
分子名称: GEMCITABINE DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Dealwis, C, Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J.
登録日2005-10-28
公開日2006-03-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of eukaryotic ribonucleotide reductase I define gemcitabine diphosphate binding and subunit assembly.
Proc.Natl.Acad.Sci.Usa, 103, 2006
9EGZ
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BU of 9egz by Molmil
RNA polymerase II-DSIF-SPT6-PAF1c-TFIIS-IWS1-SETD2-nucleosome, bp +27
分子名称: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB3, DNA-directed RNA polymerase II subunit RPB7, ...
著者Markert, J.W, Farnung, L.
登録日2024-11-21
公開日2024-12-18
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis of H3K36 trimethylation by SETD2 during chromatin transcription.
Science, 387, 2025
9EH0
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BU of 9eh0 by Molmil
RNA polymerase II-DSIF-SPT6-PAF1c-TFIIS-IWS1-SETD2-nucleosome, 30 bp upstream
分子名称: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB3, DNA-directed RNA polymerase II subunit RPB7, ...
著者Markert, J, Farnung, L.
登録日2024-11-21
公開日2024-12-18
最終更新日2025-02-12
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis of H3K36 trimethylation by SETD2 during chromatin transcription.
Science, 387, 2025
9EH2
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BU of 9eh2 by Molmil
RNA polymerase II-DSIF-SPT6-PAF1c-TFIIS-IWS1-SETD2-FACT nucleosome upstream
分子名称: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB3, DNA-directed RNA polymerase II subunit RPB7, ...
著者Markert, J, Farnung, L.
登録日2024-11-21
公開日2024-12-18
最終更新日2025-02-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis of H3K36 trimethylation by SETD2 during chromatin transcription.
Science, 387, 2025
6C6M
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BU of 6c6m by Molmil
IgCam3 of human MLCK1
分子名称: Myosin light chain kinase, smooth muscle
著者Zuccola, H.J, Turner, J.
登録日2018-01-19
公開日2019-01-23
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Intracellular MLCK1 diversion reverses barrier loss to restore mucosal homeostasis.
Nat. Med., 25, 2019
6WKR
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BU of 6wkr by Molmil
PRC2-AEBP2-JARID2 bound to H2AK119ub1 nucleosome
分子名称: DNA (314-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Kasinath, V, Nogales, E, Beck, C, Sauer, P, Poepsel, S, Kosmatka, J, Faini, M, Toso, D, Aebersold, R.
登録日2020-04-16
公開日2021-02-03
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献JARID2 and AEBP2 regulate PRC2 in the presence of H2AK119ub1 and other histone modifications.
Science, 371, 2021
3SLM
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BU of 3slm by Molmil
Crystal structure of the 2'- Deoxyguanosine riboswitch bound to 2'-deoxyguanosine-5'-monophosphate
分子名称: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, RNA (68-MER), ...
著者Pikovskaya, O, Polonskaia, A, Patel, D.J, Serganov, A.A.
登録日2011-06-24
公開日2011-08-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural principles of nucleoside selectivity in a 2'-deoxyguanosine riboswitch.
Nat.Chem.Biol., 7, 2011
6TX0
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BU of 6tx0 by Molmil
Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mg
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ...
著者Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A.
登録日2020-01-13
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
8S7C
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BU of 8s7c by Molmil
Ternary Complex of Cachd1, FZD5 and LRP6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-5, ...
著者Zhao, Y, Ren, J, Jones, E.Y.
登録日2024-02-29
公開日2024-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (4.7 Å)
主引用文献Cachd1 interacts with Wnt receptors and regulates neuronal asymmetry in the zebrafish brain.
Science, 384, 2024
3SKT
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BU of 3skt by Molmil
Crystal structure of the 2'- Deoxyguanosine riboswitch bound to 2'- Deoxyguanosine, manganese Soak
分子名称: 2'-DEOXY-GUANOSINE, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Pikovskaya, O, Polonskaia, A, Patel, D.J, Serganov, A.
登録日2011-06-23
公開日2011-08-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural principles of nucleoside selectivity in a 2'-deoxyguanosine riboswitch.
Nat.Chem.Biol., 7, 2011
3SKL
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BU of 3skl by Molmil
Crystal structure of the 2'- deoxyguanosine riboswitch bound to 2'-deoxyguanosine, iridium hexammine soak
分子名称: 2'-DEOXY-GUANOSINE, IRIDIUM HEXAMMINE ION, MAGNESIUM ION, ...
著者Pikovskaya, O, Polonskaia, A, Patel, D.J, Serganov, A.
登録日2011-06-22
公開日2011-08-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural principles of nucleoside selectivity in a 2'-deoxyguanosine riboswitch.
Nat.Chem.Biol., 7, 2011
3SKW
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BU of 3skw by Molmil
Crystal structure of the 2'- Deoxyguanosine riboswitch bound to 2'- Deoxyguanosine, cesium soak
分子名称: 2'-DEOXY-GUANOSINE, CESIUM ION, MAGNESIUM ION, ...
著者Pikovskaya, O, Polonskaia, A, Patel, D.J, Serganov, A.
登録日2011-06-23
公開日2011-08-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural principles of nucleoside selectivity in a 2'-deoxyguanosine riboswitch.
Nat.Chem.Biol., 7, 2011
8X30
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BU of 8x30 by Molmil
Structure of piccolo NuA4 and H2A.Z nucleosome 2:1 complex
分子名称: Chromatin modification-related protein, DNA (146-MER), Histone H2A, ...
著者Wang, L, Zhang, H, Zhu, H, Zhu, P.
登録日2023-11-10
公開日2025-03-19
最終更新日2025-04-02
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryo-EM structures reveal the acetylation process of piccolo NuA4.
Proc.Natl.Acad.Sci.USA, 122, 2025
3SKI
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BU of 3ski by Molmil
Crystal structure of the 2'- Deoxyguanosine riboswitch bound to 2'-deoxyguanosine
分子名称: 2'-DEOXY-GUANOSINE, MAGNESIUM ION, RNA (68-MER), ...
著者Pikovskaya, O, Polonskaia, A, Patel, D.J, Serganov, A.
登録日2011-06-22
公開日2011-08-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural principles of nucleoside selectivity in a 2'-deoxyguanosine riboswitch.
Nat.Chem.Biol., 7, 2011
6TXA
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BU of 6txa by Molmil
Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dGMPNPP and Mg
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ...
著者Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A, Kelly, G, Taylor, I.A.
登録日2020-01-13
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.853 Å)
主引用文献Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
6TXE
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BU of 6txe by Molmil
Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dTMPNPP and Mg
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A.
登録日2020-01-14
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
8T5K
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BU of 8t5k by Molmil
Crystal structure of STING CTD in complex with BDW-OH
分子名称: Stimulator of interferon genes protein, {[(4S)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetic acid
著者Li, Y, Li, P, Sun, D.
登録日2023-06-13
公開日2023-07-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Biological Evaluations of a Non-Nucleoside STING Agonist Specific for Human STING A230 Variants.
Biorxiv, 2023

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件を2025-07-09に公開中

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