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6BSG
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BU of 6bsg by Molmil
Structure of HIV-1 RT complexed with RNA/DNA hybrid in an RNA hydrolysis-off mode
分子名称: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Tian, L, Kim, M, Yang, W.
登録日2017-12-03
公開日2018-01-03
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structure of HIV-1 reverse transcriptase cleaving RNA in an RNA/DNA hybrid.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6N34
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BU of 6n34 by Molmil
Crystal structure of the BTB domain of Human NS1-BP
分子名称: Influenza virus NS1A-binding protein
著者Zhang, K, Shang, G, Padavannil, A, Fontoura, B, Chook, Y.M.
登録日2018-11-14
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural-functional interactions of NS1-BP protein with the splicing and mRNA export machineries for viral and host gene expression.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YR2
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BU of 5yr2 by Molmil
Structure of cpGFP66BPA
分子名称: Green fluorescent protein
著者Wang, L, Kang, F, Wang, J.
登録日2017-11-08
公開日2019-01-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Structure of cpGFP66BPA
To Be Published
5YOK
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BU of 5yok by Molmil
Structure of HIV-1 Protease in Complex with Inhibitor KNI-1657
分子名称: (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, HIV-1 PROTEASE
著者Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y.
登録日2017-10-29
公開日2018-07-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
J. Med. Chem., 61, 2018
6NCO
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BU of 6nco by Molmil
Fragment-based Discovery of an apoE4 Stabilizer
分子名称: 1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide, Apolipoprotein E
著者Jakob, C.G, Qiu, W.
登録日2018-12-11
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.707 Å)
主引用文献Fragment-Based Discovery of an Apolipoprotein E4 (apoE4) Stabilizer.
J.Med.Chem., 62, 2019
3WMC
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BU of 3wmc by Molmil
Crystal structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with naphthalimide derivative Q2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, Beta-hexosaminidase
著者Chen, L, Zhou, Y, Chen, L, Yang, Q.
登録日2013-11-16
公開日2014-11-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献A crystal structure-guided rational design switching non-carbohydrate inhibitors' specificity between two beta-GlcNAcase homologs
Sci Rep, 4, 2014
6NYP
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BU of 6nyp by Molmil
Crystal structure of UL144/BTLA complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, B- and T-lymphocyte attenuator, GLYCEROL, ...
著者Aruna, B, Zajonc, D.M, Doukov, T.
登録日2019-02-11
公開日2019-05-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of human cytomegalovirus UL144, an HVEM orthologue, bound to the B and T cell lymphocyte attenuator.
J.Biol.Chem., 294, 2019
6CU6
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BU of 6cu6 by Molmil
Crystal structure of GMPPNP-bound G12R mutant of human KRAS4b
分子名称: GLYCEROL, GTPase KRas, MAGNESIUM ION, ...
著者Tran, T.H, Simanshu, D.K.
登録日2018-03-23
公開日2019-09-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Atypical KRASG12RMutant Is Impaired in PI3K Signaling and Macropinocytosis in Pancreatic Cancer.
Cancer Discov, 10, 2020
6NCN
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BU of 6ncn by Molmil
Fragment-based Discovery of an apoE4 Stabilizer
分子名称: 1-(3-chlorophenyl)cyclobutane-1-carboximidamide, Apolipoprotein E
著者Jakob, C.G, Qiu, W.
登録日2018-12-11
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Fragment-Based Discovery of an Apolipoprotein E4 (apoE4) Stabilizer.
J.Med.Chem., 62, 2019
3UBX
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BU of 3ubx by Molmil
Crystal structure of the mouse CD1d-C20:2-aGalCer-L363 mAb Fab complex
分子名称: (11Z,14Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yu, E.D, Zajonc, D.M.
登録日2011-10-25
公開日2011-11-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for the recognition of C20:2-alpha GalCer by the invariant natural killer T cell receptor-like antibody L363.
J.Biol.Chem., 287, 2012
5WNU
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BU of 5wnu by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
分子名称: (1R,2S,3S,4R,6R)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-alpha-L-altropyranosyl)-beta-L-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-allopyranoside, 16S Ribosomal RNA rRNA, 30S ribosomal protein S10, ...
著者DeMirci, H.
登録日2017-08-01
公開日2018-02-21
最終更新日2020-10-21
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献2'-O-methylation in mRNA disrupts tRNA decoding during translation elongation.
Nat. Struct. Mol. Biol., 25, 2018
6N3H
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BU of 6n3h by Molmil
Crystal structure of Kelch domain of the human NS1 binding protein
分子名称: Influenza virus NS1A-binding protein
著者Zhang, K, Shang, G, Padavannil, A, Fontoura, B.M.A, Chook, Y.M.
登録日2018-11-15
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural-functional interactions of NS1-BP protein with the splicing and mRNA export machineries for viral and host gene expression.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BSH
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BU of 6bsh by Molmil
Structure of HIV-1 RT complexed with RNA/DNA hybrid in the RNA hydrolysis mode
分子名称: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, CALCIUM ION, DNA (5'-D(*GP*TP*AP*TP*GP*CP*CP*AP*CP*TP*AP*GP*TP*TP*AP*TP*TP*GP*TP*GP*GP*CP*C)-3'), ...
著者Tian, L, Kim, M, Yang, W.
登録日2017-12-03
公開日2018-01-03
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.649 Å)
主引用文献Structure of HIV-1 reverse transcriptase cleaving RNA in an RNA/DNA hybrid.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5WNQ
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BU of 5wnq by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
分子名称: 16S Ribosomal RNA rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者DeMirci, H.
登録日2017-08-01
公開日2018-02-21
最終更新日2020-10-21
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献2'-O-methylation in mRNA disrupts tRNA decoding during translation elongation.
Nat. Struct. Mol. Biol., 25, 2018
5WJF
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BU of 5wjf by Molmil
Crystal structure of murine 4-1BB from HEK293T cells in P21212 space group
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor receptor superfamily member 9
著者Zajonc, D.M, Doukov, T, Bitra, A.
登録日2017-07-21
公開日2017-12-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of murine 4-1BB and its interaction with 4-1BBL support a role for galectin-9 in 4-1BB signaling.
J. Biol. Chem., 293, 2018
5Z8Q
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BU of 5z8q by Molmil
Solution structure of the SBDalpha domain of yeast Ssa1
分子名称: Heat shock protein SSA1
著者Gong, W, Hu, W, Perrett, S.
登録日2018-02-01
公開日2018-09-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The C-terminal GGAP motif of Hsp70 mediates substrate recognition and stress response in yeast.
J. Biol. Chem., 293, 2018
5Z8I
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BU of 5z8i by Molmil
Solution structure of the SBDbeta domain of yeast Ssa1
分子名称: Heat shock protein SSA1
著者Gong, W, Hu, W, Wu, H, Perrett, S.
登録日2018-01-31
公開日2018-09-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The C-terminal GGAP motif of Hsp70 mediates substrate recognition and stress response in yeast.
J. Biol. Chem., 293, 2018
4IRS
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BU of 4irs by Molmil
Structure of the mouse CD1d-PyrC-alpha-GalCer-iNKT TCR complex
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nemcovic, M, Zajonc, D.M.
登録日2013-01-15
公開日2013-09-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Enhanced TCR footprint by a novel glycolipid increases NKT-dependent tumor protection.
J.Immunol., 191, 2013
6BSJ
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BU of 6bsj by Molmil
Structure of HIV-1 RT complexed with an RNA/DNA hybrid sequence non-preferred for RNA hydrolysis
分子名称: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, CALCIUM ION, DNA (5'-D(*GP*TP*AP*TP*GP*CP*CP*TP*AP*TP*AP*GP*TP*TP*AP*TP*TP*GP*TP*GP*GP*CP*C)-3'), ...
著者Tian, L, Kim, M, Yang, W.
登録日2017-12-03
公開日2018-01-03
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure of HIV-1 reverse transcriptase cleaving RNA in an RNA/DNA hybrid.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BSI
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BU of 6bsi by Molmil
Structure of HIV-1 RT complexed with an RNA/DNA hybrid containing the polypurine-tract sequence
分子名称: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, CALCIUM ION, DNA (5'-D(*GP*TP*TP*TP*TP*TP*CP*TP*TP*TP*TP*GP*TP*TP*AP*TP*TP*GP*TP*GP*GP*CP*C)-3'), ...
著者Tian, L, Kim, M, Yang, W.
登録日2017-12-03
公開日2018-01-03
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structure of HIV-1 reverse transcriptase cleaving RNA in an RNA/DNA hybrid.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5ZVV
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BU of 5zvv by Molmil
Structure of SeMet-phAimR
分子名称: AimR transcriptional regulator, GLYCEROL
著者Cheng, W, Dou, C.
登録日2018-05-13
公開日2018-09-05
最終更新日2019-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
5ZW6
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BU of 5zw6 by Molmil
Structure of spAimR
分子名称: AimR transcriptional regulator, GLY-MET-PRO-ARG-GLY-ALA
著者Cheng, W, Dou, C.
登録日2018-05-14
公開日2018-09-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
3WMB
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BU of 3wmb by Molmil
Crystal structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with naphthalimide derivative Q1
分子名称: 2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase
著者Liu, T, Zhou, Y, Chen, L, Yang, Q.
登録日2013-11-16
公開日2014-11-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A crystal structure-guided rational design switching non-carbohydrate inhibitors' specificity between two beta-GlcNAcase homologs
Sci Rep, 4, 2014
5ZW5
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BU of 5zw5 by Molmil
Structure of SeMet-spAimR
分子名称: AimR transcriptional regulator
著者Cheng, W, Dou, C.
登録日2018-05-14
公開日2018-08-29
最終更新日2019-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
5ZVW
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BU of 5zvw by Molmil
Structure of phAimR-Ligand
分子名称: AimR transcriptional regulator, SER-ALA-ILE-ARG-GLY-ALA
著者Cheng, W, Dou, C.
登録日2018-05-13
公開日2018-09-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.292 Å)
主引用文献Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018

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