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4NNH
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Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide
分子名称: 30S ribosomal protein S1
著者Yang, J, Liu, Y, Cai, Q, Lin, D.
登録日2013-11-18
公開日2014-12-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide.
Mol.Microbiol., 95, 2015
8HRD
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BU of 8hrd by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant in complex with IMCAS74 Fab and W14 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS74 Fab heavy chain, IMCAS74 Fab light chain, ...
著者Zhao, R.C, Wu, L.L, Han, P.
登録日2022-12-15
公開日2023-12-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4N80
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BU of 4n80 by Molmil
Crystal structure of Tse3-Tsi3 complex
分子名称: CALCIUM ION, Uncharacterized protein, ZINC ION
著者Shang, G.J.
登録日2013-10-16
公開日2014-04-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
2ZO1
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BU of 2zo1 by Molmil
Mouse NP95 SRA domain DNA specific complex 2
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*DGP*DTP*DCP*DAP*DGP*(5CM)P*DGP*DCP*DAP*DAP*DTP*DGP*DG)-3'), DNA (5'-D(*DTP*DCP*DCP*DAP*DTP*DGP*DCP*DGP*DCP*DTP*DGP*DAP*DC)-3'), ...
著者Hashimoto, H, Horton, J.R, Cheng, X.
登録日2008-05-05
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The SRA domain of UHRF1 flips 5-methylcytosine out of the DNA helix
Nature, 455, 2008
1AQL
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CRYSTAL STRUCTURE OF BOVINE BILE-SALT ACTIVATED LIPASE COMPLEXED WITH TAUROCHOLATE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BILE-SALT ACTIVATED LIPASE, TAUROCHOLIC ACID
著者Wang, X, Zhang, X.
登録日1997-07-30
公開日1998-08-05
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of bovine bile salt activated lipase: insights into the bile salt activation mechanism.
Structure, 5, 1997
2ZO2
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BU of 2zo2 by Molmil
Mouse NP95 SRA domain non-specific DNA complex
分子名称: DNA (5'-D(*DAP*DAP*DCP*DTP*DGP*DCP*DGP*DCP*DAP*DGP*DTP*DT)-3'), E3 ubiquitin-protein ligase UHRF1, PHOSPHATE ION
著者Hashimoto, H, Horton, J.R, Cheng, X.
登録日2008-05-05
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献The SRA domain of UHRF1 flips 5-methylcytosine out of the DNA helix
Nature, 455, 2008
2ZO0
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BU of 2zo0 by Molmil
mouse NP95 SRA domain DNA specific complex 1
分子名称: DNA (5'-D(*DGP*DTP*DCP*DAP*DGP*(5CM)P*DGP*DCP*DAP*DAP*DTP*DGP*DG)-3'), DNA (5'-D(*DTP*DCP*DCP*DAP*DTP*DGP*DCP*DGP*DCP*DTP*DGP*DAP*DC)-3'), E3 ubiquitin-protein ligase UHRF1
著者Hashimoto, H, Horton, J.R, Cheng, X.
登録日2008-05-05
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The SRA domain of UHRF1 flips 5-methylcytosine out of the DNA helix
Nature, 455, 2008
3B7B
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BU of 3b7b by Molmil
EuHMT1 (Glp) Ankyrin Repeat Domain (Structure 1)
分子名称: Euchromatic histone-lysine N-methyltransferase 1, SULFATE ION
著者Collins, R.E, Horton, J.R, Cheng, X.
登録日2007-10-30
公開日2008-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献The ankyrin repeats of G9a and GLP histone methyltransferases are mono- and dimethyllysine binding modules
Nat.Struct.Mol.Biol., 15, 2008
3B95
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BU of 3b95 by Molmil
EuHMT1 (Glp) Ankyrin Repeat Domain (Structure 2)
分子名称: Euchromatic histone-lysine N-methyltransferase 1, Histone H3 N-terminal Peptide, SULFATE ION
著者Collins, R.E, Horton, J.R, Cheng, X.
登録日2007-11-02
公開日2008-02-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献The ankyrin repeats of G9a and GLP histone methyltransferases are mono- and dimethyllysine binding modules.
Nat.Struct.Mol.Biol., 15, 2008
6LJS
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BU of 6ljs by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(2-phenylphenyl)amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJU
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BU of 6lju by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
8X5D
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BU of 8x5d by Molmil
The cryo-EM structure of the Mycobacterium tuberculosis CRISPR-Csm complex
分子名称: CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm5, Csm2, ...
著者Liu, M.X, Li, Z.K.
登録日2023-11-17
公開日2024-03-06
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Type-III-A structure of mycobacteria CRISPR-Csm complexes involving atypical crRNAs.
Int.J.Biol.Macromol., 260, 2024
6A0Q
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BU of 6a0q by Molmil
The crystal structure of Lpg2622_E64 complex
分子名称: Lpg2622, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
著者Gong, X, Ge, H.
登録日2018-06-06
公開日2018-09-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural characterization of the hypothetical protein Lpg2622, a new member of the C1 family peptidases from Legionella pneumophila
FEBS Lett., 592, 2018
2QRV
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BU of 2qrv by Molmil
Structure of Dnmt3a-Dnmt3L C-terminal domain complex
分子名称: DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE
著者Jia, D, Cheng, X.
登録日2007-07-29
公開日2007-12-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure of Dnmt3a bound to Dnmt3L suggests a model for de novo DNA methylation.
Nature, 449, 2007
3L9M
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BU of 3l9m by Molmil
Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18
分子名称: (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Huang, X.
登録日2010-01-05
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
7Y9N
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BU of 7y9n by Molmil
an engineered 5-helix bundle derived from SARS-CoV-2 S2 in complex with HR2P
分子名称: SARS-coV-2 S2 subunit, Spike protein S2',5HB-H2
著者Lu, G.W, Lin, X, Guo, L.Y, Lin, S.
登録日2022-06-25
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献An engineered 5-helix bundle derived from SARS-CoV-2 S2 pre-binds sarbecoviral spike at both serological- and endosomal-pH to inhibit virus entry.
Emerg Microbes Infect, 11, 2022
3L9N
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BU of 3l9n by Molmil
crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27
分子名称: (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Huang, X.
登録日2010-01-05
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
3L9L
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BU of 3l9l by Molmil
Crystal structure of pka with compound 36
分子名称: 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Huang, X.
登録日2010-01-05
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
1P5J
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BU of 1p5j by Molmil
Crystal Structure Analysis of Human Serine Dehydratase
分子名称: L-serine dehydratase, PYRIDOXAL-5'-PHOSPHATE
著者Sun, L, Liu, Y, Rao, Z.
登録日2003-04-27
公開日2004-06-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystallization and preliminary crystallographic analysis of human serine dehydratase.
Acta Crystallogr.,Sect.D, 59, 2003
6J6K
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BU of 6j6k by Molmil
Apo-state streptavidin
分子名称: Streptavidin
著者Fan, X, Wang, J, Lei, J.L, Wang, H.W.
登録日2019-01-15
公開日2019-05-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Single particle cryo-EM reconstruction of 52 kDa streptavidin at 3.2 Angstrom resolution.
Nat Commun, 10, 2019
6J6J
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BU of 6j6j by Molmil
Biotin-bound streptavidin
分子名称: BIOTIN, Streptavidin
著者Fan, X, Wang, J, Lei, J.L, Wang, H.W.
登録日2019-01-15
公開日2019-05-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Single particle cryo-EM reconstruction of 52 kDa streptavidin at 3.2 Angstrom resolution.
Nat Commun, 10, 2019
6PBD
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BU of 6pbd by Molmil
DNA N6-Adenine Methyltransferase CcrM In Complex with Double-Stranded DNA Oligonucleotide Containing Its Recognition Sequence GAATC
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*TP*CP*AP*AP*TP*GP*AP*AP*TP*CP*CP*CP*AP*AP*G)-3'), DNA (5'-D(*GP*CP*TP*TP*GP*GP*GP*AP*TP*TP*CP*AP*TP*TP*GP*AP*AP*TP*C)-3'), ...
著者Horton, J.R, Cheng, X, Woodcock, C.B.
登録日2019-06-13
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.343 Å)
主引用文献The cell cycle-regulated DNA adenine methyltransferase CcrM opens a bubble at its DNA recognition site.
Nat Commun, 10, 2019
5NSS
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BU of 5nss by Molmil
Cryo-EM structure of RNA polymerase-sigma54 holoenzyme with promoter DNA and transcription activator PspF intermedate complex
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta',DNA-directed RNA polymerase subunit beta',DNA-directed RNA polymerase subunit beta', ...
著者Glyde, R, Ye, F.Z, Darbari, V.C, Zhang, N, Buck, M, Zhang, X.D.
登録日2017-04-26
公開日2017-06-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献Structures of RNA Polymerase Closed and Intermediate Complexes Reveal Mechanisms of DNA Opening and Transcription Initiation.
Mol. Cell, 67, 2017
5NSR
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BU of 5nsr by Molmil
Cryo-EM structure of RNA polymerase-sigma54 holo enzyme with promoter DNA closed complex
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Glyde, R, Ye, F.Z, Darbari, V.C, Zhang, N, Buck, M, Zhang, X.D.
登録日2017-04-26
公開日2017-06-28
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structures of RNA Polymerase Closed and Intermediate Complexes Reveal Mechanisms of DNA Opening and Transcription Initiation.
Mol. Cell, 67, 2017
8IGN
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Crystal structure of SARS-CoV-2 main protease in complex with RAY1216
分子名称: (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024

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