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8TLZ
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Preclinical Characterization of Pan-NKG2D Ligand-Binding NKG2D Receptor Decoys
分子名称: (2S)-2-hydroxybutanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Rupert, P.B, Strong, R.
登録日2023-07-27
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Preclinical characterization of Pan-NKG2D ligand-binding NKG2D receptor decoys.
Heliyon, 10, 2024
9AVQ
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BU of 9avq by Molmil
Crystal structure of SARS-CoV-2 main protease A191T mutant in complex with an inhibitor Nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER
著者Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H.
登録日2024-03-04
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors
To Be Published
8UKQ
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BU of 8ukq by Molmil
RNA polymerase II elongation complex with Fapy-dG lesion in apo state
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
著者Hou, P, Oh, J, Wang, D.
登録日2023-10-15
公開日2024-04-24
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Molecular Mechanism of RNA Polymerase II Transcriptional Mutagenesis by the Epimerizable DNA Lesion, Fapy·dG.
J.Am.Chem.Soc., 146, 2024
8TM0
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BU of 8tm0 by Molmil
Preclinical Characterization of Pan-NKG2D Ligand-Binding NKG2D Receptor Decoys
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, MHC class I polypeptide-related sequence A, ...
著者Rupert, P.B, Strong, R.
登録日2023-07-27
公開日2024-04-17
実験手法X-RAY DIFFRACTION (3.83 Å)
主引用文献Preclinical characterization of Pan-NKG2D ligand-binding NKG2D receptor decoys.
Heliyon, 10, 2024
3ECY
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BU of 3ecy by Molmil
Crystal structural analysis of Drosophila melanogaster dUTPase
分子名称: CG4584-PA, isoform A (BcDNA.LD08534)
著者Takacs, E, Barabas, O, Vertessy, B.G.
登録日2008-09-02
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Molecular shape and prominent role of beta-strand swapping in organization of dUTPase oligomers.
Febs Lett., 583, 2009
9FFG
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BU of 9ffg by Molmil
Empty capsid of Rhodobacter microvirus Ebor computed with I4 symmetry
分子名称: Major capsid protein
著者Bardy, P, MacDonald, C.I.W, Jenkins, H.T, Byrom, L, Chechik, M, Hart, S.J, Turkenburg, J.P, Blaza, J.N, Fogg, P.C.M, Antson, A.A.
登録日2024-05-23
公開日2024-06-12
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献A stargate mechanism of Microviridae genome delivery unveiled by cryogenic electron tomography.
Biorxiv, 2024
7NEO
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BU of 7neo by Molmil
Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 15
分子名称: 2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Talibov, V.O.
登録日2021-02-04
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
7NBT
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BU of 7nbt by Molmil
Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 21
分子名称: 2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Talibov, V.O.
登録日2021-01-27
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
3E51
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BU of 3e51 by Molmil
Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor
分子名称: N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase
著者Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R.
登録日2008-08-12
公開日2009-08-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents.
Bioorg.Med.Chem.Lett., 18, 2008
3EGT
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BU of 3egt by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-722
分子名称: 1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION
著者Cao, R, Gao, Y, Robinson, H, Oldfield, E.
登録日2008-09-11
公開日2009-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
3EHH
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BU of 3ehh by Molmil
Crystal structure of DesKC-H188V in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Sensor kinase (YocF protein)
著者Albanesi, D, Alzari, P.M, Buschiazzo, A.
登録日2008-09-12
公開日2009-09-15
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural plasticity and catalysis regulation of a thermosensor histidine kinase
Proc.Natl.Acad.Sci.USA, 106, 2009
8JJ8
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BU of 8jj8 by Molmil
Cryo-EM structure of the beta2AR-mBRIL/1b3 Fab/Glue complex with a partial agonist
分子名称: Beta-2 adrenergic receptor,Soluble cytochrome b562, ~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide
著者He, B.B, Zhong, Y.X, Guo, Q, Tao, Y.Y.
登録日2023-05-29
公開日2023-09-06
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
3EFQ
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BU of 3efq by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-714
分子名称: 1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION
著者Cao, R, Gao, Y, Robinson, H, Oldfield, E.
登録日2008-09-09
公開日2009-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
3EK2
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BU of 3ek2 by Molmil
Crystal structure of eonyl-(acyl carrier protein) reductase from burkholderia pseudomallei 1719b
分子名称: CHLORIDE ION, Enoyl-(Acyl-carrier-protein) reductase (NADH)
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-09-18
公開日2008-09-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3EJ2
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BU of 3ej2 by Molmil
Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound 5-amino-1-(4-chlorophenyl)-1h-pyrazole-4-carbonitrile, H32 crystal form
分子名称: 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile, Inorganic pyrophosphatase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-09-17
公開日2008-09-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3EQ3
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BU of 3eq3 by Molmil
Model of tRNA(Trp)-EF-Tu in the ribosomal pre-accommodated state revealed by cryo-EM
分子名称: 30S ribosomal protein S12, 50S ribosomal protein L11, Elongation factor Tu, ...
著者Frank, J, Li, W, Agirrezabala, X.
登録日2008-09-30
公開日2008-12-16
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Recognition of aminoacyl-tRNA: a common molecular mechanism revealed by cryo-EM.
Embo J., 27, 2008
3EQV
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BU of 3eqv by Molmil
Crystal structure of penicillin-binding protein 2 from Neisseria gonorrhoeae containing four mutations associated with penicillin resistance
分子名称: GLYCEROL, Penicillin-binding protein 2, SULFATE ION
著者Powell, A.J, Deacon, A.M, Nicholas, R.A, Davies, C.
登録日2008-10-01
公開日2008-10-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of Penicillin-binding Protein 2 from Penicillin-susceptible and -resistant Strains of Neisseria gonorrhoeae Reveal an Unexpectedly Subtle Mechanism for Antibiotic Resistance.
J.Biol.Chem., 284, 2009
3F7P
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BU of 3f7p by Molmil
Crystal structure of a complex between integrin beta4 and plectin
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者de Pereda, J.M.
登録日2008-11-10
公開日2009-03-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis of the interaction between integrin alpha6beta4 and plectin at the hemidesmosomes
Embo J., 28, 2009
2BTF
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BU of 2btf by Molmil
THE STRUCTURE OF CRYSTALLINE PROFILIN-BETA-ACTIN
分子名称: ADENOSINE-5'-TRIPHOSPHATE, BETA-ACTIN, PROFILIN, ...
著者Schutt, C.E, Myslik, J.C, Rozycki, M.D, Goonesekere, N.C.W.
登録日1994-01-18
公開日1994-06-22
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The structure of crystalline profilin-beta-actin.
Nature, 365, 1993
7O46
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BU of 7o46 by Molmil
Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 17
分子名称: 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5
著者Talibov, V.O.
登録日2021-04-05
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
3F7Q
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BU of 3f7q by Molmil
First pair of Fibronectin type III domains and part of the connecting segment of the integrin beta4
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者de Pereda, J.M.
登録日2008-11-10
公開日2009-03-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of the interaction between integrin alpha6beta4 and plectin at the hemidesmosomes
Embo J., 28, 2009
4XZ2
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BU of 4xz2 by Molmil
Human platelet phosphofructokinase in an R-state in complex with ADP and F6P, crystal form I
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, ...
著者Kloos, M, Strater, N.
登録日2015-02-03
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Crystal structure of human platelet phosphofructokinase-1 locked in an activated conformation.
Biochem.J., 469, 2015
6N4C
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BU of 6n4c by Molmil
EM structure of the DNA wrapping in bacterial open transcription initiation complex
分子名称: DNA (94-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Florez-Ariza, A, Cassago, A, de Oliveira, P.S.L, Guerra, D.G, Portugal, R.V.
登録日2018-11-19
公開日2020-05-27
実験手法ELECTRON MICROSCOPY (17 Å)
主引用文献Interactions of Upstream and Downstream Promoter Regions with RNA Polymerase are Energetically Coupled and a Target of Regulation in Transcription Initiation
Biorxiv, 2020
3F0F
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Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with hydrolyzed CDP
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-10-24
公開日2008-11-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
8B3X
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BU of 8b3x by Molmil
High resolution crystal structure of dimeric SUDV VP40
分子名称: Matrix protein VP40
著者Werner, A.-D, Norris, M, Saphire, E.O, Becker, S.
登録日2022-09-17
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.531 Å)
主引用文献The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications.
Structure, 31, 2023

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