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7TW8
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BU of 7tw8 by Molmil
Structure of nsp14 N7-MethylTransferase domain fused with TELSAM bound to SAH
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, Transcription factor ETV6,Proofreading exoribonuclease nsp14 chimera, ZINC ION
著者Kottur, J, Aggarwal, A.K.
登録日2022-02-06
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献High-resolution structures of the SARS-CoV-2 N7-methyltransferase inform therapeutic development.
Nat.Struct.Mol.Biol., 29, 2022
6NHB
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BU of 6nhb by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(5-(2-((2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(5-{2-[(2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2018-12-21
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
7NMO
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BU of 7nmo by Molmil
Crystal structure of beta-2-microglobulin D76A mutant
分子名称: Beta-2-microglobulin
著者Guthertz, N.
登録日2021-02-23
公開日2022-08-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The effect of mutation on an aggregation-prone protein: An in vivo, in vitro, and in silico analysis.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Q3I
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BU of 7q3i by Molmil
Human Transthyretin expressed in Vibrio natriegens
分子名称: Transthyretin
著者Hild Walett, O, Hammarstrom, P.
登録日2021-10-27
公開日2022-11-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Human Transthyretin expressed in Vibrio natriegens
To Be Published
5E9V
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BU of 5e9v by Molmil
Crystal structure of BRD9 bromodomain in complex with an indolizine ligand
分子名称: 1,2-ETHANEDIOL, 1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone, Bromodomain-containing protein 9
著者Tallant, C, Hay, D.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Schofield, C.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S.
登録日2015-10-15
公開日2015-10-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of BRD9 bromodomain in complex with an indolizine ligand
To Be Published
7TW7
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BU of 7tw7 by Molmil
Structure of nsp14 N7-MethylTransferase domain fused with TELSAM bound to SAM
分子名称: S-ADENOSYLMETHIONINE, Transcription factor ETV6,Proofreading exoribonuclease nsp14 chimera, ZINC ION
著者Kottur, J, Aggarwal, A.K.
登録日2022-02-06
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献High-resolution structures of the SARS-CoV-2 N7-methyltransferase inform therapeutic development.
Nat.Struct.Mol.Biol., 29, 2022
5HS1
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BU of 5hs1 by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) complexed with Voriconazole
分子名称: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole
著者Sabherwal, M, Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C.
登録日2016-01-24
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
5EA1
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BU of 5ea1 by Molmil
Crystal Structure of SMARCA4 bromodomain in complex with MPD
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Transcription activator BRG1
著者Lolli, G, Caflisch, A.
登録日2015-10-15
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography.
Acs Chem.Biol., 11, 2016
7NMR
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BU of 7nmr by Molmil
Crystal structure of beta-2-microglobulin D76S mutant
分子名称: Beta-2-microglobulin, GLYCEROL
著者Guthertz, N.
登録日2021-02-23
公開日2022-08-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献The effect of mutation on an aggregation-prone protein: An in vivo, in vitro, and in silico analysis.
Proc.Natl.Acad.Sci.USA, 119, 2022
5HLB
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BU of 5hlb by Molmil
E. coli PBP1b in complex with acyl-aztreonam and moenomycin
分子名称: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, MOENOMYCIN, Penicillin-binding protein 1B
著者King, D.T, Strynadka, N.C.J.
登録日2016-01-14
公開日2016-12-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Escherichia coli Penicillin-Binding Protein 1B: Structural Insights into Inhibition.
J. Biol. Chem., 2016
7NMT
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BU of 7nmt by Molmil
Crystal structure of beta-2-microglobulin D76G mutant
分子名称: Beta-2-microglobulin
著者Guthertz, N.
登録日2021-02-23
公開日2022-08-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The effect of mutation on an aggregation-prone protein: An in vivo, in vitro, and in silico analysis.
Proc.Natl.Acad.Sci.USA, 119, 2022
8SKQ
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BU of 8skq by Molmil
RNA oligonucleotide containing an alpha-(L)-threofuranosyl nucleic acid (TNA)
分子名称: TNA-containing RNA oligonucleotide
著者Harp, J.M, Egli, M.
登録日2023-04-20
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Shorter Is Better: The alpha-(l)-Threofuranosyl Nucleic Acid Modification Improves Stability, Potency, Safety, and Ago2 Binding and Mitigates Off-Target Effects of Small Interfering RNAs.
J.Am.Chem.Soc., 145, 2023
6NPS
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BU of 6nps by Molmil
Crystal structure of GH115 enzyme AxyAgu115A from Amphibacillus xylanus
分子名称: AxyAgu115A, CHLORIDE ION, GLYCEROL
著者Stogios, P.J, Skarina, T, Di Leo, R, Yan, R, Master, E, Savchenko, A.
登録日2019-01-18
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural characterization of the family GH115 alpha-glucuronidase from Amphibacillus xylanus yields insight into its coordinated action with alpha-arabinofuranosidases.
N Biotechnol, 2021
7Q14
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BU of 7q14 by Molmil
Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Imipenem
分子名称: 1-BUTANOL, BROMIDE ION, Beta-lactamase, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-10-18
公開日2022-11-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
6NQM
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BU of 6nqm by Molmil
Crystal structure of Human LSD1
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A
著者Tan, A.H.Y, Tu, W, McCuaig, R, Donovan, T, Tsimbalyuk, S, Forwood, J.K, Rao, S.
登録日2019-01-21
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Lysine-Specific Histone Demethylase 1A Regulates Macrophage Polarization and Checkpoint Molecules in the Tumor Microenvironment of Triple-Negative Breast Cancer.
Front Immunol, 10, 2019
5EA8
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BU of 5ea8 by Molmil
Crystal Structure of Prefusion RSV F Glycoprotein Fusion Inhibitor Resistance Mutant D489Y
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, D(-)-TARTARIC ACID, Fusion glycoprotein F0, ...
著者Battles, M.B, McLellan, J.S, Arnoult, E, Roymans, D, Langedijk, J.P.
登録日2015-10-15
公開日2015-12-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular mechanism of respiratory syncytial virus fusion inhibitors.
Nat.Chem.Biol., 12, 2016
7NMC
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BU of 7nmc by Molmil
Crystal structure of beta-2-microglobulin D76E mutant
分子名称: Beta-2-microglobulin, GLYCEROL, TRIETHYLENE GLYCOL
著者Guthertz, N.
登録日2021-02-23
公開日2022-08-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The effect of mutation on an aggregation-prone protein: An in vivo, in vitro, and in silico analysis.
Proc.Natl.Acad.Sci.USA, 119, 2022
8VRV
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BU of 8vrv by Molmil
GII.4c H2-tri HBGA norovirus protruding domain
分子名称: 1,2-ETHANEDIOL, Capsid protein, FORMIC ACID, ...
著者Kher, G, Prewitt, A, Pancera, M, Hansman, G.
登録日2024-01-22
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Advancement of norovirus therapies
To Be Published
7ZN6
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BU of 7zn6 by Molmil
Crystal structure of laccase-like multicopper oxidase (LMCO) from Thermothelomyces thermophilus
分子名称: 1,2-ETHANEDIOL, 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Kosinas, C, Dimarogona, M, Zerva, A, Topakas, E.
登録日2022-04-20
公開日2023-06-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-function studies of a novel laccase-like multicopper oxidase from Thermothelomyces thermophila provide insights into its biological role.
Acta Crystallogr D Struct Biol, 79, 2023
7NMV
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BU of 7nmv by Molmil
Crystal structure of beta-2-microglobulin D76Q mutant
分子名称: Beta-2-microglobulin
著者Guthertz, N.
登録日2021-02-23
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献The effect of mutation on an aggregation-prone protein: An in vivo, in vitro, and in silico analysis.
Proc.Natl.Acad.Sci.USA, 119, 2022
5V8I
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BU of 5v8i by Molmil
Thermus thermophilus 70S ribosome lacking ribosomal protein uS17
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
著者Gregory, S.T, Jogl, G.
登録日2017-03-22
公開日2018-03-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structural robustness of the ribosome inferred from X-ray crystal structures of the 30S ribosomal subunit and the 70S ribosome lacking ribosomal protein uS17
To be published
7TGM
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BU of 7tgm by Molmil
Crystal structure of HSC-AMS bound DesD, the desferrioxamine synthetase from the Streptomyces griseoflavus ferrimycin biosynthetic pathway
分子名称: 4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoic acid, Desferrioxamine synthetase DesD, GLYCEROL, ...
著者Patel, K.D, Gulick, A.M.
登録日2022-01-07
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An acyl-adenylate mimic reveals the structural basis for substrate recognition by the iterative siderophore synthetase DesD.
J.Biol.Chem., 298, 2022
8SY3
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BU of 8sy3 by Molmil
Copper Complex of Peanut USP-type BURP Domain Peptide Cyclase
分子名称: BURP domain-containing protein, COPPER (II) ION
著者Mydy, L.S, Kersten, R.D, Smith, J.L.
登録日2023-05-24
公開日2024-02-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献An intramolecular macrocyclase in plant ribosomal peptide biosynthesis.
Nat.Chem.Biol., 20, 2024
5V31
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BU of 5v31 by Molmil
Ethylene forming enzyme in complex with manganese and L-arginine
分子名称: 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININE, MANGANESE (II) ION
著者Fellner, M, Martinez, S, Hu, J, Hausinger, R.P.
登録日2017-03-06
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist.
J. Am. Chem. Soc., 139, 2017
8WF5
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BU of 8wf5 by Molmil
Horse heart myoglobin reconstituted with an iron complex of porphyrin bearing two CF3 groups (rMb(FePor(CF3)2))
分子名称: GLYCEROL, Myoglobin, PROTOPORPHYRIN(CF3)2 CONTAINING FE, ...
著者Kagawa, Y, Oohora, K, Himiyama, T, Suzuki, A, Hayashi, T.
登録日2023-09-19
公開日2024-06-12
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Redox Engineering of Myoglobin by Cofactor Substitution to Enhance Cyclopropanation Reactivity.
Angew.Chem.Int.Ed.Engl., 63, 2024

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件を2024-10-30に公開中

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