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6BL5
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BU of 6bl5 by Molmil
Head decoration protein from the hyperthermophilic phage P74-26
分子名称: Head decoration protein
著者Stone, N.P, Hilbert, B.J, Hidalgo, D, Halloran, K.T, Kelch, B.A.
登録日2017-11-09
公開日2018-02-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A Hyperthermophilic Phage Decoration Protein Suggests Common Evolutionary Origin with Herpesvirus Triplex Proteins and an Anti-CRISPR Protein.
Structure, 26, 2018
6PMB
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BU of 6pmb by Molmil
TRK-A IN COMPLEX WITH LIGAND 1a
分子名称: 2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide, High affinity nerve growth factor receptor
著者Subramanian, G, Brown, D.G.
登録日2019-07-01
公開日2020-02-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA).
Rsc Med Chem, 11, 2020
6P3C
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BU of 6p3c by Molmil
E. coli fumarase mutant - T187A
分子名称: CITRATE ANION, Fumarate hydratase class II
著者May, J.F, Bhattcharyya, B, Weaver, T.M.
登録日2019-05-23
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.459 Å)
主引用文献Fumarase C variant at the active site
To Be Published
6PDG
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BU of 6pdg by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 83
分子名称: 5-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
著者Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
登録日2019-06-18
公開日2020-04-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.919 Å)
主引用文献Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
6ORF
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BU of 6orf by Molmil
Crystal structure of SpGH29
分子名称: 1,2-ETHANEDIOL, SpGH29, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]2-acetamido-2-deoxy-alpha-D-glucopyranose
著者Pluvinage, B, Boraston, A.B.
登録日2019-04-30
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Two complementary alpha-fucosidases fromStreptococcus pneumoniaepromote complete degradation of host-derived carbohydrate antigens.
J.Biol.Chem., 294, 2019
6BVN
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BU of 6bvn by Molmil
Cryo-EM Structure of Hepatitis B virus T=3 capsid in complex with the fluorescent allosteric modulator HAP-TAMRA
分子名称: Capsid protein, Heteroaryldihydropyrimidine tetramethylrodamine
著者Schlicksup, C, Wang, J.C, Zlotnick, A.
登録日2017-12-13
公開日2018-02-07
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Hepatitis B virus core protein allosteric modulators can distort and disrupt intact capsids.
Elife, 7, 2018
8TWX
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BU of 8twx by Molmil
Synthesis and Evaluation of Diaryl Ether Modulators of the Leukotriene A4 Hydrolase Aminopeptidase Activity
分子名称: 5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine, Leukotriene A-4 hydrolase, ZINC ION
著者Lee, K.H, Lee, S.H, Paige, M, Noble, S.M.
登録日2023-08-21
公開日2024-08-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthesis and Evaluation of Diaryl Ether Modulators of the Leukotriene A4 Hydrolase Aminopeptidase Activity
To be published
6R45
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BU of 6r45 by Molmil
Crystal structure of eukaryotic O-GlcNAcase HAT-like domain
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, O-GlcNAcase
著者Raimi, O.G, Gorelik, A, Hopkins-Navratilova, I, Aristotelous, T, Ferenbach, A, vanAalten, D.
登録日2019-03-21
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.784 Å)
主引用文献Crystal structure of eukaryotic O-GlcNAcase HAT-like domain
To Be Published
6OI2
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BU of 6oi2 by Molmil
Crystal structure of human WDR5 in complex with symmetric dimethyl-L-arginine
分子名称: GLYCEROL, N3, N4-DIMETHYLARGININE, ...
著者Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D.
登録日2019-04-08
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5.
Biochemistry, 59, 2020
6OR4
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BU of 6or4 by Molmil
Crystal structure of SpGH29
分子名称: Glycoside hydrolase, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Pluvinage, B, Boraston, A.B.
登録日2019-04-29
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Two complementary alpha-fucosidases fromStreptococcus pneumoniaepromote complete degradation of host-derived carbohydrate antigens.
J.Biol.Chem., 294, 2019
3ZXG
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BU of 3zxg by Molmil
lysenin sphingomyelin complex
分子名称: LYSENIN, SULFATE ION, TRIMETHYL-[2-[[(2S,3S)-2-(OCTADECANOYLAMINO)-3-OXIDANYL-BUTOXY]-OXIDANYL-PHOSPHORYL]OXYETHYL]AZANIUM
著者De Colibus, L, Sonnen, A.F.P, Morris, K.J, Siebert, C.A, Abrusci, P, Plitzko, J, Hodnik, V, Leippe, M, Volpi, E, Anderluh, G, Gilbert, R.J.C.
登録日2011-08-10
公開日2012-09-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structures of Lysenin Reveal a Shared Evolutionary Origin for Pore-Forming Proteins and its Mode of Sphingomyelin Recognition.
Structure, 20, 2012
4YET
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BU of 4yet by Molmil
X-ray crystal structure of superoxide dismutase from Babesia bovis solved by Sulfur SAD
分子名称: FE (III) ION, Superoxide dismutase
著者Fairman, J.W, Clifton, M.C, Abendroth, J, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-02-24
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Iron superoxide dismutases in eukaryotic pathogens: new insights from Apicomplexa and Trypanosoma structures.
Acta Crystallogr.,Sect.F, 71, 2015
6BVF
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BU of 6bvf by Molmil
Cryo-EM Structure of Hepatitis B virus T=4 capsid in complex with the fluorescent allosteric modulator HAP-TAMRA
分子名称: Capsid protein, Heteroaryldihydropyrimidine tetramethylrodamine
著者Schlicksup, C, Wang, J.C, Zlotnick, A.
登録日2017-12-12
公開日2018-02-07
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Hepatitis B virus core protein allosteric modulators can distort and disrupt intact capsids.
Elife, 7, 2018
6BXZ
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BU of 6bxz by Molmil
Crystal Structure of Pig Protocadherin-15 EC10-MAD12
分子名称: CALCIUM ION, Protocadherin related 15
著者De-la-Torre, P, Araya-Secchi, R, Choudhary, D, Sotomayor, M.
登録日2017-12-19
公開日2018-11-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A Mechanically Weak Extracellular Membrane-Adjacent Domain Induces Dimerization of Protocadherin-15.
Biophys. J., 115, 2018
7UR3
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BU of 7ur3 by Molmil
Hsp90 alpha inhibitor
分子名称: (5-fluoro-1,3-dihydro-2H-isoindol-2-yl){4-hydroxy-3-[(2S)-2-hydroxy-5-phenylpentan-2-yl]phenyl}methanone, Heat shock protein HSP 90-alpha
著者Deng, J, Peng, S, Balch, M, Matts, R.
登録日2022-04-21
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Activity Relationship Study of Tertiary Alcohol Hsp90 alpha-Selective Inhibitors with Novel Binding Mode.
Acs Med.Chem.Lett., 13, 2022
6PDA
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BU of 6pda by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 74
分子名称: 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
著者Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
登録日2019-06-18
公開日2020-04-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.448 Å)
主引用文献Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
6PDE
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BU of 6pde by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 40
分子名称: 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
著者Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
登録日2019-06-18
公開日2020-04-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
6ORH
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BU of 6orh by Molmil
Crystal structure of SpGH29
分子名称: 1,2-ETHANEDIOL, Glycoside hydrolase, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose
著者Pluvinage, B, Boraston, A.B.
登録日2019-04-30
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Two complementary alpha-fucosidases fromStreptococcus pneumoniaepromote complete degradation of host-derived carbohydrate antigens.
J.Biol.Chem., 294, 2019
6OIN
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BU of 6oin by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor CTX-124143
分子名称: 2-fluoro-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
著者Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
登録日2019-04-09
公開日2019-07-03
最終更新日2019-08-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019
6C5N
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BU of 6c5n by Molmil
Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 1
分子名称: (cyclopentylamino)(oxo)acetic acid, IMIDAZOLE, Ketol-acid reductoisomerase (NADP(+)), ...
著者Kandale, A, Patel, K.M, Zheng, S, You, L, Guddat, L.W, Schenk, G, Schembri, M.A, McGeary, R.P.
登録日2018-01-16
公開日2019-01-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.673 Å)
主引用文献Design, synthesis, in vitro activity and crystallisation of novel N-isopropyl-N-hydroxyoxamate derivatives as ketol-acid reductosiomerase (KARI) inhibitor
To Be Published
7U4E
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BU of 7u4e by Molmil
Neuraminidase from influenza virus A/Bilthoven/17938/1969(H3N2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Lei, R, Hernandez Garcia, A.
登録日2022-02-28
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Prevalence and mechanisms of evolutionary contingency in human influenza H3N2 neuraminidase.
Nat Commun, 13, 2022
8USM
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BU of 8usm by Molmil
FmlH Lectin Domain UTI89 - AM4085
分子名称: 4'-fluoro-6-(trifluoromethyl)[1,1'-biphenyl]-2-yl 2-acetamido-2-deoxy-beta-D-galactopyranoside, Fimbrial protein (Fragment)
著者Tamadonfar, K.O, Pinkner, J.P, Maddirala, A.R, Janetka, J.W, Hultgren, S.J.
登録日2023-10-27
公開日2024-02-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery of Orally Bioavailable FmlH Lectin Antagonists as Treatment for Urinary Tract Infections.
J.Med.Chem., 67, 2024
6PD9
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BU of 6pd9 by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 60
分子名称: 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
著者Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
登録日2019-06-18
公開日2020-04-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
6PDF
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BU of 6pdf by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 55
分子名称: 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
著者Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
登録日2019-06-18
公開日2020-04-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
7TTW
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BU of 7ttw by Molmil
50S ribosomal subunit from Staphylococcus aureus containing double mutation in uL3 imparting linezolid resistance
分子名称: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Belousoff, M.J, Piper, S, Johnson, R.
登録日2022-02-02
公開日2022-07-06
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献A Structurally Characterized Staphylococcus aureus Evolutionary Escape Route from Treatment with the Antibiotic Linezolid.
Microbiol Spectr, 10, 2022

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件を2024-10-16に公開中

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