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5SVY
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BU of 5svy by Molmil
MORC3 CW in complex with histone H3K4me1
分子名称: ACETATE ION, H3K4me1, MORC family CW-type zinc finger protein 3, ...
著者Tong, Q, Andrews, F.H, Kutateladze, T.G.
登録日2016-08-08
公開日2016-10-05
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Multivalent Chromatin Engagement and Inter-domain Crosstalk Regulate MORC3 ATPase.
Cell Rep, 16, 2016
6DS6
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BU of 6ds6 by Molmil
Crystal structure of p300 ZZ domain in complex with histone H3 peptide
分子名称: CHLORIDE ION, Histone H3 peptide-Histone acetyltransferase p300 Chimeric protein, ZINC ION
著者Zhang, Y, Kutateladze, T.G.
登録日2018-06-13
公開日2018-08-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The ZZ domain of p300 mediates specificity of the adjacent HAT domain for histone H3.
Nat. Struct. Mol. Biol., 25, 2018
8CC7
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BU of 8cc7 by Molmil
Mouse serotonin 5-HT3A receptor in complex with PZ-1939
分子名称: 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline, 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Lopez-Sanchez, U, Nury, H.
登録日2023-01-26
公開日2023-10-11
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Superiority of the Triple-Acting 5-HT 6 R/5-HT 3 R Antagonist and MAO-B Reversible Inhibitor PZ-1922 over 5-HT 6 R Antagonist Intepirdine in Alleviation of Cognitive Deficits in Rats.
J.Med.Chem., 66, 2023
8CC6
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BU of 8cc6 by Molmil
Mouse serotonin 5-HT3A receptor in complex with PZ-1922
分子名称: 1-[(3-chlorophenyl)methyl]-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline, 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Lopez-Sanchez, U, Nury, H.
登録日2023-01-26
公開日2023-10-11
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Superiority of the Triple-Acting 5-HT 6 R/5-HT 3 R Antagonist and MAO-B Reversible Inhibitor PZ-1922 over 5-HT 6 R Antagonist Intepirdine in Alleviation of Cognitive Deficits in Rats.
J.Med.Chem., 66, 2023
1EVV
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BU of 1evv by Molmil
CRYSTAL STRUCTURE OF YEAST PHENYLALANINE TRANSFER RNA AT 2.0 A RESOLUTION
分子名称: MAGNESIUM ION, PHENYLALANINE TRANSFER RNA, SPERMINE
著者Jovine, L, Djordjevic, S, Rhodes, D.
登録日2000-04-20
公開日2000-05-01
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of yeast phenylalanine tRNA at 2.0 A resolution: cleavage by Mg(2+) in 15-year old crystals.
J.Mol.Biol., 301, 2000
7BN2
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BU of 7bn2 by Molmil
Clathrin heavy chain N-terminal domain bound to Non structured protein 3 from Eastern Equine Encephalitis Virus
分子名称: Clathrin heavy chain 1, Non structured protein 3 from Eastern Equine Encephalitis Virus, PHOSPHATE ION, ...
著者Badgujar, D.C, Dobritzsch, D.
登録日2021-01-21
公開日2022-03-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.965 Å)
主引用文献Large-scale phage-based screening reveals extensive pan-viral mimicry of host short linear motifs
Nat Commun, 14, 2023
7BN3
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BU of 7bn3 by Molmil
Crystal structure of C-terminal domain of PABPC1 in complex with Nucleoprotein from Human Coronavirus 229E
分子名称: GLYCEROL, Isoform 2 of Polyadenylate-binding protein 1, Nucleoprotein from Human Coronavirus 229E, ...
著者Badgujar, D.C, Dobritzsch, D.
登録日2021-01-21
公開日2022-03-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Large-scale phage-based screening reveals extensive pan-viral mimicry of host short linear motifs
Nat Commun, 14, 2023
7BN1
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BU of 7bn1 by Molmil
Clathrin heavy chain N-terminal domain complexed with peptide from Protein mu-NS of Reovirus type 1
分子名称: Clathrin heavy chain 1, Protein mu-NS from Reovirus type 1, TETRAETHYLENE GLYCOL
著者Badgujar, D.C, Dobritzsch, D.
登録日2021-01-21
公開日2022-03-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Large-scale phage-based screening reveals extensive pan-viral mimicry of host short linear motifs
Nat Commun, 14, 2023
7Z9P
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BU of 7z9p by Molmil
The novel DNA binding mechanism of ridinilazole, a precision Clostridiodes difficile antibiotic
分子名称: DNA (5'-D(P*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G*(RID))-3'), Ridinilazole, SODIUM ION, ...
著者Mason, S, Leonard, P.M.
登録日2022-03-21
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Novel DNA Binding Mechanism of Ridinilazole, a Precision Clostridiodes difficile Antibiotic.
Antimicrob.Agents Chemother., 67, 2023
5NUU
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BU of 5nuu by Molmil
Torpedo californica acetylcholinesterase in complex with a chlorotacrine-tryptophan hybrid inhibitor
分子名称: (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Caliandro, R, Pesaresi, A, Lamba, D.
登録日2017-05-02
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease.
Eur.J.Med.Chem., 168, 2019
1FO0
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BU of 1fo0 by Molmil
MURINE ALLOREACTIVE SCFV TCR-PEPTIDE-MHC CLASS I MOLECULE COMPLEX
分子名称: NATURALLY PROCESSED OCTAPEPTIDE PBM1, PROTEIN (ALLOGENEIC H-2KB MHC CLASS I MOLECULE), PROTEIN (BETA-2 MICROGLOBULIN), ...
著者Reiser, J.B, Darnault, C, Guimezanes, A, Gregoire, C, Mosser, T, Schmitt-Verhulst, A.-M, Fontecilla-Camps, J.C, Malissen, B, Housset, D, Mazza, G.
登録日2000-08-24
公開日2000-10-02
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a T cell receptor bound to an allogeneic MHC molecule.
Nat.Immunol., 1, 2000
5MW2
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BU of 5mw2 by Molmil
CRYSTAL STRUCTURE OF BCL-6 BTB-domain with BI-3802
分子名称: 2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide, B-cell lymphoma 6 protein
著者Bader, G, Flotzinger, G, Weiss-Puxbaum, A, Zoephel, A.
登録日2017-01-18
公開日2017-10-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6.
Cell Rep, 20, 2017
5MW6
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BU of 5mw6 by Molmil
Crystal structure of the BCL6 BTB-domain with compound 1
分子名称: 5-chloranyl-~{N}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine, B-cell lymphoma 6 protein
著者Davies, D.R, Kessler, D.
登録日2017-01-18
公開日2017-10-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6.
Cell Rep, 20, 2017
5MWD
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BU of 5mwd by Molmil
Crystal structure of the BCL6 BTB-domain with compound 2
分子名称: 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein
著者Bader, G, Flotzinger, G, Weiss-Puxbaum, A, Zoephel, A.
登録日2017-01-18
公開日2017-10-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6.
Cell Rep, 20, 2017
5DO6
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BU of 5do6 by Molmil
Crystal structure of Dendroaspis polylepis venom mambalgin-1 T23A mutant
分子名称: 1,2-ETHANEDIOL, IODIDE ION, Mambalgin-1, ...
著者Stura, E.A, Tepshi, L, Kessler, P, Gilles, M, Servent, D.
登録日2015-09-10
公開日2015-12-30
最終更新日2017-01-25
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Mambalgin-1 Pain-relieving Peptide, Stepwise Solid-phase Synthesis, Crystal Structure, and Functional Domain for Acid-sensing Ion Channel 1a Inhibition.
J.Biol.Chem., 291, 2016
5E1E
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BU of 5e1e by Molmil
Human JAK1 kinase in complex with compound 30 at 2.30 Angstroms resolution
分子名称: 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine, DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase JAK1
著者Ferguson, A.D.
登録日2015-09-29
公開日2015-11-25
最終更新日2015-12-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of azabenzimidazoles as potent JAK1 selective inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5K8Q
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BU of 5k8q by Molmil
Crystal Structure of Calcium-loaded Calmodulin in complex with STRA6 CaMBP2-site peptide.
分子名称: CALCIUM ION, Calmodulin, IMIDAZOLE, ...
著者Stowe, S.D, Clarke, O.B, Cavalier, M.C, Godoy-Ruiz, R, Mancia, F, Weber, D.J.
登録日2016-05-30
公開日2016-08-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.739 Å)
主引用文献Structure of the STRA6 receptor for retinol uptake.
Science, 353, 2016
5CS2
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BU of 5cs2 by Molmil
Crystal structure of Plasmodium falciparum diadenosine triphosphate hydrolase in complex with Cyclomarin A
分子名称: CHLORIDE ION, Cyclomarin A, Histidine triad protein
著者Ostermann, N, Schmitt, E, Gerhartz, B, Hinniger, A, Delmas, C.
登録日2015-07-23
公開日2015-10-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Gift from Nature: Cyclomarin A Kills Mycobacteria and Malaria Parasites by Distinct Modes of Action.
Chembiochem, 16, 2015
3MKP
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BU of 3mkp by Molmil
Crystal structure of 1K1 mutant of Hepatocyte Growth Factor/Scatter Factor fragment NK1 in complex with heparin
分子名称: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Gherardi, E, Chirgadze, D.Y, Blundell, T.L.
登録日2010-04-15
公開日2010-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Engineering a fragment of Hepatocyte Growth Factor/Scatter Factor for tissue and organ regeneration
To be Published
5O6Y
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BU of 5o6y by Molmil
Crystal structure of the Bc1960 peptidoglycan N-acetylglucosamine deacetylase in complex with 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide, ...
著者Fadouloglou, V.E, Kotsifaki, D, Kokkinidis, M.
登録日2017-06-07
公開日2018-06-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.498 Å)
主引用文献Crystal structure of the Bc1960 peptidoglycan N-acetylglucosamine deacetylase in complex with 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide
To Be Published
5NVA
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BU of 5nva by Molmil
Substrate-bound outward-open state of a Na+-coupled sialic acid symporter reveals a novel Na+-site
分子名称: N-acetyl-beta-neuraminic acid, Putative sodium:solute symporter, SODIUM ION
著者Wahlgren, W.Y, North, R.A, Dunevall, E, Goyal, P, Grabe, M, Dobson, R, Abramson, J, Ramaswamy, S, Friemann, R.
登録日2017-05-03
公開日2018-04-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Substrate-bound outward-open structure of a Na+-coupled sialic acid symporter reveals a new Na+site.
Nat Commun, 9, 2018
5NV9
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Substrate-bound outward-open state of a Na+-coupled sialic acid symporter reveals a novel Na+-site
分子名称: DODECYL-BETA-D-MALTOSIDE, N-acetyl-beta-neuraminic acid, PHOSPHATE ION, ...
著者Wahlgren, W.Y, North, R.A, Dunevall, E, Paz, A, Goyal, P, Bisignano, P, Grabe, M, Dobson, R, Abramson, J, Ramaswamy, S, Friemann, R.
登録日2017-05-03
公開日2018-04-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Substrate-bound outward-open structure of a Na+-coupled sialic acid symporter reveals a new Na+site.
Nat Commun, 9, 2018
5DU1
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Crystal structure of Dendroaspis polylepis mambalgin-1 wild-type in P21 space group.
分子名称: Mambalgin-1
著者Stura, E.A, Tepshi, L, Mourier, G, Kessler, P, Servent, D.
登録日2015-09-18
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mambalgin-1 Pain-relieving Peptide, Stepwise Solid-phase Synthesis, Crystal Structure, and Functional Domain for Acid-sensing Ion Channel 1a Inhibition.
J.Biol.Chem., 291, 2016
5DZ5
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BU of 5dz5 by Molmil
Crystal structure of Dendroaspis polylepis mambalgin-1 wild-type in P41212 space group
分子名称: Mambalgin-1
著者Stura, E.A, Tepshi, L, Mourier, G, Kessler, P, Servent, D.
登録日2015-09-25
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mambalgin-1 Pain-relieving Peptide, Stepwise Solid-phase Synthesis, Crystal Structure, and Functional Domain for Acid-sensing Ion Channel 1a Inhibition.
J.Biol.Chem., 291, 2016
5JF4
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BU of 5jf4 by Molmil
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor AT019
分子名称: (3R)-3-{3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-N-hydroxybutanamide, ACETATE ION, IMIDAZOLE, ...
著者Fieulaine, S, Giglione, C, Meinnel, T.
登録日2016-04-19
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016

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