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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
4ZK8
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BU of 4zk8 by Molmil
Copper-containing nitrite reductase from thermophilic bacterium Geobacillus thermodenitrificans (Re-refined)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Fukuda, Y, Inoue, T.
登録日2015-04-30
公開日2015-05-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structural insights into the function of a thermostable copper-containing nitrite reductase
J.Biochem., 155, 2014
2YAD
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BU of 2yad by Molmil
BRICHOS domain of Surfactant protein C precursor protein
分子名称: SURFACTANT PROTEIN C BRICHOS DOMAIN
著者Askarieh, G, Siponen, M.I, Willander, H, Landreh, M, Westermark, P, Nordling, K, Keranen, H, Hermansson, E, Hamvas, A, Nogee, L.M, Bergman, T, Saenz, A, Casals, C, Aqvist, J, Jornvall, H, Presto, J, Johansson, J, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Nordlund, P, Persson, C, Schuler, H, Thorsell, A.G, Tresaugues, L, van den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Berglund, H, Knight, S.D.
登録日2011-02-18
公開日2012-02-15
最終更新日2014-08-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High Resolution Structure of a Bricos Domain and its Implications for Anti-Amyloid Chaperone Activity on Lung Surgactant Protein C.
Proc.Natl.Acad.Sci.USA, 109, 2012
3O57
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BU of 3o57 by Molmil
Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle pyrazolopyridine inhibitor
分子名称: 5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine, ARSENIC, GLYCEROL, ...
著者Somers, D.O, Neu, M.
登録日2010-07-28
公開日2011-08-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR.
Bioorg.Med.Chem.Lett., 20, 2010
7Q39
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BU of 7q39 by Molmil
Ribonucleotide Reductase R2_genomic protein from Aquifex aeolicus
分子名称: FE (III) ION, Ribonucleoside-diphosphate reductase subunit beta
著者Scaletti, E, Rehling, D, Stenmark, P.
登録日2021-10-27
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022
7Q3C
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BU of 7q3c by Molmil
Ribonucleotide Reductase AaR2 protein from Aquifex aeolicus
分子名称: FE (III) ION, Ribonucleoside-diphosphate reductase subunit beta
著者Scaletti, E.R, Rehling, D, Stenmark, P.
登録日2021-10-27
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022
3O56
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BU of 3o56 by Molmil
Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle pyrazolopyridine inhibitor
分子名称: 1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine, ARSENIC, GLYCEROL, ...
著者Somers, D.O, Neu, M.
登録日2010-07-28
公開日2011-08-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR.
Bioorg.Med.Chem.Lett., 20, 2010
5U5T
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BU of 5u5t by Molmil
Crystal structure of EED in complex with H3K27Me3 peptide and 3-(benzo[d][1,3]dioxol-4-ylmethyl)piperidine-1-carboximidamide
分子名称: (3R)-3-[(2H-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ...
著者Bussiere, D, Shu, W.
登録日2016-12-07
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5U5K
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BU of 5u5k by Molmil
Crystal structure of EED in complex with 3-(3-methoxybenzyl)piperidine hydrochloride
分子名称: (3R)-3-[(3-methoxyphenyl)methyl]piperidine, FORMIC ACID, Polycomb protein EED
著者Bussiere, D, Shu, W.
登録日2016-12-06
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
3BER
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BU of 3ber by Molmil
Human DEAD-box RNA-helicase DDX47, conserved domain I in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, PHOSPHATE ION, Probable ATP-dependent RNA helicase DDX47, ...
著者Karlberg, T, Busam, R.D, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
登録日2007-11-20
公開日2007-12-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
3B7G
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BU of 3b7g by Molmil
Human DEAD-box RNA helicase DDX20, Conserved domain I (DEAD) in complex with AMPPNP (Adenosine-(Beta,gamma)-imidotriphosphate)
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable ATP-dependent RNA helicase DDX20
著者Karlberg, T, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
登録日2007-10-30
公開日2007-11-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
5U62
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BU of 5u62 by Molmil
Crystal structure of EED in complex with H3K27Me3 peptide and 6-(benzo[d][1,3]dioxol-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
分子名称: (6S)-6-[(2H-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Histone-lysine N-methyltransferase EZH2, ...
著者Bussiere, D, Shu, W.
登録日2016-12-07
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
8RXO
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BU of 8rxo by Molmil
ACDC domain of Plasmodium falciparum AP2-I transcription factor
分子名称: AP2 domain transcription factor AP2-I
著者Nessler, S, Le Berre, M, Li De La Sierra, I.
登録日2024-02-07
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.998 Å)
主引用文献Structural characterization of the ACDC domain from ApiAP2 proteins of the malaria parasite.
Biorxiv, 2024
8SMV
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BU of 8smv by Molmil
GPR161 Gs heterotrimer
分子名称: CHOLESTEROL, G-protein coupled receptor 161, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Hoppe, N, Manglik, A, Harrison, S.
登録日2023-04-26
公開日2024-02-21
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献GPR161 structure uncovers the redundant role of sterol-regulated ciliary cAMP signaling in the Hedgehog pathway.
Biorxiv, 2023
8EPA
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BU of 8epa by Molmil
Structure of interleukin receptor common gamma chain (IL2Rgamma) in complex with two antibodies
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, REGN7257 Fab heavy chain, ...
著者Franklin, M.C, Romero Hernandez, A.
登録日2022-10-05
公開日2023-01-25
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Blocking common gamma chain cytokine signaling ameliorates T cell-mediated pathogenesis in disease models.
Sci Transl Med, 15, 2023
6NQD
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BU of 6nqd by Molmil
Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer in complex with 8ANC195 Fab
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, 8ANC195 G52K5 heavy chain, ...
著者Fang, Q, Rossmann, M.G.
登録日2019-01-21
公開日2019-03-06
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献A sequestered fusion peptide in the structure of an HIV-1 transmitted founder envelope trimer.
Nat Commun, 10, 2019
5U5H
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BU of 5u5h by Molmil
Crystal structure of EED in complex with 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
分子名称: (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Polycomb protein EED
著者Bussiere, D, Shu, W.
登録日2016-12-06
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
8RXA
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BU of 8rxa by Molmil
ACDC domain of AP2-O5 from Plasmodium falciparum
分子名称: AP2 domain transcription factor AP2-O5, putative
著者Nessler, S, Le Berre, M, Gallay Li de la Sierra, I.
登録日2024-02-06
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Structural characterization of the ACDC domain from ApiAP2 proteins of the malaria parasite.
Biorxiv, 2024
8RWU
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BU of 8rwu by Molmil
ACDC domain of the AP2-I transcription factor from Plasmodium vivax
分子名称: AP2 domain transcription factor AP2-I, putative
著者Nessler, S, Le Berre, M, Gallay Li de la Sierra, I.
登録日2024-02-05
公開日2024-03-06
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (3.152 Å)
主引用文献Structural characterization of the ACDC domain from ApiAP2 proteins of the malaria parasite.
Biorxiv, 2024
6XDG
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BU of 6xdg by Molmil
Complex of SARS-CoV-2 receptor binding domain with the Fab fragments of two neutralizing antibodies
分子名称: REGN10933 antibody Fab fragment heavy chain, REGN10933 antibody Fab fragment light chain, REGN10987 antibody Fab fragment heavy chain, ...
著者Franklin, M.C, Saotome, K, Romero Hernandez, A, Zhou, Y.
登録日2020-06-10
公開日2020-06-24
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Studies in humanized mice and convalescent humans yield a SARS-CoV-2 antibody cocktail.
Science, 369, 2020
8FBD
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BU of 8fbd by Molmil
Crystal structure of OrfX1-OrfX3 complex from Clostridium botulinum E1
分子名称: ACETATE ION, Neurotoxin complex component Orf-X1, Neurotoxin complex component Orf-X3
著者Liu, S, Gao, L.
登録日2022-11-29
公開日2022-12-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1.
Febs Lett., 597, 2023
8FBF
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BU of 8fbf by Molmil
Crystal structure of OrfX2 from Clostridium botulinum E1
分子名称: Neurotoxin complex component Orf-X2, SULFATE ION
著者Lam, K.H, Gao, L.
登録日2022-11-29
公開日2022-12-21
最終更新日2023-03-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1.
Febs Lett., 597, 2023
8FBE
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BU of 8fbe by Molmil
Crystal structure of OrfX1 from Clostridium botulinum E1
分子名称: Neurotoxin complex component Orf-X1
著者Liu, S, Gao, L.
登録日2022-11-29
公開日2022-12-21
最終更新日2023-03-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1.
Febs Lett., 597, 2023
5AJJ
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BU of 5ajj by Molmil
Crystal structure of variola virus virulence factor F1L in complex with human Bid BH3 domain
分子名称: ACETATE ION, BH3-INTERACTING DOMAIN DEATH AGONIST, GLYCEROL, ...
著者Kvansakul, M, Colman, P.M.
登録日2015-02-25
公開日2015-03-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Variola Virus F1L is a Bcl-2-Like Protein that Unlike its Vaccinia Virus Counterpart Inhibits Apoptosis Independent of Bim.
Cell Death Dis., 6, 2015
5BOQ
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BU of 5boq by Molmil
Human insulin with intra-chain chemical crosslink between modified B24 and B29
分子名称: Insulin, SULFATE ION
著者Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L.
登録日2015-05-27
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016

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