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7UYO
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Crystal structure of B-form alien DNA 5'-CTTSSPBZPSZBBAAG in a host-guest complex with the N-terminal fragment of Moloney murine leukemia virus reverse transcriptase
分子名称: DNA (5'-D(*CP*TP*TP*(JSP)P*(JSP)P*(1WA)P*(IGU)P*(1W5))-3'), DNA (5'-D(P*(1WA)P*(JSP)P*(1W5)P*(IGU)P*(IGU)P*AP*AP*G)-3'), reverse transcriptase
著者Georgiadis, M.M.
登録日2022-05-06
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of 'ALternative Isoinformational ENgineered' DNA in B-form.
Philos.Trans.R.Soc.Lond.B Biol.Sci., 378, 2023
7UYN
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BU of 7uyn by Molmil
Crystal structure of B-form alien DNA 5'-CTTBPPBBSSZZSAAG in a host-guest complex with the N-terminal fragment of Moloney murine leukemia virus reverse transcriptase
分子名称: DNA (5'-D(*CP*TP*TP*(IGU)P*(1WA)P*(1WA)P*(IGU)P*(IGU))-3'), DNA (5'-D(P*(JSP)P*(JSP)P*(1W5)P*(1W5)P*(JSP)P*AP*AP*G)-3'), reverse transcriptase
著者Georgiadis, M.M.
登録日2022-05-06
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of 'ALternative Isoinformational ENgineered' DNA in B-form.
Philos.Trans.R.Soc.Lond.B Biol.Sci., 378, 2023
7UYP
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BU of 7uyp by Molmil
Crystal structure of B-form alien DNA 5'-CTTZZPBSBSZPPAAG in a host-guest complex with the N-terminal fragment of Moloney murine leukemia virus reverse transcriptase
分子名称: DNA (5'-D(*CP*TP*TP*(1W5)P*(1W5)P*(1WA)P*(IGU)P*(JSP))-3'), DNA (5'-D(P*(IGU)P*(JSP)P*(1W5)P*(1WA)P*(1WA)P*AP*AP*G)-3'), reverse transcriptase
著者Georgiadis, M.M.
登録日2022-05-06
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structures of 'ALternative Isoinformational ENgineered' DNA in B-form.
Philos.Trans.R.Soc.Lond.B Biol.Sci., 378, 2023
5Z0S
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BU of 5z0s by Molmil
Crystal structure of FGFR1 kinase domain in complex with a novel inhibitor
分子名称: 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine, Fibroblast growth factor receptor 1
著者Liu, Q, Xu, Y.
登録日2017-12-20
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Based Discovery of a Series of 5H-Pyrrolo[2,3-b]pyrazine FGFR Kinase Inhibitors
Molecules, 23, 2018
5OY4
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BU of 5oy4 by Molmil
GSK3beta complex with N-(6-(3,4-dihydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
分子名称: Glycogen synthase kinase-3 beta, Proto-oncogene FRAT1, SULFATE ION, ...
著者Bax, B.D, Convery, M.A.
登録日2017-09-07
公開日2017-11-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献From PIM1 to PI3K delta via GSK3 beta : Target Hopping through the Kinome.
ACS Med Chem Lett, 8, 2017
4ZT6
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BU of 4zt6 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1709)
分子名称: DIMETHYL SULFOXIDE, METHIONINE, Methionyl-tRNA synthetase, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
1VCR
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BU of 1vcr by Molmil
An icosahedral assembly of light-harvesting chlorophyll a/b protein complex from pea thylakoid membranes
分子名称: CHLOROPHYLL A, CHLOROPHYLL B, Chlorophyll a-b binding protein AB80
著者Hino, T, Kanamori, E, Shen, J.-R, Kouyama, T.
登録日2004-03-10
公開日2004-03-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (9.5 Å)
主引用文献An icosahedral assembly of the light-harvesting chlorophyll a/b protein complex from pea chloroplast thylakoid membranes.
Acta Crystallogr.,Sect.D, 60, 2004
8G8C
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BU of 8g8c by Molmil
Crystal structure of DH1322.1 Fab in complex with HIV proximal MPER peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1322.1 heavy chain, DH1322.1 light chain, ...
著者Niyongabo, A, Janus, B.M, Ofek, G.
登録日2023-02-17
公開日2024-05-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 187, 2024
8TO7
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BU of 8to7 by Molmil
Cryo-EM structure of HERH-b*01 Fab in complex with HIV-1 Env trimer BG505.DS SOSIP
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, HERH-b*01 heavy chain, ...
著者Roark, R.S, Hoyt, F, Hansen, B, Fischer, E, Shapiro, L.S, Kwong, P.D.
登録日2023-08-03
公開日2024-08-07
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Potent and broad HIV-1 neutralization in fusion peptide-primed SHIV-infected macaques.
Cell, 187, 2024
3VNT
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BU of 3vnt by Molmil
Crystal Structure of the Kinase domain of Human VEGFR2 with a [1,3]thiazolo[5,4-b]pyridine derivative
分子名称: 1,2-ETHANEDIOL, 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide, Vascular endothelial growth factor receptor 2
著者Oki, H.
登録日2012-01-17
公開日2012-04-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors. 1. Exploration of [5,6]-fused bicyclic scaffolds
J.Med.Chem., 55, 2012
1B44
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BU of 1b44 by Molmil
CRYSTAL STRUCTURE OF THE B SUBUNIT OF HEAT-LABILE ENTEROTOXIN FROM E. COLI CARRYING A PEPTIDE WITH ANTI-HSV ACTIVITY
分子名称: PROTEIN (B-POL SUBUNIT OF HEAT-LABILE ENTEROTOXIN)
著者Matkovic-Calogovic, D, Loregian, A, D'Acunto, M.R, Battistutta, R, Tossi, A, Palu, G, Zanotti, G.
登録日1999-01-04
公開日1999-01-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of the B subunit of Escherichia coli heat-labile enterotoxin carrying peptides with anti-herpes simplex virus type 1 activity.
J.Biol.Chem., 274, 1999
7N8I
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BU of 7n8i by Molmil
SARS-CoV-2 S (B.1.429 / epsilon variant) + S2M11 + S2L20 (Local Refinement of the NTD/S2L20)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Fab Heavy Chain Variable Region, S2L20 Fab Light Chain Variable Region, ...
著者McCallum, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2021-06-14
公開日2021-07-14
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献SARS-CoV-2 immune evasion by the B.1.427/B.1.429 variant of concern.
Science, 373, 2021
6B8U
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BU of 6b8u by Molmil
Crystals Structure of B-Raf kinase domain in complex with an Imidazopyridinyl benzamide inhibitor
分子名称: Serine/threonine-protein kinase B-raf, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
著者Appleton, B.A, Murray, J, Shafer, C.M.
登録日2017-10-09
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
1O6L
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BU of 1o6l by Molmil
Crystal structure of an activated Akt/protein kinase B (PKB-PIF chimera) ternary complex with AMP-PNP and GSK3 peptide
分子名称: GLYCOGEN SYNTHASE KINASE-3 BETA, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Yang, J, Cron, P, Good, V.M, Thompson, V, Hemmings, B.A, Barford, D.
登録日2002-10-08
公開日2002-11-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of an Activated Akt/Protein Kinase B Ternary Complex with Gsk-3 Peptide and AMP-Pnp
Nat.Struct.Biol., 9, 2002
8TXT
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BU of 8txt by Molmil
Crystal structure of 05.GC.w13.02 Fab in complex with H5 HA from A/Viet Nam/1203/2004(H5N1)
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, GC_W13B_B, ...
著者Lin, T.H, Moore, N, Wilson, I.A.
登録日2023-08-24
公開日2024-06-26
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Maturation of germinal center B cells after influenza virus vaccination in humans.
J.Exp.Med., 221, 2024
3ZKP
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BU of 3zkp by Molmil
Structure of a mutant of P450 EryK in complex with erythromycin B.
分子名称: ERYTHROMYCIN C-12 HYDROXYLASE, Erythromycin B, PROTOPORPHYRIN IX CONTAINING FE
著者Montemiglio, L.C, Vallone, B, Savino, C.
登録日2013-01-24
公開日2013-05-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Redirecting P450 Eryk Specificity by Rational Site-Directed Mutagenesis.
Biochemistry, 52, 2013
6E9B
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BU of 6e9b by Molmil
Bacteroides ovatus mixed-linkage glucan utilization locus (MLGUL) SGBP-B in complex with mixed-linkage heptasaccharide
分子名称: Mixed-linkage glucan utilization locus (MLGUL) SGBP-B, SULFATE ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
著者Tamura, K, Gardill, B.R, Brumer, H, Van Petegem, F.
登録日2018-07-31
公開日2019-05-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Surface glycan-binding proteins are essential for cereal beta-glucan utilization by the human gut symbiont Bacteroides ovatus.
Cell.Mol.Life Sci., 76, 2019
3GZX
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BU of 3gzx by Molmil
Crystal Structure of the Biphenyl Dioxygenase in complex with Biphenyl from Comamonas testosteroni Sp. Strain B-356
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BIPHENYL, Biphenyl dioxygenase subunit alpha, ...
著者Kumar, P, Colbert, C.L, Bolin, J.T.
登録日2009-04-08
公開日2010-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural Characterization of Pandoraea pnomenusa B-356 Biphenyl Dioxygenase Reveals Features of Potent Polychlorinated Biphenyl-Degrading Enzymes
Plos One, 8, 2013
3WD4
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BU of 3wd4 by Molmil
Serratia marcescens Chitinase B complexed with azide inhibitor and quinoline compound
分子名称: (E)-N-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine, Chitinase B, GLYCEROL, ...
著者Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T.
登録日2013-06-06
公開日2013-09-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor
Proc.Natl.Acad.Sci.USA, 110, 2013
3WD2
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BU of 3wd2 by Molmil
Serratia marcescens Chitinase B complexed with azide inhibitor
分子名称: Chitinase B, DITHIANE DIOL, GLYCEROL, ...
著者Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T.
登録日2013-06-06
公開日2013-09-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor
Proc.Natl.Acad.Sci.USA, 110, 2013
4HAW
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BU of 4haw by Molmil
Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(K548A)-Ran-RanBP1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
著者Sun, Q, Chook, Y.M.
登録日2012-09-27
公開日2013-01-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HB4
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BU of 4hb4 by Molmil
Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(537DLTVK541/GLCEQ)-Ran-RanBP1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
著者Sun, Q, Chook, Y.M.
登録日2012-09-27
公開日2013-01-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
3D80
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BU of 3d80 by Molmil
Structural Analysis of a Holo Enzyme Complex of Mouse Dihydrofolate Reductase with NADPH and a Ternary Complex wtih the Potent and Selective Inhibitor 2,4-Diamino-6-(2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine
分子名称: (4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol, Dihydrofolate reductase, GLYCEROL, ...
著者Cody, V.
登録日2008-05-22
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural analysis of a holoenzyme complex of mouse dihydrofolate reductase with NADPH and a ternary complex with the potent and selective inhibitor 2,4-diamino-6-(2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine.
Acta Crystallogr.,Sect.D, 64, 2008
1OZ1
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BU of 1oz1 by Molmil
P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR
分子名称: 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL, Mitogen-activated protein kinase 14
著者Lovejoy, B, Villasenor, A, Browner, M, Dunten, P.
登録日2003-04-07
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase.
J.Med.Chem., 46, 2003
4HAZ
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BU of 4haz by Molmil
Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(R543S,K548E,K579Q)-Ran-RanBP1
分子名称: CHLORIDE ION, Exportin-1, GTP-binding nuclear protein Ran, ...
著者Sun, Q, Chook, Y.M.
登録日2012-09-27
公開日2013-01-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013

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