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5G51
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High resolution structure of the part of VP3 protein of Deformed Wing Virus forming P-domain
分子名称: DWV-VP3-P-DOMAIN
著者Skubnik, K, Novacek, J, Fuzik, T, Pridal, A, Paxton, R, Plevka, P.
登録日2016-05-18
公開日2017-03-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of deformed wing virus, a major honey bee pathogen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5AOT
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Very high resolution structure of a novel carbohydrate binding module from Ruminococcus flavefaciens FD-1 endoglucanase Cel5A
分子名称: CACODYLATE ION, Carbohydrate binding module, GLYCEROL
著者Pires, A.J, Ribeiro, T, Thompson, A, Venditto, I, Fernandes, V.O, Bule, P, Santos, H, Alves, V.D, Pires, V, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
登録日2015-09-11
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5AOS
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BU of 5aos by Molmil
Structure of a novel carbohydrate binding module from Ruminococcus flavefaciens FD-1 endoglucanase Cel5A solved at the As edge
分子名称: CACODYLATE ION, Carbohydrate binding module, GLYCEROL
著者Pires, A.J, Ribeiro, T, Thompson, A, Venditto, I, Fernandes, V.O, Bule, P, Santos, H, Alves, V.D, Pires, V, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
登録日2015-09-11
公開日2016-06-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6CP5
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BU of 6cp5 by Molmil
Monomer yeast ATP synthase Fo reconstituted in nanodisc with inhibitor of oligomycin bound generated from focused refinement.
分子名称: ATP synthase protein 8, ATP synthase subunit 4, mitochondrial, ...
著者Srivastava, A.P, Luo, M, Symersky, J, Liao, M.F, Mueller, D.M.
登録日2018-03-13
公開日2018-04-11
最終更新日2020-01-15
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献High-resolution cryo-EM analysis of the yeast ATP synthase in a lipid membrane.
Science, 360, 2018
4ZTJ
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Crystal Structure of the Prototype Foamy Virus Intasome with a 2-Pyridinone Aminal Inhibitor
分子名称: (1R,2S,5R)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ...
著者Klein, D.J, Patel, S.
登録日2015-05-14
公開日2015-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors.
J.Med.Chem., 58, 2015
5EU5
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BU of 5eu5 by Molmil
HLA Class I antigen
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
著者Rizkallah, P.J, Bianchi, V, Cole, D.K, Sewell, A.K.
登録日2015-11-18
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献A Molecular Switch Abrogates Glycoprotein 100 (gp100) T-cell Receptor (TCR) Targeting of a Human Melanoma Antigen.
J.Biol.Chem., 291, 2016
5C9O
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BU of 5c9o by Molmil
Crystal structure of recombinant PLL lectin from Photorhabdus luminescens at 1.5 A resolution
分子名称: GLYCEROL, PLL lectin
著者Kumar, A, Sykorova, P, Demo, G, Dobes, P, Hyrsl, P, Wimmerova, M.
登録日2015-06-28
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Novel Fucose-binding Lectin from Photorhabdus luminescens (PLL) with an Unusual Heptabladed beta-Propeller Tetrameric Structure.
J.Biol.Chem., 291, 2016
6CUN
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BU of 6cun by Molmil
Engineered Cytochrome c from Rhodothermus marinus (Rma TDE) bound to carbene intermediate (1-ethoxy-1-oxopropan-2-ylidene)
分子名称: Cytochrome c, ETHYL PROPIONATE, HEME C
著者Lewis, R.D, Buller, A.R, Arnold, F.H.
登録日2018-03-26
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Catalytic iron-carbene intermediate revealed in a cytochromeccarbene transferase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7YJ6
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BU of 7yj6 by Molmil
Crystal structure of Stenoloma chusanum chalcone synthase 1 (ScCHS1) complex with CoA
分子名称: COENZYME A, chalcone synthase 1 (ScCHS1)
著者Li, J.X, Cheng, A.X, Zhang, P.
登録日2022-07-19
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.704 Å)
主引用文献Molecular and structural characterization of a promiscuous chalcone synthase from the fern species Stenoloma chusanum.
J Integr Plant Biol, 64, 2022
7YJA
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Crystal structure of Stenoloma chusanum chalcone synthase 1 (ScCHS1) complex with CoA and Pinocembrin
分子名称: COENZYME A, chalcone synthase 1 (ScCHS1), pinocembrin
著者Li, J.X, Cheng, A.X, Zhang, P.
登録日2022-07-19
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Molecular and structural characterization of a promiscuous chalcone synthase from the fern species Stenoloma chusanum.
J Integr Plant Biol, 64, 2022
6DKK
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BU of 6dkk by Molmil
Structure of BoNT
分子名称: Botulinum neurotoxin type A, PHOSPHATE ION
著者Lam, K, Jin, R.
登録日2018-05-29
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A viral-fusion-peptide-like molecular switch drives membrane insertion of botulinum neurotoxin A1.
Nat Commun, 9, 2018
1MAG
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BU of 1mag by Molmil
GRAMICIDIN A IN HYDRATED DMPC BILAYERS, SOLID STATE NMR
分子名称: GRAMICIDIN A
著者Ketchem, R.R, Roux, B, Cross, T.A.
登録日1996-06-06
公開日1997-01-11
最終更新日2023-11-15
実験手法SOLID-STATE NMR
主引用文献Macromolecular Structural Elucidation with Solid-State NMR-Derived Orientational Constraints.
J.Biomol.NMR, 8, 1996
4C93
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BU of 4c93 by Molmil
Crystal structure of the carboxy-terminal domain of yeast Ctf4 bound to Pol alpha.
分子名称: DNA POLYMERASE ALPHA CATALYTIC SUBUNIT A, DNA POLYMERASE ALPHA-BINDING PROTEIN
著者Simon, A.C, Pellegrini, L.
登録日2013-10-02
公開日2014-04-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.694 Å)
主引用文献A Ctf4 Trimer Couples the Cmg Helicase to DNA Polymerase a in the Eukaryotic Replisome
Nature, 510, 2014
2X4T
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BU of 2x4t by Molmil
Crystal structure of MHC CLass I HLA-A2.1 bound to a Peiodate- cleavable peptide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 65 KDA PHOSPHOPROTEIN, BETA-2-MICROGLOBULIN, ...
著者Rodenko, B, Toebes, M, Celie, P.H.N, Perrakis, A, Schumacher, T.N.M, Ovaa, H.
登録日2010-02-02
公開日2010-03-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger.
J.Am.Chem.Soc., 131, 2009
4BN1
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BU of 4bn1 by Molmil
Crystal structure of V174M mutant of Aurora-A kinase
分子名称: ADENOSINE-5'-DIPHOSPHATE, AURORA KINASE A, CALCIUM ION
著者Bibby, R.A, Bayliss, R.
登録日2013-05-13
公開日2014-03-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Insights Into Aurora-A Kinase Activation Using Unnatural Amino Acids Incorporated by Chemical Modification.
Acs Chem.Biol., 8, 2013
5DDK
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BU of 5ddk by Molmil
Succinyl-CoA:acetate CoA-transferase (AarCH6-N347A) in complex with CoA
分子名称: Acetyl-CoA hydrolase, CHLORIDE ION, COENZYME A, ...
著者Kappock, T.J, Mullins, E.A, Murphy, J.R.
登録日2015-08-25
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.127 Å)
主引用文献Functional Dissection of the Bipartite Active Site of the Class I Coenzyme A (CoA)-Transferase Succinyl-CoA:Acetate CoA-Transferase.
Front Chem, 4, 2016
5DN3
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BU of 5dn3 by Molmil
Aurora A in complex with ATP and AA35.
分子名称: 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ...
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.
登録日2015-09-09
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5DR2
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BU of 5dr2 by Molmil
Aurora A Kinase in Complex with AA30 and ATP in Space Group P6122
分子名称: 2-(3-bromophenyl)quinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ...
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
登録日2015-09-15
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
4C3R
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BU of 4c3r by Molmil
Structure of dephosphorylated Aurora A (122-403) bound to AMPPCP
分子名称: AURORA KINASE A, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Zorba, A, Kutter, S, Cho, Y.-J, Kern, D.
登録日2013-08-26
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Molecular Mechanism of Aurora a Kinase Autophosphorylation and its Allosteric Activation by Tpx2.
Elife, 3, 2014
5DT4
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Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122
分子名称: 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ...
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
登録日2015-09-17
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
6KDX
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BU of 6kdx by Molmil
Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor
分子名称: MAGNESIUM ION, N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine, ZINC ION, ...
著者Amano, Y, Honbou, K.
登録日2019-07-03
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem., 27, 2019
4C3P
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BU of 4c3p by Molmil
Structure of dephosphorylated Aurora A (122-403) bound to TPX2 and AMPPCP
分子名称: AURORA KINASE A, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION, ...
著者Zorba, A, Kutter, S, Kern, D.
登録日2013-08-26
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Molecular Mechanism of Aurora a Kinase Autophosphorylation and its Allosteric Activation by Tpx2.
Elife, 3, 2014
6KDZ
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Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor
分子名称: 4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol, MAGNESIUM ION, ZINC ION, ...
著者Amano, Y, Honbou, K.
登録日2019-07-03
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem., 27, 2019
4AOC
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BU of 4aoc by Molmil
crystal structure of BC2L-A Lectin from Burkolderia cenocepacia in complex with methyl-heptoside
分子名称: BC2L-A LECTIN, CALCIUM ION, SULFATE ION, ...
著者Marchetti, R, Malinovska, L, Lameignere, E, deCastro, C, Cioci, G, Kosma, P, Wimmerova, M, Molinaro, A, Imberty, A, Silipo, A.
登録日2012-03-26
公開日2012-08-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Burkholderia Cenocepacia Lectin a Binding to Heptoses from the Bacterial Lipopolysaccharide.
Glycobiology, 22, 2012
5DR9
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Aurora A Kinase in Complex with AA29 and JNJ-7706621 in Space Group P6122
分子名称: 2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
登録日2015-09-15
公開日2016-07-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016

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