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5NDA
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BU of 5nda by Molmil
NMR Structural Characterisation of Pharmaceutically Relevant Proteins Obtained Through a Novel Recombinant Production: The Case of The Pulmonary Surfactant Polypeptide C Analogue rSP-C33Leu.
分子名称: rSP-C33Leu -RECOMBINANT PULMONARY SURFACTANT-ASSOCIATED POLYPEPTIDE C ANALOGUE-
著者Venturi, L, Pioselli, B, Johansson, J, Rising, A, Kronqvist, N, Nordling, K.
登録日2017-03-08
公開日2017-06-07
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Efficient protein production inspired by how spiders make silk.
Nat Commun, 8, 2017
5NVF
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BU of 5nvf by Molmil
Crystal structure of TNKS2 in complex with 2-[4-(pyridin-2-yl)phenyl]-3,4-dihydroquinazolin-4-one
分子名称: 2-(4-pyridin-2-ylphenyl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
著者Nkizinkiko, Y, Haikarainen, T, Lehtio, L.
登録日2017-05-04
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors.
Sci Rep, 8, 2018
5NVH
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BU of 5nvh by Molmil
Crystal structure of TNKS2 in complex with 2-[4-(piperidin-1-yl)phenyl]-3,4-dihydroquinazolin-4-one
分子名称: 2-(4-piperidin-1-ylphenyl)-3~{H}-quinazolin-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Nkizinkiko, Y, Haikarainen, T, Lehtio, L.
登録日2017-05-04
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors.
Sci Rep, 8, 2018
5O0S
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BU of 5o0s by Molmil
Crystal structure of txGH116 (beta-glucosidase from Thermoanaerobacterium xylolyticum) in complex with unreacted beta Cyclophellitol Cyclosulfate probe ME711
分子名称: (3~{a}~{S},4~{R},5~{S},6~{R},7~{R},7~{a}~{R})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Wu, L, Offen, W.A, Breen, I.Z, Davies, G.J.
登録日2017-05-16
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
4UDJ
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BU of 4udj by Molmil
Crystal structure of b-1,4-mannopyranosyl-chitobiose phosphorylase at 1.60 Angstrom in complex with beta-D-mannopyranose and inorganic phosphate
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, POTASSIUM ION, ...
著者Ladeveze, S, Cioci, G, Potocki-Veronese, G, Tranier, S, Mourey, L.
登録日2014-12-10
公開日2015-05-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural Bases for N-Glycan Processing by Mannoside Phosphorylase.
Acta Crystallogr.,Sect.D, 71, 2015
8QEL
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BU of 8qel by Molmil
PKR kinase domain- eIF2alpha in complex with compound
分子名称: (3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide, Eukaryotic translation initiation factor 2 subunit alpha, Interferon-induced, ...
著者Nawrotek, A, Vuillard, L, Miallau, L.
登録日2023-08-31
公開日2023-09-13
実験手法X-RAY DIFFRACTION (2.451 Å)
主引用文献PKR kinase domain- eIF2alpha in complex with compound
To Be Published
2BC9
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BU of 2bc9 by Molmil
Crystal-structure of the N-terminal large GTPase Domain of human Guanylate Binding protein 1 (hGBP1) in complex with non-hydrolysable GTP analogue GppNHp
分子名称: Interferon-induced guanylate-binding protein 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Ghosh, A, Praefcke, G.J.K, Renault, L, Wittinghofer, A, Herrmann, C.
登録日2005-10-19
公開日2006-03-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献How guanylate-binding proteins achieve assembly-stimulated processive cleavage of GTP to GMP.
Nature, 440, 2006
4UDK
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BU of 4udk by Molmil
Crystal structure of b-1,4-mannopyranosyl-chitobiose phosphorylase at 1.76 Angstrom from unknown human gut bacteria (Uhgb_MP) in complex with N-acetyl-D-glucosamine, beta-D-mannopyranose and inorganic phosphate
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose, GLYCEROL, ...
著者Ladeveze, S, Cioci, G, Potocki-Veronese, G, Tranier, S, Mourey, L.
登録日2014-12-10
公開日2015-05-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural Bases for N-Glycan Processing by Mannoside Phosphorylase.
Acta Crystallogr.,Sect.D, 71, 2015
3GU3
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BU of 3gu3 by Molmil
Crystal Structure of the methyltransferase BC_2162 in complex with S-Adenosyl-L-Homocysteine from Bacillus cereus, Northeast Structural Genomics Consortium Target BcR20
分子名称: ACETATE ION, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Forouhar, F, Neely, H, Seetharaman, J, Ciano, C, Ma, L, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2009-03-28
公開日2009-04-07
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Northeast Structural Genomics Consortium Target BcR20
To be Published
5BTU
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BU of 5btu by Molmil
The structure of Diels-Alderase PyrI4 in the biosynthetic pathway of pyrroindomycins
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, PyrI4
著者Pan, L, Guo, Y, Liu, J.
登録日2015-06-03
公開日2016-02-24
最終更新日2016-03-30
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4
Cell Chem Biol, 23, 2016
5BU3
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BU of 5bu3 by Molmil
Crystal Structure of Diels-Alderase PyrI4 in complex with its product
分子名称: (4S,4aS,6aS,8R,9R,10aR,13R,14aS,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1H-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15H,17H)-dione, GLYCEROL, PyrI4
著者Pan, L, Guo, Y, Liu, J.
登録日2015-06-03
公開日2016-02-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4
Cell Chem Biol, 23, 2016
1UYL
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BU of 1uyl by Molmil
Structure-Activity Relationships in purine-based inhibitor binding to HSP90 isoforms
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E.
登録日2004-03-02
公開日2004-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
1UY6
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BU of 1uy6 by Molmil
Human Hsp90-alpha with 9-Butyl-8-(3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine
分子名称: 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-9H-PURIN-6-AMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E.
登録日2004-03-02
公開日2004-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
4OHL
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BU of 4ohl by Molmil
LEOPARD Syndrome-Associated SHP2/T468M mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
登録日2014-01-17
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
5DOL
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BU of 5dol by Molmil
Crystal structure of YabA amino-terminal domain from Bacillus subtilis
分子名称: Initiation-control protein YabA
著者Cherrier, M.V, Bazin, A, Jameson, K.H, Wilkinson, A.J, Noirot-Gros, M.F, Terradot, L.
登録日2015-09-11
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Tetramerization and interdomain flexibility of the replication initiation controller YabA enables simultaneous binding to multiple partners.
Nucleic Acids Res., 44, 2016
4OHD
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BU of 4ohd by Molmil
LEOPARD Syndrome-Associated SHP2/A461T mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
登録日2014-01-17
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
5EC5
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BU of 5ec5 by Molmil
Crystal structure of lysenin pore
分子名称: Lysenin, MERCURIBENZOIC ACID, MERCURY (II) ION
著者Podobnik, M, Savory, P, Rojko, N, Kisovec, M, Bruce, M, Jayasinghe, L, Anderluh, G.
登録日2015-10-20
公開日2016-05-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of an invertebrate cytolysin pore reveals unique properties and mechanism of assembly.
Nat Commun, 7, 2016
3GW7
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BU of 3gw7 by Molmil
Crystal structure of a metal-dependent phosphohydrolase with conserved HD domain (yedJ) from Escherichia coli in complex with nickel ions. Northeast Structural Genomics Consortium Target ER63
分子名称: NICKEL (II) ION, Uncharacterized protein yedJ
著者Forouhar, F, Abashidze, M, Seetharaman, J, Janjua, J, Xiao, R, Cunningham, K, Ma, L, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2009-03-31
公開日2009-04-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of a metal-dependent phosphohydrolase with conserved HD domain (yedJ) from Escherichia coli in complex with nickel ions. Northeast Structural Genomics Consortium Target ER63
To be Published
1TR7
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BU of 1tr7 by Molmil
FimH adhesin receptor binding domain from uropathogenic E. coli
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, FimH protein, ...
著者Bouckaert, J, Berglund, J, Schembri, M, De Genst, E, Cools, L, Wuhrer, M, Hung, C.S, Pinkner, J, Slattegard, R, Zavialov, A, Choudhury, D, Langermann, S, Hultgren, S.J, Wyns, L, Klemm, P, Oscarson, S, Knight, S.D, De Greve, H.
登録日2004-06-21
公開日2005-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Receptor binding studies disclose a novel class of high-affinity inhibitors of the Escherichia coli FimH adhesin
Mol.Microbiol., 55, 2005
3TK9
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BU of 3tk9 by Molmil
Crystal structure of human granzyme H
分子名称: Granzyme H, SULFATE ION
著者Wang, L, Zhang, K, Wu, L, Tong, L, Sun, F, Fan, Z.
登録日2011-08-25
公開日2011-12-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into the substrate specificity of human granzyme H: the functional roles of a novel RKR motif
J.Immunol., 188, 2012
2LB6
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BU of 2lb6 by Molmil
Structure of 18694Da MUP, typical to the major urinary protein family: MUP9, MUP11, MUP15, MUP18 & MUP19
分子名称: Major urinary protein 6
著者Phelan, M.M, Mclean, L, Beynon, R.J, Hurst, J.L, Lian, L.
登録日2011-03-23
公開日2012-03-28
最終更新日2023-12-06
実験手法SOLUTION NMR
主引用文献Structural insights into the specificity of darcin, an atypical major urinary protein.
To be Published
1UNL
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BU of 1unl by Molmil
Structural mechanism for the inhibition of CD5-p25 from the roscovitine, aloisine and indirubin.
分子名称: CYCLIN-DEPENDENT KINASE 5, CYCLIN-DEPENDENT KINASE 5 ACTIVATOR 1, R-ROSCOVITINE
著者Mapelli, M, Crovace, C, Massimiliano, L, Musacchio, A.
登録日2003-09-10
公開日2004-11-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism of Cdk5/P25 Binding by Cdk Inhibitors
J.Med.Chem., 48, 2005
1UYK
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BU of 1uyk by Molmil
Human Hsp90-alpha with 8-Benzo[1,3]dioxol-,5-ylmethyl-9-butyl-2-fluoro-9H-purin-6-ylamine
分子名称: 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E.
登録日2004-03-02
公開日2004-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
3TJV
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BU of 3tjv by Molmil
Crystal structure of human granzyme H with a peptidyl substrate
分子名称: Granzyme H, PTSYAGDDSG, SULFATE ION
著者Wang, L, Zhang, K, Wu, L, Tong, L, Sun, F, Fan, Z.
登録日2011-08-25
公開日2011-12-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into the substrate specificity of human granzyme H: the functional roles of a novel RKR motif
J.Immunol., 188, 2012
3OEZ
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BU of 3oez by Molmil
crystal structure of the L317I mutant of the chicken c-Src tyrosine kinase domain complexed with imatinib
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, ACETATE ION, GLYCEROL, ...
著者Boubeva, R, Pernot, L, Perozzo, R, Scapozza, L.
登録日2010-08-13
公開日2011-08-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献a single amino-acid dictates the dynamics of the switch between active and inactive C-Src conformation
To be Published

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