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2XYC
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CRYSTAL STRUCTURE OF NCAM2 IGIV-FN3I
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NEURAL CELL ADHESION MOLECULE 2, ...
著者Kulahin, N, Rasmussen, K.K, Kristensen, O, Berezin, V, Bock, E, Walmod, P.S, Gajhede, M.
登録日2010-11-17
公開日2011-02-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural Model and Trans-Interaction of the Entire Ectodomain of the Olfactory Cell Adhesion Molecule.
Structure, 19, 2011
2Y37
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The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
分子名称: 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
著者Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T.N, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V.
登録日2010-12-19
公開日2011-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
2XN2
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Structure of alpha-galactosidase from Lactobacillus acidophilus NCFM with galactose
分子名称: ALPHA-GALACTOSIDASE, GLYCEROL, IMIDAZOLE, ...
著者Fredslund, F, Abou Hachem, M, Larsen, R.J, Sorensen, P.G, Lo Leggio, L, Svensson, B.
登録日2010-07-30
公開日2011-08-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal Structure of Alpha-Galactosidase from Lactobacillus Acidophilus Ncfm: Insight Into Tetramer Formation and Substrate Binding.
J.Mol.Biol., 412, 2011
2Y2V
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Nonaged form of Mouse Acetylcholinesterase inhibited by sarin-Update
分子名称: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-ETHOXYETHANOL, ...
著者Akfur, C, Artursson, E, Ekstrom, F.
登録日2010-12-16
公開日2011-11-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Methylphosphonate Adducts of Acetylcholinesterase Investigated by Time Correlated Single Photon Counting and X-Ray Crystallography
To be Published
2Y5E
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BARLEY LIMIT DEXTRINASE IN COMPLEX WITH ALPHA-CYCLODEXTRIN
分子名称: CALCIUM ION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, ...
著者Vester-Christensen, M.B, Hachem, M.A, Svensson, B, Henriksen, A.
登録日2011-01-13
公開日2011-01-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Crystal Structure of an Essential Enzyme in Seed Starch Degradation: Barley Limit Dextrinase in Complex with Cyclodextrins.
J.Mol.Biol., 403, 2010
2Y64
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Xylopentaose binding mutated (X-2 L110F) CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase
分子名称: CALCIUM ION, XYLANASE, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M.
登録日2011-01-19
公開日2012-03-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules.
Glycobiology, 22, 2012
2Y6G
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Cellopentaose binding mutated (X-2 L110F) CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase
分子名称: CALCIUM ION, XYLANASE, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M.
登録日2011-01-21
公開日2012-03-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules.
Glycobiology, 22, 2012
3HA8
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BU of 3ha8 by Molmil
THE COMPLEX STRUCTURE OF THE MAP KINASE P38/Compound 14b
分子名称: Mitogen-activated protein kinase 14, N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide
著者Zhao, B, Clark, M.A.
登録日2009-05-01
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Design, synthesis and selection of DNA-encoded small-molecule libraries.
Nat.Chem.Biol., 5, 2009
2YQ9
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Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation V321A, crystallized with 2'-AMP
分子名称: 2', 3'-CYCLIC-NUCLEOTIDE 3'-PHOSPHODIESTERASE, ADENOSINE-2'-MONOPHOSPHATE
著者Myllykoski, M, Raasakka, A, Lehtimaki, M, Han, H, Kursula, P.
登録日2012-11-07
公開日2013-07-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic Analysis of the Reaction Cycle of 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase, a Unique Member of the 2H Phosphoesterase Family
J.Mol.Biol., 425, 2013
2Y6L
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Xylopentaose binding X-2 engineered mutated CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase
分子名称: CALCIUM ION, XYLANASE, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M.
登録日2011-01-24
公開日2012-03-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules.
Glycobiology, 22, 2012
2Y73
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THE NATIVE STRUCTURES OF SOLUBLE HUMAN PRIMARY AMINE OXIDASE AOC3
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, CALCIUM ION, ...
著者Elovaara, H, Kidron, H, Parkash, V, Nymalm, Y, Bligt, E, Ollikka, P, Smith, D.J, Pihlavisto, M, Salmi, M, Jalkanen, S, Salminen, T.A.
登録日2011-01-28
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of Two Imidazole Binding Sites and Key Residues for Substrate Specificity in Human Primary Amine Oxidase Aoc3.
Biochemistry, 50, 2011
3HEC
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P38 in complex 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, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Namboodiri, H.V, Karpusas, M.
登録日2009-05-08
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Analysis of imatinib and sorafenib binding to p38alpha compared with c-Abl and b-Raf provides structural insights for understanding the selectivity of inhibitors targeting the DFG-out form of protein kinases.
Biochemistry, 49, 2010
3HEG
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P38 in complex with Sorafenib
分子名称: 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Mitogen-activated protein kinase 14
著者Namboodiri, H.V, Karpusas, M.
登録日2009-05-08
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Analysis of imatinib and sorafenib binding to p38alpha compared with c-Abl and b-Raf provides structural insights for understanding the selectivity of inhibitors targeting the DFG-out form of protein kinases.
Biochemistry, 49, 2010
3EDN
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BU of 3edn by Molmil
Crystal structure of the Bacillus anthracis phenazine biosynthesis protein, PhzF family
分子名称: MAGNESIUM ION, Phenazine biosynthesis protein, PhzF family, ...
著者Anderson, S.M, Brunzelle, J.S, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2008-09-03
公開日2008-10-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the Bacillus anthracis phenazine biosynthesis protein, PhzF family
To be Published
3GU7
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BU of 3gu7 by Molmil
Crystal structure of DAPKQ23V-ADP-Mg2+
分子名称: ADENOSINE-5'-DIPHOSPHATE, Death-associated protein kinase 1, MAGNESIUM ION
著者McNamara, L.K, Schavocky, J.S, Watterson, D.M, Brunzelle, J.S.
登録日2009-03-28
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Enzyme activity and crystallographic analyses of a glycine-rich loop mutant of DAPK
To be Published
3GU6
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Crystal structure of DAPKQ23V-ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Death-associated protein kinase 1
著者McNamara, L.K, Schavocky, J.S, Watterson, D.M, Brunzelle, J.S.
登録日2009-03-28
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Enzymatic activity and crystallographic analyses of a glycine-rich loop mutant of DAPK
To be Published
3GU5
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Crystal structure of DAPKQ23V-AMPPNP-Mg2+
分子名称: Death-associated protein kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者McNamara, L.K, Schavocky, J.S, Watterson, D.M, Brunzelle, J.S.
登録日2009-03-28
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Enzyme activity and crystallographic analyses of a glycine-rich loop mutant of DAPK
To be Published
3HV4
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Human p38 MAP Kinase in Complex with RL51
分子名称: 1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ...
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2009-06-15
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010
3HL7
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Crystal Structure of Human p38alpha complexed with SD-0006
分子名称: 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol, Mitogen-activated protein kinase 14
著者Shieh, H.-S, Kurumbail, R.G, Stegeman, R.A, Williams, J.M.
登録日2009-05-26
公開日2009-07-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804.
Biochemistry, 48, 2009
3HLL
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Crystal Structure of Human p38alpha complexed with PH-797804
分子名称: 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide, HYPOPHOSPHITE, ...
著者Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G.
登録日2009-05-27
公開日2009-07-14
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804.
Biochemistry, 48, 2009
3HUB
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Human p38 MAP Kinase in Complex with Scios-469
分子名称: 2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Rauh, D.
登録日2009-06-13
公開日2010-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations.
J.Am.Chem.Soc., 132, 2010
4CBP
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BU of 4cbp by Molmil
Crystal structure of neural ectodermal development factor IMP-L2.
分子名称: GLYCEROL, NEURAL/ECTODERMAL DEVELOPMENT FACTOR IMP-L2
著者Kulahin, N, Kristensen, O, Brzozowski, M, Schluckebier, G, Meyts, P.D.
登録日2013-10-15
公開日2014-10-29
最終更新日2019-05-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Analysis of Imp-L2 Function
To be Published
4C1U
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Structure of the xylo-oligosaccharide specific solute binding protein from Bifidobacterium animalis subsp. lactis Bl-04 in complex with arabinoxylobiose
分子名称: PENTAETHYLENE GLYCOL, SUGAR TRANSPORTER SOLUTE-BINDING PROTEIN, alpha-L-arabinofuranose-(1-3)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Fredslund, F, Ejby, M, Vujicic-Zagar, A, Svensson, B, Slotboom, D.J, Abou Hachem, M.
登録日2013-08-13
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Arabinoxylo-Oligosaccharide Capture by the Probiotic Bifidobacterium Animalis Subsp. Lactis Bl-04
Mol.Microbiol., 90, 2013
3ECN
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Crystal structure of PDE8A catalytic domain in complex with IBMX
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ...
著者Wang, H, Yan, Z, Yang, S, Cai, J, Robinson, H, Ke, H.
登録日2008-09-01
公開日2008-11-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Kinetic and structural studies of phosphodiesterase-8A and implication on the inhibitor selectivity
Biochemistry, 47, 2008
3EFX
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Novel binding site identified in a hybrid between cholera toxin and heat-labile enterotoxin, 1.9A crystal structure reveals the details
分子名称: Cholera enterotoxin subunit B, Heat-labile enterotoxin B chain, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]beta-D-glucopyranose
著者Holmner, A, Lebens, M, Teneberg, S, Angstrom, J, Okvist, M, Krengel, U.
登録日2008-09-10
公開日2008-09-23
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Novel binding site identified in a hybrid between cholera toxin and heat-labile enterotoxin: 1.9 A crystal structure reveals the details
Structure, 12, 2004

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