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4ZAA
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Structure of A. niger Fdc1 in complex with 4-vinyl guaiacol
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, 2-Methoxy-4-vinylphenol, ...
著者Payne, K.A.P, Leys, D.
登録日2015-04-13
公開日2015-06-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.242 Å)
主引用文献New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
5CSJ
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S100B-RSK1 crystal structure B
分子名称: CALCIUM ION, CHLORIDE ION, Protein S100-B, ...
著者Gogl, G, Nyitray, L.
登録日2015-07-23
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis of Ribosomal S6 Kinase 1 (RSK1) Inhibition by S100B Protein: MODULATION OF THE EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) SIGNALING CASCADE IN A CALCIUM-DEPENDENT WAY.
J.Biol.Chem., 291, 2016
8BFZ
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BU of 8bfz by Molmil
Amyloid-beta 42 filaments extracted from the human brain with Arctic mutation (E22G) of Alzheimer's disease | ABeta42
分子名称: Amyloid-beta precursor protein
著者Yang, Y, Zhang, W.J, Murzin, A.G, Schweighauser, M, Huang, M, Lovestam, S.K.A, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Ghetti, B, Graff, C, Kumar, A, Nordberg, A, Goedert, M, Scheres, S.H.W.
登録日2022-10-27
公開日2023-01-18
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-EM structures of amyloid-beta filaments with the Arctic mutation (E22G) from human and mouse brains.
Acta Neuropathol, 145, 2023
8BP2
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BU of 8bp2 by Molmil
2.8A STRUCTURE OF ZOLIFLODACIN WITH S.AUREUS DNA GYRASE AND DNA
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (20-MER), DNA gyrase subunit A, ...
著者Bax, B.D, Morgan, H, Warren, A.J.
登録日2022-11-15
公開日2023-02-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A 2.8 angstrom Structure of Zoliflodacin in a DNA Cleavage Complex with Staphylococcus aureus DNA Gyrase.
Int J Mol Sci, 24, 2023
1UXX
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BU of 1uxx by Molmil
CBM6ct from Clostridium thermocellum in complex with xylopentaose
分子名称: CALCIUM ION, XYLANASE U, 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Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Henrissat, D.B.B, Gilbert, H.J.
登録日2004-03-01
公開日2004-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities
J.Biol.Chem., 279, 2004
6HYE
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BU of 6hye by Molmil
PDX1.2/PDX1.3 complex (PDX1.3:K97A)
分子名称: Pyridoxal 5'-phosphate synthase subunit PDX1.3, Pyridoxal 5'-phosphate synthase-like subunit PDX1.2, SULFATE ION
著者Robinson, G.C, Kaufmann, M, Roux, C, Martinez-Font, J, Hothorn, M, Thore, S, Fitzpatrick, T.B.
登録日2018-10-20
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Crystal structure of the pseudoenzyme PDX1.2 in complex with its cognate enzyme PDX1.3: a total eclipse.
Acta Crystallogr D Struct Biol, 75, 2019
5CX8
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BU of 5cx8 by Molmil
Structure of RagB, a major immunodominant virulence factor of Porphyromonas gingivalis.
分子名称: 3-deoxy-5-O-phosphono-beta-D-ribofuranose, 3-deoxy-beta-D-glucopyranose, 6-O-phosphono-D-tagatose, ...
著者Goulas, T, Garcia-Ferrer, I, Hutcherson, J.A, Potempa, B.A, Potempa, J, Scott, D.A, Gomis-Ruth, F.X.
登録日2015-07-28
公開日2015-10-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of RagB, a major immunodominant outer-membrane surface receptor antigen of Porphyromonas gingivalis.
Mol Oral Microbiol, 31, 2016
5ZJQ
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BU of 5zjq by Molmil
Structure of AbdB/Exd complex bound to a 'Red14' DNA sequence
分子名称: DNA (5'-D(*GP*CP*AP*TP*GP*AP*TP*TP*TP*AP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*TP*AP*AP*AP*TP*CP*AP*TP*GP*C)-3'), Homeobox protein abdominal-B, ...
著者Baburajendran, N, Zeiske, T, Kaczynska, A, Mann, R, Honig, B, Shapiro, L, Palmer, A.G.
登録日2018-03-22
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.443 Å)
主引用文献Intrinsic DNA Shape Accounts for Affinity Differences between Hox-Cofactor Binding Sites.
Cell Rep, 24, 2018
1LND
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BU of 1lnd by Molmil
A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, LYSINE, ...
著者Holland, D.R, Hausrath, A.C, Juers, D, Matthews, B.W.
登録日1994-05-13
公開日1995-05-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural analysis of zinc substitutions in the active site of thermolysin.
Protein Sci., 4, 1995
4ZA8
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BU of 4za8 by Molmil
Crystal structure of A niger Fdc1 in complex with penta-fluorocinnamic acid
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, MANGANESE (II) ION, ...
著者Payne, K.A.P, Leys, D.
登録日2015-04-13
公開日2015-06-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
4ZAB
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BU of 4zab by Molmil
Structure of A. niger Fdc1 in complex with alpha-fluoro cinnamic acid
分子名称: (2Z)-2-fluoro-3-phenylprop-2-enoic acid, 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, ...
著者Payne, K.A.P, Leys, D.
登録日2015-04-13
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
1LNB
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BU of 1lnb by Molmil
A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, FE (III) ION, ...
著者Holland, D.R, Hausrath, A.C, Juers, D, Matthews, B.W.
登録日1994-05-13
公開日1995-05-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of zinc substitutions in the active site of thermolysin.
Protein Sci., 4, 1995
1LJ0
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BU of 1lj0 by Molmil
Structure of quintuple mutant of the rat outer mitocondrial cytochrome b5.
分子名称: Cytochrome B5 outer mitochondrial membrane isoform, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Cowley, A.B, Altuve, A, Kuchment, O, Terzyan, S, Zhang, X.C, Rivera, M, Benson, D.
登録日2002-04-18
公開日2002-11-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Toward engineering the stability and hemin binding properties of microsomal cytochromes b5 into rat outer mitochondrial cytochrome b5: Examining the influence of residues 25 and 71.
Biochemistry, 41, 2002
7K60
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BU of 7k60 by Molmil
Cryo-EM structure of a chromatosome containing human linker histone H1.10
分子名称: DNA (197-MER), Histone H1.10, Histone H2A type 1-B/E, ...
著者Zhou, B.-R, Bai, Y.
登録日2020-09-17
公開日2020-11-25
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Distinct Structures and Dynamics of Chromatosomes with Different Human Linker Histone Isoforms.
Mol.Cell, 81, 2021
2OC8
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BU of 2oc8 by Molmil
Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH503034
分子名称: BETA-MERCAPTOETHANOL, Hepatitis C virus, ZINC ION, ...
著者Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R.S, Arasappan, A, Bennett, F, Bogen, S.L, Chen, K, Jao, E, Liu, Y.T, Lovey, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
登録日2006-12-20
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
5UYT
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BU of 5uyt by Molmil
Crystal structure of ice binding protein from an Antarctic bacterium Flavobacteriaceae
分子名称: Ice-binding protein, NITRATE ION
著者Wang, C, Pakhomova, S, Newcomer, M.E, Christner, B.C, Luo, B.-H.
登録日2017-02-24
公開日2017-10-25
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of antifreeze activity of a bacterial multi-domain antifreeze protein.
PLoS ONE, 12, 2017
5DKR
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BU of 5dkr by Molmil
Crystal Structure of Calcium-loaded S100B bound to SBi29
分子名称: 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide, CALCIUM ION, Protein S100-B
著者Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J.
登録日2015-09-03
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.742 Å)
主引用文献Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
J.Med.Chem., 59, 2016
3PYY
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BU of 3pyy by Molmil
Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site
分子名称: (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, ...
著者Yang, J, Campobasso, N, Biju, M.P, Fisher, K, Pan, X.Q, Cottom, J, Galbraith, S, Ho, T, Zhang, H, Hong, X, Ward, P, Hofmann, G, Siegfried, B.
登録日2010-12-13
公開日2011-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery and Characterization of a Cell-Permeable, Small-Molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site.
Chem.Biol., 18, 2011
3Q09
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BU of 3q09 by Molmil
Crystal Structure of Chlorite Dismutase from D. Aromatica at pH 9.0
分子名称: CALCIUM ION, Chlorite dismutase, NITRITE ION, ...
著者Goblirsch, B.R, Wilmot, C.M.
登録日2010-12-15
公開日2011-01-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural features promoting dioxygen production by Dechloromonas aromatica chlorite dismutase.
J.Biol.Inorg.Chem., 15, 2010
4F6H
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BU of 4f6h by Molmil
Mutagenesis of zinc ligand residue Cys221 reveals plasticity in the IMP-1 metallo-b-lactamase active site
分子名称: Beta-lactamase, PHOSPHATE ION, SULFATE ION, ...
著者Horton, L.B, Shanker, S, Sankaran, B, Mikulski, R, Brown, N.G, Phillips, K, Lykissa, E, Prasad, B.V.V, Palzkill, T.G.
登録日2012-05-14
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.744 Å)
主引用文献Mutagenesis of zinc ligand residue Cys221 reveals plasticity in the IMP-1 metallo-beta-lactamase active site
Antimicrob.Agents Chemother., 56, 2012
1LNA
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BU of 1lna by Molmil
A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN
分子名称: CALCIUM ION, COBALT (II) ION, DIMETHYL SULFOXIDE, ...
著者Holland, D.R, Hausrath, A.C, Juers, D, Matthews, B.W.
登録日1994-05-13
公開日1995-05-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of zinc substitutions in the active site of thermolysin.
Protein Sci., 4, 1995
5T0R
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BU of 5t0r by Molmil
Synaptotagmin 1 C2A domain, cadmium-bound
分子名称: CADMIUM ION, Synaptotagmin-1
著者Taylor, A.B, Hart, P.J, Igumenova, T.I.
登録日2016-08-16
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Non-Native Metal Ion Reveals the Role of Electrostatics in Synaptotagmin 1-Membrane Interactions.
Biochemistry, 56, 2017
5T0S
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BU of 5t0s by Molmil
Synaptotagmin 1 C2B domain, cadmium-bound
分子名称: CADMIUM ION, SODIUM ION, Synaptotagmin-1
著者Taylor, A.B, Hart, P.J, Igumenova, T.I.
登録日2016-08-16
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Non-Native Metal Ion Reveals the Role of Electrostatics in Synaptotagmin 1-Membrane Interactions.
Biochemistry, 56, 2017
5SYY
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BU of 5syy by Molmil
Crystal structure of the S324G variant of catalase-peroxidase from B. pseudomallei
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
著者Loewen, P.C.
登録日2016-08-12
公開日2016-09-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献B. pseudomallei KatG variant S324G
To be published
4C1S
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BU of 4c1s by Molmil
Glycoside hydrolase family 76 (mannosidase) Bt3792 from Bacteroides thetaiotaomicron VPI-5482
分子名称: 1,2-ETHANEDIOL, GLYCEROL, GLYCOSIDE HYDROLASE FAMILY 76 MANNOSIDASE
著者Cuskin, F, Lowe, E.C, Zhu, Y, Temple, M, Thompson, A.J, Cartmell, A, Piens, K, Bracke, D, Vervecken, W, Munoz-Munoz, J.L, Suits, M.D.L, Boraston, A.B, Williams, S.J, Davies, G.J, Abbott, W.D, Martens, E.C, Gilbert, H.J.
登録日2013-08-13
公開日2013-11-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism.
Nature, 517, 2015

223790

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