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3COD
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BU of 3cod by Molmil
Crystal Structure of T90A/D115A mutant of Bacteriorhodopsin
分子名称: Bacteriorhodopsin, RETINAL
著者Joh, N.H, Min, A, Faham, S, Bowie, J.U.
登録日2008-03-27
公開日2008-04-08
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Modest stabilization by most hydrogen-bonded side-chain interactions in membrane proteins.
Nature, 453, 2008
3CPT
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BU of 3cpt by Molmil
MP1-p14 Scaffolding complex
分子名称: Mitogen-activated protein kinase kinase 1-interacting protein 1, Mitogen-activated protein-binding protein-interacting protein
著者Schrag, J.D, Cygler, M, Munger, C, Magloire, A.
登録日2008-04-01
公開日2008-07-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular dynamics-solvated interaction energy studies of protein-protein interactions: the MP1-p14 scaffolding complex.
J.Mol.Biol., 379, 2008
3CWY
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BU of 3cwy by Molmil
Structure of CagD from H. pylori pathogenicity island crystallized in the presence of Cu(II) ions
分子名称: COPPER (II) ION, protein CagD
著者Cendron, L, Zanotti, G, Angelini, A, Barison, N, Couturier, M, Stein, M.
登録日2008-04-23
公開日2008-12-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The Helicobacter pylori CagD (HP0545, Cag24) protein is essential for CagA translocation and maximal induction of interleukin-8 secretion.
J.Mol.Biol., 386, 2009
8I0C
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BU of 8i0c by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703
分子名称: 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Jiang, J, He, S, Liu, Y, Fang, P, Sun, H.
登録日2023-01-10
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
3D2B
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BU of 3d2b by Molmil
Structure of 2D9, a thermostable mutant of Bacillus subtilis lipase obtained through directed evolution
分子名称: Lipase
著者Sankaranarayanan, R, Kamal, M.Z.
登録日2008-05-08
公開日2008-06-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Thermostable Bacillus subtilis lipases: in vitro evolution and structural insight
J.Mol.Biol., 381, 2008
3D5V
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BU of 3d5v by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain.
分子名称: Polo-like kinase 1
著者Elling, R.A, Fucini, R.V, Romanowski, M.J.
登録日2008-05-17
公開日2008-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of the wild-type and activated catalytic domains of Brachydanio rerio Polo-like kinase 1 (Plk1): changes in the active-site conformation and interactions with ligands.
Acta Crystallogr.,Sect.D, 64, 2008
2J6R
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BU of 2j6r by Molmil
FaeG from F4ac ETEC strain GIS26, produced in tobacco plant chloroplast
分子名称: K88 FIMBRIAL PROTEIN, PHOSPHATE ION
著者Van Molle, I, Joensuu, J.J, Buts, L, Panjikar, S, Kotiaho, M, Bouckaert, J, Wyns, L, Niklander-Teeri, V, De Greve, H.
登録日2006-10-03
公開日2007-04-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Chloroplasts Assemble the Major Subunit Faeg of Escherichia Coli F4 (K88) Fimbriae Into Strand-Swapped Dimers
J.Mol.Biol., 368, 2007
7ZPT
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BU of 7zpt by Molmil
Crystal structure of MreB from Geobacillus stearothermophilus ATCC7953
分子名称: Cell shape-determining protein MreB, PENTAETHYLENE GLYCOL
著者Li de la Sierra-Gallay, I, Mao, W.
登録日2022-04-28
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献On the role of nucleotides and lipids in the polymerization of the actin homolog MreB from a Gram-positive bacterium.
Elife, 12, 2023
7ZPU
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BU of 7zpu by Molmil
Crystal structure of MreB from Geobacillus stearothermophilus ATCC7953 in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cell shape-determining protein MreB
著者Li de la Sierra-Gallay, I, Mao, W.
登録日2022-04-28
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献On the role of nucleotides and lipids in the polymerization of the actin homolog MreB from a Gram-positive bacterium.
Elife, 12, 2023
2JH5
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BU of 2jh5 by Molmil
Human Thrombin Hirugen Inhibitor complex
分子名称: 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ...
著者Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S.
登録日2007-02-20
公開日2007-05-08
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design.
Bioorg.Med.Chem.Lett., 17, 2007
2JH0
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BU of 2jh0 by Molmil
Human Thrombin Hirugen Inhibitor complex
分子名称: (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ...
著者Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S.
登録日2007-02-19
公開日2007-05-08
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design.
Bioorg.Med.Chem.Lett., 17, 2007
3DAT
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BU of 3dat by Molmil
Crystal structure of the ternary MTX NADPH complex of Bacillus anthracis dihydrofolate reductase
分子名称: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bennett, B.C, Dealwis, C.G.
登録日2008-05-30
公開日2009-04-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray structure of the ternary MTX.NADPH complex of the anthrax dihydrofolate reductase: a pharmacophore for dual-site inhibitor design.
J.Struct.Biol., 166, 2009
2J5A
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BU of 2j5a by Molmil
Folding of S6 structures with divergent amino-acid composition: pathway flexibility within partly overlapping foldons
分子名称: 30S RIBOSOMAL PROTEIN S6, SODIUM ION
著者Hansson, S, Olofsson, L, Hedberg, L, Oliveberg, M, Logan, D.T.
登録日2006-09-13
公開日2006-10-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Folding of S6 Structures with Divergent Amino Acid Composition: Pathway Flexibility within Partly Overlapping Foldons.
J.Mol.Biol., 365, 2007
2IOF
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BU of 2iof by Molmil
Crystal structure of phosphonoacetaldehyde hydrolase with sodium borohydride-reduced substrate intermediate
分子名称: MAGNESIUM ION, PHOSPHATE ION, Phosphonoacetaldehyde hydrolase
著者Allen, K.A, Lahiri, S.D, Zhang, G, Dunaway-Mariano, D.
登録日2006-10-10
公開日2007-07-17
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Diversification of function in the haloacid dehalogenase enzyme superfamily: The role of the cap domain in hydrolytic phosphoruscarbon bond cleavage.
Bioorg.Chem., 34, 2006
2JG7
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BU of 2jg7 by Molmil
Crystal structure of Seabream Antiquitin and Elucidation of its substrate specificity
分子名称: ANTIQUITIN, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Tang, W.K, Wong, K.B, Cha, S.S, Lee, H.S, Cheng, C.H.K, Fong, W.P.
登録日2007-02-09
公開日2008-05-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献The Crystal Structure of Seabream Antiquitin Reveals the Structural Basis of its Substrate Specificity.
FEBS Lett., 582, 2008
2J6G
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BU of 2j6g by Molmil
FaeG from F4ac ETEC strain 5_95, produced in tobacco plant chloroplast
分子名称: ACETATE ION, FAEG
著者Van Molle, I, Joensuu, J.J, Buts, L, Panjikar, S, Kotiaho, M, Bouckaert, J, Wyns, L, Niklander-Teeri, V, De Greve, H.
登録日2006-09-28
公開日2007-04-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Chloroplasts Assemble the Major Subunit Faeg of Escherichia Coli F4 (K88) Fimbriae Into Strand-Swapped Dimers
J.Mol.Biol., 368, 2007
5GLC
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BU of 5glc by Molmil
Crystal structure of the class A beta-lactamase PenL-tTR11 containing 20 residues insertion in omega-loop
分子名称: Beta-lactamase
著者Choi, J.M, Yi, H, Kim, H.S, Lee, S.H.
登録日2016-07-10
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL
Sci Rep, 6, 2016
5GIT
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BU of 5git by Molmil
BTB domain of KEAP1 in complex with XX3
分子名称: Kelch-like ECH-associated protein 1, [(3aS,5R,5aS,6S,8S,8aS,9S,9aR)-9-acetyloxy-8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate
著者Zhu, L.L, Li, H.L, Wu, F.S, Xiong, R.
登録日2016-06-25
公開日2017-06-28
最終更新日2019-01-23
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Britanin Ameliorates Cerebral Ischemia-Reperfusion Injury by Inducing the Nrf2 Protective Pathway.
Antioxid. Redox Signal., 27, 2017
8AFG
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BU of 8afg by Molmil
K352D oxalyl-CoA synthetase Pcs60p
分子名称: Oxalate--CoA ligase, SULFATE ION
著者Burgi, J, Chojnowski, G, Wilmanns, M.
登録日2022-07-17
公開日2023-02-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Asymmetric horseshoe-like assembly of peroxisomal yeast oxalyl-CoA synthetase.
Biol.Chem., 404, 2023
5GLD
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BU of 5gld by Molmil
Crystal structure of the class A beta-lactamase PenL-tTR11 in complex with CBA
分子名称: Beta-lactamase, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
著者Choi, J.M, Yi, H, Kim, H.S, Lee, S.H.
登録日2016-07-10
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL
Sci Rep, 6, 2016
5GOT
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BU of 5got by Molmil
Crystal structure of SP-PTP, low molecular weight protein tyrosine phosphatase from Streptococcus pyogenes
分子名称: CHLORIDE ION, Low molecular weight phosphotyrosine phosphatase family protein
著者Ku, B, Keum, C.W, KIim, S.J.
登録日2016-07-29
公開日2016-09-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Crystal structure of SP-PTP, a low molecular weight protein tyrosine phosphatase from Streptococcus pyogenes
Biochem.Biophys.Res.Commun., 478, 2016
2IIT
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BU of 2iit by Molmil
Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor
分子名称: (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Biftu, T, Weber, A.E.
登録日2006-09-28
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
8AUZ
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BU of 8auz by Molmil
Crystal structure of GSK3 beta (GSK3b) in complex with FL291.
分子名称: 8-morpholin-4-yl-2-pyridin-3-yl-[1,3]oxazolo[5,4-f]quinoxaline, Glycogen synthase kinase-3 beta, SULFATE ION
著者Chaikuad, A, Mongin, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-08-26
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Oxazolo[5,4-f]quinoxaline-type selective inhibitors of glycogen synthase kinase-3 alpha (GSK-3 alpha ): Development and impact on temozolomide treatment of glioblastoma cells.
Bioorg.Chem., 134, 2023
8AV1
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BU of 8av1 by Molmil
Crystal structure of GSK3 beta (GSK3b) in complex with CD7.
分子名称: 1,2-ETHANEDIOL, 2-pyridin-3-yl-8-thiomorpholin-4-yl-[1,3]oxazolo[5,4-f]quinoxaline, Glycogen synthase kinase-3 beta, ...
著者Chaikuad, A, Mongin, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-08-26
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Oxazolo[5,4-f]quinoxaline-type selective inhibitors of glycogen synthase kinase-3 alpha (GSK-3 alpha ): Development and impact on temozolomide treatment of glioblastoma cells.
Bioorg.Chem., 134, 2023
8DT0
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BU of 8dt0 by Molmil
Scaffolding protein functional sites using deep learning
分子名称: Scaffolding protein functional sites
著者Bera, A.K, Watson, J, Baker, D.
登録日2022-07-24
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Scaffolding protein functional sites using deep learning.
Science, 377, 2022

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