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PDB: 51630 件

8FWX
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Apo crystal structure of beluga whale Gammacoronavirus SW1 Mpro
分子名称: DI(HYDROXYETHYL)ETHER, Main Protease, SULFATE ION
著者Ornelas, E, Knapp, M.S.
登録日2023-01-23
公開日2023-03-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
4N20
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BU of 4n20 by Molmil
Crystal structure of Protein Arginine Deiminase 2 (0 mM Ca2+)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
登録日2013-10-04
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.657 Å)
主引用文献Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
8FE9
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Crystal structure of Ack1 kinase K161Q mutant in complex with the selective inhibitor (R)-9b
分子名称: Activated CDC42 kinase 1, N-[(1S)-1-benzyl-2-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carbo
著者Paung, Y, Kan, Y, Seeliger, M.S, Miller, W.T.
登録日2022-12-06
公開日2023-03-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Biochemical Studies of Systemic Lupus Erythematosus-Associated Mutations in Nonreceptor Tyrosine Kinases Ack1 and Brk.
Biochemistry, 62, 2023
3QVR
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BU of 3qvr by Molmil
Crystal structure of glucose oxidase for space group P3121 at 1.3 A resolution.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Kommoju, P, Chen, Z, Bruckner, R.C, Mathews, F.S, Jorns, M.S.
登録日2011-02-25
公開日2011-06-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Probing oxygen activation sites in two flavoprotein oxidases using chloride as an oxygen surrogate.
Biochemistry, 50, 2011
4NBL
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BU of 4nbl by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
分子名称: 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, Caspase-6, PHOSPHATE ION
著者Murray, J.M, Steffek, M.
登録日2013-10-23
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.756 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4N6S
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BU of 4n6s by Molmil
Crystals of cross-linked stabilized and functional Phycobilisomes: only phycocyanin rods contribute to diffraction.
分子名称: C-phycocyanin alpha subunit, C-phycocyanin beta subunit, PHYCOCYANOBILIN
著者David, L, Prado, M, Arteni, A, Elmlund, D.A, Blankenship, R.E, Adir, N.
登録日2013-10-14
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies show energy transfer within stabilized phycobilisomes independent of the mode of rod-core assembly.
Biochim.Biophys.Acta, 1837, 2014
4N87
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BU of 4n87 by Molmil
Crystal structure of V30M mutant human transthyretin complexed with glabridin
分子名称: 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol, Transthyretin
著者Yokoyama, T, Kosaka, Y, Mizuguchi, M.
登録日2013-10-17
公開日2014-02-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.794 Å)
主引用文献Crystal structures of human transthyretin complexed with glabridin
J.Med.Chem., 57, 2014
3TJP
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Crystal Structure of PI3K gamma with N6-(3,4-dimethoxyphenyl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine
分子名称: N~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Knapp, M.S, Elling, R.A, Ornelas, E.
登録日2011-08-24
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Identification of 5-(2,4-dimorpholinopyrimidin-6-yl)-4-(trifluoromethyl)pyridin-2-amine (NVP-BKM120) as a Potent, Selective and Orally Bioavailable Class I PI3 Kinase Inhibitor for the Treatment of Cancer
To be Published
4MSF
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Crystal structure of the complex of goat lactoperoxidase with 3-hydroxymethyl phenol at 1.98 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(hydroxymethyl)phenol, ...
著者Singh, A, Singh, R.P, Sinha, M, Singh, A.K, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2013-09-18
公開日2013-10-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structure of the complex of goat lactoperoxidase with 3-hydroxymethyl phenol at 1.98 Angstrom resolution
To be published
3TNP
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Structure and Allostery of the PKA RIIb Tetrameric Holoenzyme
分子名称: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase type II-beta regulatory subunit
著者Zhang, P, Smith-Nguyen, E.V, Keshwani, M.M, Deal, M.S, Kornev, A.P, Taylor, S.S.
登録日2011-09-01
公開日2012-02-01
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and allostery of the PKA RIIbeta tetrameric holoenzyme
Science, 335, 2012
3TNU
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Heterocomplex of coil 2B domains of human intermediate filament proteins, keratin 5 (KRT5) and keratin 14 (KRT14)
分子名称: Keratin, type I cytoskeletal 14, type II cytoskeletal 5
著者Lee, C.H, Kim, M.S, Leahy, D.J, Coulombe, P.A.
登録日2011-09-02
公開日2012-06-20
最終更新日2012-08-01
実験手法X-RAY DIFFRACTION (3.005 Å)
主引用文献Structural basis for heteromeric assembly and perinuclear organization of keratin filaments.
Nat.Struct.Mol.Biol., 19, 2012
4MZV
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BU of 4mzv by Molmil
Crystal structure of extracellular part of human EpCAM
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, Epithelial cell adhesion molecule
著者Pavsic, M, Guncar, G, Djinovic-Carugo, K, Lenarcic, B.
登録日2013-09-30
公開日2014-08-27
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.865 Å)
主引用文献Crystal structure and its bearing towards an understanding of key biological functions of EpCAM.
Nat Commun, 5, 2014
4MUX
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BU of 4mux by Molmil
IspH in complex with pyridin-3-ylmethyl diphosphate
分子名称: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, pyridin-3-ylmethyl trihydrogen diphosphate
著者Span, I, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M.
登録日2013-09-23
公開日2014-06-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
J.Am.Chem.Soc., 136, 2014
4QLP
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BU of 4qlp by Molmil
Atomic structure of tuberculosis necrotizing toxin (TNT) complexed with its immunity factor IFT
分子名称: Alanine and proline rich protein, tuberculosis necrotizing toxin (TNT), immunity factor IFT
著者Cingolani, G, Lokareddy, R.K, Sun, J, Siroy, A, Speer, A, Doornbos, K.S, Niederweis, M.
登録日2014-06-12
公開日2015-07-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The tuberculosis necrotizing toxin kills macrophages by hydrolyzing NAD.
Nat.Struct.Mol.Biol., 22, 2015
2WPC
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Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073357)
分子名称: (4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Alphey, M.S, Patterson, S, Fairlamb, A.H.
登録日2009-08-05
公開日2010-10-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
1ALX
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BU of 1alx by Molmil
GRAMICIDIN D FROM BACILLUS BREVIS (METHANOL SOLVATE)
分子名称: GRAMICIDIN A, METHANOL
著者Burkhart, B.M, Langs, D.A, Smith, G.D, Courseille, C, Precigoux, G, Hospital, M, Pangborn, W.A, Duax, W.L.
登録日1997-06-05
公開日1998-03-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Heterodimer Formation and Crystal Nucleation of Gramicidin D
Biophys.J., 75, 1998
4Q28
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Crystal Structure of the Plectin 1 and 2 Repeats of the Human Periplakin. Northeast Structural Genomics Consortium (NESG) Target HR9083A
分子名称: Periplakin
著者Vorobiev, S, Lew, S, Seetharaman, J, Janjua, H, Xiao, R, O'Connell, P.T, Maglaqui, M, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2014-04-07
公開日2014-06-18
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Crystal Structure of the Plectin 1 and 2 Repeats of Human Periplakin.
To be Published
1L3N
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BU of 1l3n by Molmil
The Solution Structure of Reduced Dimeric Copper Zinc SOD: the Structural Effects of Dimerization
分子名称: COPPER (I) ION, ZINC ION, superoxide dismutase [Cu-Zn]
著者Banci, L, Bertini, I, Cramaro, F, Del Conte, R, Viezzoli, M.S.
登録日2002-02-28
公開日2002-05-08
最終更新日2021-10-27
実験手法SOLUTION NMR
主引用文献The solution structure of reduced dimeric copper zinc superoxide dismutase. The structural effects of dimerization
Eur.J.Biochem., 269, 2002
4PWE
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Crystal structure of V30M mutant human transthyretin
分子名称: Transthyretin
著者Yokoyama, T, Kosaka, Y, Mizuguchi, M.
登録日2014-03-20
公開日2014-11-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Inhibitory Activities of Propolis and Its Promising Component, Caffeic Acid Phenethyl Ester, against Amyloidogenesis of Human Transthyretin
J.Med.Chem., 57, 2014
4PWJ
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Crystal structure of V30M mutant human transthyretin complexed with nordihydroguaiaretic acid
分子名称: 4-[(2R,3S)-3-[(3,4-DIHYDROXYPHENYL)METHYL]-2-METHYLBUTYL]BENZENE-1,2-DIOL, Transthyretin
著者Yokoyama, T, Kosaka, Y, Mizuguchi, M.
登録日2014-03-20
公開日2014-11-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Inhibitory Activities of Propolis and Its Promising Component, Caffeic Acid Phenethyl Ester, against Amyloidogenesis of Human Transthyretin
J.Med.Chem., 57, 2014
4QOH
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Crystal structure of fad quinone reductase 2 in complex with resveratrol at 1.6A
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, RESVERATROL, ...
著者Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G.
登録日2014-06-20
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of fad quinone reductase 2 in complex with resveratrol at 1.6A
To be Published
4PW7
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structure of UHRF2-SRA in complex with a 5mC-containing DNA
分子名称: 5mC-containing DNA1, 5mC-containing DNA2, E3 ubiquitin-protein ligase UHRF2
著者ZHou, T, Xiong, J, Wang, M, Yang, N, Wong, J, Zhu, B, Xu, R.M.
登録日2014-03-19
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural Basis for Hydroxymethylcytosine Recognition by the SRA Domain of UHRF2.
Mol.Cell, 54, 2014
2WPE
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Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073359)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Alphey, M.S, Patterson, S, Fairlamb, A.H.
登録日2009-08-06
公開日2010-10-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
6O3A
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Crystal structure of Frizzled 7 CRD in complex with F7.B Fab
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ...
著者Raman, S, Beilschmidt, M, Fransson, J, Julien, J.P.
登録日2019-02-26
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-guided design fine-tunes pharmacokinetics, tolerability, and antitumor profile of multispecific frizzled antibodies.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
2WOV
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Trypanosoma brucei trypanothione reductase with bound NADP.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ...
著者Alphey, M.S, Fairlamb, A.H.
登録日2009-07-30
公開日2010-08-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011

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