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PDB: 96845 件
4UVS
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BU of 4uvs by Molmil
Crystal structure of human tankyrase 2 in complex with 5-amino-3- pentyl-1,2-dihydroisoquinolin-1-one
分子名称: 5-amino-3-pentylisoquinolin-1(2H)-one, SULFATE ION, TANKYRASE-2, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2014-08-08
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
3JSD
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BU of 3jsd by Molmil
Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Weiss, M.A, Wan, Z.L, Dodson, E.J, Liu, M, Xu, B, Hua, Q.X, Turkenburg, M, Whittingham, J, Nakagawa, S.H, Huang, K, Hu, S.Q, Jia, W.H, Wang, S.H, Brange, J, Whittaker, J, Arvan, P, Katsoyannis, P.G, Dodson, G.G.
登録日2009-09-10
公開日2010-09-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus
To be Published
3KA0
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BU of 3ka0 by Molmil
MK2 complex with inhibitor 6-(5-(2-aminopyrimidin-4-ylamino)-2-hydroxyphenyl)-N-methylbenzo[b]thiophene-2-carboxamide
分子名称: 6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-N-methylidene-1-benzothiophene-2-carboxamide, MAP kinase-activated protein kinase 2
著者Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
登録日2009-10-16
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
5IXT
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BU of 5ixt by Molmil
The crystal structure of the Arabidopsis receptor kinase HAESA LRR ectdomain in complex with a N-terminal extended IDA peptide hormone ligand.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Santiago, J, Hothorn, M.
登録日2016-03-23
公開日2016-04-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mechanistic insight into a peptide hormone signaling complex mediating floral organ abscission.
Elife, 5, 2016
4V9G
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BU of 4v9g by Molmil
RC-LH1-PufX dimer complex from Rhodobacter sphaeroides
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ...
著者Qian, P, Papiz, M.Z, Jackson, P.J, Brindley, A.A, Ng, I.W, Olsen, J.D, Dickman, M.J, Bullough, P.A, Hunter, C.N.
登録日2013-02-21
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (7.78 Å)
主引用文献Three-Dimensional Structure of the Rhodobacter sphaeroides RC-LH1-PufX Complex: Dimerization and Quinone Channels Promoted by PufX.
Biochemistry, 52, 2013
4W4O
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BU of 4w4o by Molmil
High-resolution crystal structure of Fc bound to its human receptor Fc-gamma-RI
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
著者Caaveiro, J.M.M, Kiyoshi, M, Tsumoto, K.
登録日2014-08-15
公開日2015-04-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for binding of human IgG1 to its high-affinity human receptor Fc gamma RI
Nat Commun, 6, 2015
5IW9
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BU of 5iw9 by Molmil
Structure of bacteriophage T4 gp25, sheath polymerization initiator
分子名称: Baseplate wedge protein gp25
著者Leiman, P.G, Browning, C, Shneider, M.M.
登録日2016-03-22
公開日2016-05-11
最終更新日2016-06-08
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structure of the T4 baseplate and its function in triggering sheath contraction.
Nature, 533, 2016
5IXH
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BU of 5ixh by Molmil
Crystal Structure of Burkholderia cenocepacia BcnA
分子名称: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, ...
著者Loutet, S.A, Murphy, M.E.P.
登録日2016-03-23
公開日2017-03-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Antibiotic Capture by Bacterial Lipocalins Uncovers an Extracellular Mechanism of Intrinsic Antibiotic Resistance.
MBio, 8, 2017
5IXL
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BU of 5ixl by Molmil
Structure of P. vulgaris HigB toxin Y91A variant
分子名称: CHLORIDE ION, Endoribonuclease HigB
著者Schureck, M.A, Repack, A.A, Miles, S.J, Marquez, J, Dunham, C.M.
登録日2016-03-23
公開日2016-07-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mechanism of endonuclease cleavage by the HigB toxin.
Nucleic Acids Res., 44, 2016
5J2V
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BU of 5j2v by Molmil
Crystal Structure of Hsp90-alpha Apo N-domain
分子名称: Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-03-30
公開日2017-10-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J64
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BU of 5j64 by Molmil
Crystal Structure of Hsp90-alpha N-domain in complex with 5-(2,4-Dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one
分子名称: 5-(2,4-dihydroxyphenyl)-4-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-04-04
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J20
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BU of 5j20 by Molmil
HSP90 in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-N-furan-2-ylmethyl-2,4-dihydroxy-N-methyl-benzamide
分子名称: 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(furan-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide, Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-03-29
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J7K
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BU of 5j7k by Molmil
Loop grafting onto a highly stable FN3 scaffold
分子名称: FN3con-a-lys, ZINC ION
著者Porebski, B.T, Drinkwater, N, McGowan, S, Buckle, A.M.
登録日2016-04-06
公開日2016-08-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Circumventing the stability-function trade-off in an engineered FN3 domain.
Protein Eng.Des.Sel., 2016
5J6L
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BU of 5j6l by Molmil
Crystal Structure of Hsp90-alpha N-domain in complex with N-Butyl-5-[4-(2-fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-benzamide
分子名称: Heat shock protein HSP 90-alpha, N-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
著者Amaral, M, Matias, P.
登録日2016-04-05
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5JB6
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BU of 5jb6 by Molmil
A simplified BPTI variant containing 23 alanines out of 58 residues
分子名称: Pancreatic trypsin inhibitor, SULFATE ION
著者Islam, M.M.
登録日2016-04-13
公開日2017-04-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of highly simplified BPTIs provide insights into hydration-driven increase of unfolding enthalpy
Sci Rep, 7, 2017
6ZH7
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BU of 6zh7 by Molmil
Crystal structure of fatty acid photodecarboxylase in the dark state determined by serial femtosecond crystallography at room temperature
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ...
著者Hadjidemetriou, K, Coquelle, N, Weik, M, Schlichting, I, Barends, T.R.M, Colletier, J.P.
登録日2020-06-21
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
5J86
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BU of 5j86 by Molmil
Crystal Structure of Hsp90-alpha N-domain in complex with 2,4-Dihydroxy-N-methyl-5-(5-oxo-4-o-tolyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)-N-thiophen-2-ylmethyl-benzamide
分子名称: 2,4-dihydroxy-N-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(thiophen-2-yl)methyl]benzamide, Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-04-07
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5JKQ
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BU of 5jkq by Molmil
Crystal structure of Plasmodium falciparum Pf3D7_0606800 (PfVFT1)
分子名称: PfVFT1, SULFATE ION
著者Parker, M.L, Boulanger, M.J.
登録日2016-04-26
公開日2017-07-19
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The structure of Plasmodium falciparum 3D7_0606800 reveals a bi-lobed architecture that supports re-annotation as a Venus Flytrap protein.
Protein Sci., 26, 2017
3KKQ
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BU of 3kkq by Molmil
Crystal structure of M-Ras P40D in complex with GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein M-Ras
著者Muraoka, S, Shima, F, Liao, J, Ijiri, Y, Matsumoto, K, Ye, M, Inoue, T, Kataoka, T.
登録日2009-11-06
公開日2010-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural basis for conformational dynamics of GTP-bound Ras protein
J.Biol.Chem., 285, 2010
5IXS
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BU of 5ixs by Molmil
Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 9: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one
分子名称: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Ultsch, M, Eigenbrot, C.
登録日2016-03-23
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.
Acs Med.Chem.Lett., 7, 2016
5IYV
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BU of 5iyv by Molmil
Crystal structure of the Arabidopsis receptor kinase HAESA LRR ectdomain in complex with the peptide hormone IDL1.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Santiago, J, Hothorn, M.
登録日2016-03-24
公開日2016-04-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Mechanistic insight into a peptide hormone signaling complex mediating floral organ abscission.
Elife, 5, 2016
4UTO
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BU of 4uto by Molmil
Crystal structure of pneumococcal surface antigen PsaA D280N in the Cd-bound, open state
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN
著者Luo, Z, Counago, R.M, Maher, M, Kobe, B.
登録日2014-07-22
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae.
Nat Commun, 6, 2015
5J2X
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BU of 5j2x by Molmil
Crystal Structure of Hsp90-alpha N-domain in complex with 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one
分子名称: 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one, Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-03-30
公開日2017-12-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5JB4
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BU of 5jb4 by Molmil
A simplified BPTI variant containing 21 alanines out 58 of residues
分子名称: Pancreatic trypsin inhibitor, SULFATE ION
著者Islam, M.M.
登録日2016-04-13
公開日2017-04-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal structures of highly simplified BPTIs provide insights into hydration-driven increase of unfolding enthalpy
Sci Rep, 7, 2017
4V4R
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BU of 4v4r by Molmil
Crystal structure of the whole ribosomal complex.
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Petry, S, Brodersen, D.E, Murphy IV, F.V, Dunham, C.M, Selmer, M, Tarry, M.J, Kelley, A.C, Ramakrishnan, V.
登録日2005-09-30
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (5.9 Å)
主引用文献Crystal Structures of the Ribosome in Complex with Release Factors RF1 and RF2 Bound to a Cognate Stop Codon.
Cell(Cambridge,Mass.), 123, 2005

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