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PDB: 1215 件

5EYY
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Tetragonal Form of Centrolobium tomentosum seed lectin (CTL) complexed with Man1-3Man-OMe.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Centrolobium tomentosum lectin, ...
著者Pinto-Junior, V.R, Osterne, V.J.S, Santiago, M.Q, Almeida, A.C, Lossio, C.F, Silva-Filho, J.C, Almeida, R.P.H, Teixeira, C.S, Delatorre, P, Rocha, B.A.M, Nascimento, K.S, Cavada, B.S.
登録日2015-11-25
公開日2016-03-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Structural analysis of Centrolobium tomentosum seed lectin with inflammatory activity.
Arch.Biochem.Biophys., 596, 2016
6CKW
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Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-((7-(((S)-2-amino-2-(2-methoxyphenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-3-(3-chlorophenyl)propanenitrile
分子名称: (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ...
著者Mamo, M, Appleton, B.A.
登録日2018-03-01
公開日2018-04-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
6CHO
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Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-2-((1-(3-(4-methoxyphenoxy)phenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
分子名称: 2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION, ...
著者Mamo, M, Appleton, B.A.
登録日2018-02-22
公開日2018-04-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
6CCO
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Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 3-((1S,2S)-2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)cyclopentyl)benzoic acid
分子名称: 3-[(1S,2S)-2-(7-hydroxy-1H-benzimidazol-2-yl)cyclopentyl]benzoic acid, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
3BDY
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Dual specific bH1 Fab in complex with VEGF
分子名称: Fab Fragment -Heavy Chain, Fab Fragment -Light Chain, GLYCEROL, ...
著者Bostrom, J.M, Wiesmann, C, Appleton, B.A.
登録日2007-11-15
公開日2008-11-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Variants of the antibody herceptin that interact with HER2 and VEGF at the antigen binding site
Science, 323, 2009
3RRD
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Native structure of Dioclea virgata lectin
分子名称: CALCIUM ION, Lectin alpha chain, MANGANESE (II) ION
著者Delatorre, P, Nobrega, R.B, Gadelha, C.A.A, Santi-Gadelha, T, Farias, D.L, Rocha, B.A.M, Cavada, B.S, Nagano, C.S, Bezerra, E.H.S, Bezerra, M.J, Alencar, K.L.
登録日2011-04-29
公開日2011-11-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structure of Dioclea virgata lectin: Relations between carbohydrate binding site and nitric oxide production.
Biochimie, 94, 2012
4YAE
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Crystal structure of LigL-apo form from Sphingobium sp. strain SYK-6
分子名称: C alpha-dehydrogenase
著者Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D.
登録日2015-02-17
公開日2016-03-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6.
J.Biol.Chem., 291, 2016
4YAI
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Crystal structure of LigL in complex with NADH and GGE from Sphingobium sp. strain SYK-6
分子名称: (1S,2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C alpha-dehydrogenase, ...
著者Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D.
登録日2015-02-17
公開日2016-03-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6.
J.Biol.Chem., 291, 2016
1GLO
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Crystal Structure of Cys25Ser mutant of human cathepsin S
分子名称: CATHEPSIN S
著者Turkenburg, J.P, Lamers, M.B.A.C, Brzozowski, A.M, Wright, L.M, Hubbard, R.E, Sturt, S.L, Williams, D.H.
登録日2001-08-31
公開日2002-08-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of a Cys25->Ser Mutant of Human Cathepsin Cathepsin S
Acta Crystallogr.,Sect.D, 58, 2002
4YAC
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Crystal structure of LigO in complex with NADH from Sphingobium sp. strain SYK-6
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C alpha-dehydrogenase
著者Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D.
登録日2015-02-17
公開日2016-03-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6.
J.Biol.Chem., 291, 2016
4YAG
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Crystal structure of LigL in complex with NADH from Sphingobium sp. strain SYK-6
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C alpha-dehydrogenase
著者Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D.
登録日2015-02-17
公開日2016-03-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6.
J.Biol.Chem., 291, 2016
4YAN
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Crystal structure of LigE in complex with glutathione (GSH) from Sphingobium sp. strain SYK-6
分子名称: Beta-etherase, GLUTATHIONE
著者Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D.
登録日2015-02-17
公開日2015-12-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.593 Å)
主引用文献Structural Basis of Stereospecificity in the Bacterial Enzymatic Cleavage of beta-Aryl Ether Bonds in Lignin.
J.Biol.Chem., 291, 2016
5D9K
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BU of 5d9k by Molmil
Rsk2 N-terminal Kinase in Complex with BI-D1870
分子名称: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, Ribosomal protein S6 kinase alpha-3
著者Appleton, B.A.
登録日2015-08-18
公開日2015-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of Potent and Selective RSK Inhibitors as Biological Probes.
J.Med.Chem., 58, 2015
5DG5
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BU of 5dg5 by Molmil
CRYSTAL STRUCTURE OF THE TYROSINE KINASE DOMAIN OF THE HEPATOCYTE GROWTH FACTOR RECEPTOR C-MET IN COMPLEX WITH ALTIRATINIB ANALOG DP-4157
分子名称: Hepatocyte growth factor receptor, N-(2,5-difluoro-4-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxam ide
著者Smith, B.D, Kaufman, M.D, Leary, C.B, Turner, B.A, Wise, S.A, Ahn, Y.M, Booth, R.J, Caldwell, T.M, Ensinger, C.L, Hood, M.M, Lu, W.-P, Patt, T.W, Patt, W.C, Rutkoski, T.J, Samarakoon, T, Telikepalli, H, Vogeti, L, Vogeti, S, Yates, K.M, Chun, L, Stewart, L.J, Clare, M, Flynn, D.L.
登録日2015-08-27
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Altiratinib Inhibits Tumor Growth, Invasion, Angiogenesis, and Microenvironment-Mediated Drug Resistance via Balanced Inhibition of MET, TIE2, and VEGFR2.
Mol.Cancer Ther., 14, 2015
3B9V
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Crystal Structure of an Autonomous VH Domain
分子名称: heavy chain variable domain
著者Appleton, B.A, Barthelemy, P.A, Wiesmann, C.
登録日2007-11-06
公開日2007-11-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comprehensive Analysis of the Factors Contributing to the Stability and Solubility of Autonomous Human VH Domains.
J.Biol.Chem., 283, 2008
3QTI
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c-Met Kinase in Complex with NVP-BVU972
分子名称: 6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline, CHLORIDE ION, GLYCEROL, ...
著者Appleton, B.A.
登録日2011-02-22
公開日2011-07-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Drug Resistance Screen Using a Selective MET Inhibitor Reveals a Spectrum of Mutations That Partially Overlap with Activating Mutations Found in Cancer Patients.
Cancer Res., 71, 2011
3EA2
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Crystal Structure of the Myo-inositol bound Y247S/Y251S Mutant of Phosphatidylinositol-Specific Phospholipase C from Bacillus Thuringiensis
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, ZINC ION
著者Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F.
登録日2008-08-24
公開日2009-04-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Modulation of bacillus thuringiensis phosphatidylinositol-specific phospholipase C activity by mutations in the putative dimerization interface.
J.Biol.Chem., 284, 2009
3O2P
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A Dual E3 Mechanism for Rub1 Ligation to Cdc53: Dcn1(P)-Cdc53(WHB)
分子名称: Cell division control protein 53, Defective in cullin neddylation protein 1, GLYCEROL
著者Scott, D.C, Monda, J.K, Grace, C.R.R, Duda, D.M, Kriwacki, R.W, Kurz, T, Schulman, B.A.
登録日2010-07-22
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.233 Å)
主引用文献A dual E3 mechanism for Rub1 ligation to Cdc53.
Mol.Cell, 39, 2010
5EYX
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Monoclinic Form of Centrolobium tomentosum seed lectin (CTL) complexed with Man1-3Man-OMe.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Centrolobium tomentosum lectin, ...
著者Almeida, A.C, Osterne, V.J.S, Santiago, M.Q, Pinto-Junior, V.R, Silva-Filho, J.C, Lossio, C.F, Almeida, R.P.H, Teixeira, C.S, Delatorre, P, Rocha, B.A.M, Santiago, K.S, Cavada, B.S.
登録日2015-11-25
公開日2016-03-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural analysis of Centrolobium tomentosum seed lectin with inflammatory activity.
Arch.Biochem.Biophys., 596, 2016
4Y9D
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Crystal structure of LigD in complex with NADH from Sphingobium sp. strain SYK-6
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C alpha-dehydrogenase
著者Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D.
登録日2015-02-17
公開日2016-03-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.012 Å)
主引用文献Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6.
J.Biol.Chem., 291, 2016
6E93
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Crystal Structure of ZBTB38 C-terminal Zinc Fingers 6-9 in complex with methylated DNA
分子名称: DNA (5'-D(*GP*CP*AP*CP*TP*CP*AP*TP*(DCM)P*GP*GP*(DCM)P*GP*CP*AP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*(DCM)P*GP*CP*(DCM)P*GP*AP*TP*GP*AP*GP*TP*GP*C)-3'), ZINC ION, ...
著者Hudson, N.O, Whitby, F.G, Buck-Koehntop, B.A.
登録日2018-07-31
公開日2018-11-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.747 Å)
主引用文献Structural insights into methylated DNA recognition by the C-terminal zinc fingers of the DNA reader protein ZBTB38.
J. Biol. Chem., 293, 2018
4YAM
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Crystal structure of LigE-apo form from Sphingobium sp. strain SYK-6
分子名称: Beta-etherase
著者Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D.
登録日2015-02-17
公開日2015-12-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Structural Basis of Stereospecificity in the Bacterial Enzymatic Cleavage of beta-Aryl Ether Bonds in Lignin.
J.Biol.Chem., 291, 2016
5FDL
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Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899
分子名称: P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate
著者Dousson, C.B, Alexandre, F.-R, Convard, T, Fisher, M, Lamers, M.B.A.C, Leonard, P.M.
登録日2015-12-16
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor.
J.Med.Chem., 59, 2016
5FFR
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Crystal Structure of Surfactant Protein-A complexed with phosphocholine
分子名称: CALCIUM ION, PHOSPHOCHOLINE, Pulmonary surfactant-associated protein A, ...
著者Goh, B.C, Wu, H, Rynkiewicz, M.J, Schulten, K, Seaton, B.A, McCormack, F.X.
登録日2015-12-18
公開日2016-07-06
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Elucidation of Lipid Binding Sites on Lung Surfactant Protein A Using X-ray Crystallography, Mutagenesis, and Molecular Dynamics Simulations.
Biochemistry, 55, 2016
5FFT
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Crystal Structure of Surfactant Protein-A Y221A Mutant
分子名称: CALCIUM ION, Pulmonary surfactant-associated protein A
著者Goh, B.C, Wu, H, Rynkiewicz, M.J, Schulten, K, Seaton, B.A, McCormack, F.X.
登録日2015-12-18
公開日2016-07-06
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Elucidation of Lipid Binding Sites on Lung Surfactant Protein A Using X-ray Crystallography, Mutagenesis, and Molecular Dynamics Simulations.
Biochemistry, 55, 2016

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