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4IC9
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BU of 4ic9 by Molmil
Crystal structure of the full-length matrix subunit (p15) of the Feline Immunodeficiency Virus (FIV) Gag polyprotein
分子名称: 1,2-ETHANEDIOL, Matrix protein p15
著者Serriere, J, Robert, X, Perez, M, Gouet, P, Guillon, C.
登録日2012-12-10
公開日2013-07-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biophysical characterization and crystal structure of the Feline Immunodeficiency Virus p15 matrix protein.
Retrovirology, 10, 2013
4ICA
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BU of 4ica by Molmil
Crystal structure of a C-terminal truncated form of the matrix subunit (p15) of Feline Immunodeficiency Virus (FIV)
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Matrix protein p15
著者Serriere, J, Robert, X, Perez, M, Gouet, P, Guillon, C.
登録日2012-12-10
公開日2013-07-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Biophysical characterization and crystal structure of the Feline Immunodeficiency Virus p15 matrix protein.
Retrovirology, 10, 2013
3PQY
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BU of 3pqy by Molmil
Crystal Structure of 6218 TCR in complex with the H2Db-PA224
分子名称: 10-mer peptide from RNA-directed RNA polymerase, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
著者Gras, S, Guillonneau, C, Turner, S.J, Rossjohn, J.
登録日2010-11-28
公開日2011-05-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.192 Å)
主引用文献Structural basis for enabling T-cell receptor diversity within biased virus-specific CD8+ T-cell responses
Proc.Natl.Acad.Sci.USA, 108, 2011
5G2E
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BU of 5g2e by Molmil
Structure of the Nap1 H2A H2B complex
分子名称: HISTONE H2A TYPE 1, HISTONE H2B 1.1, NUCLEOSOME ASSEMBLY PROTEIN
著者AguilarGurrieri, C, Larabi, A, Vinayachandran, V, Patel, N.A, Yen, K, Reja, R, Ebong, I.O, Schoehn, G, Robinson, C.V, Pugh, B.F, Panne, D.
登録日2016-04-07
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (6.7 Å)
主引用文献Structural Evidence for Nap1-Dependent H2A-H2B Deposition and Nucleosome Assembly.
Embo J., 35, 2016
4K7I
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BU of 4k7i by Molmil
HUMAN PEROXIREDOXIN 5 with a fragment
分子名称: CATECHOL, DIMETHYL SULFOXIDE, Peroxiredoxin-5, ...
著者Guichou, J.F.
登録日2013-04-17
公開日2014-04-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5
Plos One, 9, 2014
4MMM
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BU of 4mmm by Molmil
Human Pdrx5 complex with a ligand BP7
分子名称: 1,1'-BIPHENYL-3,4-DIOL, Peroxiredoxin-5, mitochondrial
著者Guichou, J.F.
登録日2013-09-09
公開日2014-07-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5
Plos One, 9, 2014
4K7N
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BU of 4k7n by Molmil
HUMAN PEROXIREDOXIN 5 with a fragment
分子名称: 4-METHYLCATECHOL, Peroxiredoxin-5, mitochondrial
著者Guichou, J.F.
登録日2013-04-17
公開日2014-04-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5
Plos One, 9, 2014
4K7O
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BU of 4k7o by Molmil
HUMAN PEROXIREDOXIN 5 with a fragment
分子名称: 4-tert-butylbenzene-1,2-diol, DIMETHYL SULFOXIDE, Peroxiredoxin-5, ...
著者Guichou, J.F.
登録日2013-04-17
公開日2014-04-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5
Plos One, 9, 2014
2G50
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BU of 2g50 by Molmil
The location of the allosteric amino acid binding site of muscle pyruvate kinase.
分子名称: 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ALANINE, ...
著者Holyoak, T, Williams, R, Fenton, A.W.
登録日2006-02-22
公開日2006-05-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Differentiating a Ligand's Chemical Requirements for Allosteric Interactions from Those for Protein Binding. Phenylalanine Inhibition of Pyruvate Kinase.
Biochemistry, 45, 2006
6CLW
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BU of 6clw by Molmil
Crystal structure of TnmH
分子名称: O-methyltransferase
著者Chang, C.Y, Annaval, T, Adhikari, A, Yan, X, Shen, B.
登録日2018-03-02
公開日2019-03-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Characterization of TnmH as anO-Methyltransferase Revealing Insights into Tiancimycin Biosynthesis and Enabling a Biocatalytic Strategy To Prepare Antibody-Tiancimycin Conjugates.
J.Med.Chem., 63, 2020
6CLX
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Crystal structure of TnmH in complex with SAM
分子名称: O-methyltransferase, S-ADENOSYLMETHIONINE
著者Chang, C.Y, Annaval, T, Adhikari, A, Yan, X, Shen, B.
登録日2018-03-02
公開日2019-03-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Characterization of TnmH as anO-Methyltransferase Revealing Insights into Tiancimycin Biosynthesis and Enabling a Biocatalytic Strategy To Prepare Antibody-Tiancimycin Conjugates.
J.Med.Chem., 63, 2020
1W75
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BU of 1w75 by Molmil
Native Orthorhombic form of Torpedo californica acetylcholinesterase (AChE)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE
著者Greenblatt, H.M, Botti, S, Argaman, A, Silman, I, Sussman, J.L.
登録日2004-08-29
公開日2004-11-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design.
J.Am.Chem.Soc., 126, 2004
6QYF
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BU of 6qyf by Molmil
4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 4.6 with Mg2+ and CoA.
分子名称: COENZYME A, MAGNESIUM ION, Possible 4'-phosphopantetheinyl transferase
著者Nguyen, M.C, Mourey, L, Pedelacq, J.D.
登録日2019-03-08
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
6QYG
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BU of 6qyg by Molmil
4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 8.5 with Mg2+ and CoA.
分子名称: COENZYME A, MAGNESIUM ION, Possible 4'-phosphopantetheinyl transferase
著者Nguyen, M.C, Mourey, L, Pedelacq, J.D.
登録日2019-03-08
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
8GC8
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BU of 8gc8 by Molmil
Bruton's tyrosine kinase L528W mutant in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, Tyrosine-protein kinase BTK
著者Gajewski, S.
登録日2023-03-01
公開日2024-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
8GC7
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BU of 8gc7 by Molmil
Bruton's tyrosine kinase in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, CHLORIDE ION, ...
著者Gajewski, S.
登録日2023-03-01
公開日2024-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
2MP9
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Solution structure of an potent antifungal peptide Cm-p5 derived from C. muricatus
分子名称: Antifungal peptide
著者Sun, Z.J, Heffron, G, Mcbeth, C, Wagner, G, Otero-Gonzales, A.J, Starnbach, M.N.
登録日2014-05-14
公開日2015-08-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Cm-p5: an antifungal hydrophilic peptide derived from the coastal mollusk Cenchritis muricatus (Gastropoda: Littorinidae).
Faseb J., 29, 2015
3I6M
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BU of 3i6m by Molmil
3D Structure of Torpedo californica acetylcholinesterase complexed with N-piperidinopropyl-galanthamine
分子名称: (4aS,6R,8aS)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 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Lamba, D, Bartolucci, C.
登録日2009-07-07
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives.
J.Med.Chem., 53, 2010
3I6Z
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3D Structure of Torpedo californica acetylcholinesterase complexed with N-saccharinohexyl-galanthamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1 ,2-benzisothiazol-3(2H)-one 1,1-dioxide, ...
著者Lamba, D, Bartolucci, C.
登録日2009-07-07
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives.
J.Med.Chem., 53, 2010
1C9Z
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D232-CGTACG
分子名称: 1,3-DI[[[10-METHOXY-7H-PYRIDO[4,3-C]CARBAZOL-2-IUMYL]-ETHYL]-PIPERIDIN-4-YL]-PROPANE, 5'-D(*CP*GP*TP*AP*CP*G)-3'
著者Williams, L.D.
登録日1999-08-03
公開日2000-04-02
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Effects of cationic charge on three-dimensional structures of intercalative complexes: structure of a bis-intercalated DNA complex solved by MAD phasing.
Curr.Med.Chem., 7, 2000
1QTI
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BU of 1qti by Molmil
Acetylcholinesterase (E.C.3.1.1.7)
分子名称: (-)-GALANTHAMINE, ACETYLCHOLINESTERASE
著者Bartolucci, C, Perola, E, Pilger, C, Fels, G, Lamba, D.
登録日1999-06-28
公開日1999-12-29
最終更新日2021-06-02
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Three-dimensional structure of a complex of galanthamine (Nivalin) with acetylcholinesterase from Torpedo californica: implications for the design of new anti-Alzheimer drugs
Proteins, 42, 2001
8QZH
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BU of 8qzh by Molmil
Crystal structure of apo-PptT from Mycobacterium tuberculosis
分子名称: 4'-phosphopantetheinyl transferase PptT, ACETATE ION, MAGNESIUM ION
著者Gavalda, S, Carivenc, C, Mourey, L, Pedelacq, J.D.
登録日2023-10-27
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Catalytic Cycle of Type II 4'-Phosphopantetheinyl Transferases
Acs Catalysis, 14, 2024
8QZJ
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Crystal structure of PptT-ADP from Mycobacterium tuberculosis
分子名称: 4'-phosphopantetheinyl transferase PptT, ADENOSINE-3'-5'-DIPHOSPHATE, MANGANESE (II) ION
著者Gavalda, S, Mourey, L, Pedelacq, J.D.
登録日2023-10-27
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Catalytic Cycle of Type II 4'-Phosphopantetheinyl Transferases
Acs Catalysis, 14, 2024
8QZI
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Crystal structure of PptT-ACP from Mycobacterium tuberculosis
分子名称: 4'-phosphopantetheinyl transferase PptT, COENZYME A, ISOPROPYL ALCOHOL, ...
著者Gavalda, S, Mourey, L, Pedelacq, J.D.
登録日2023-10-27
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Catalytic Cycle of Type II 4'-Phosphopantetheinyl Transferases
Acs Catalysis, 14, 2024
1BAB
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BU of 1bab by Molmil
HEMOGLOBIN THIONVILLE: AN ALPHA-CHAIN VARIANT WITH A SUBSTITUTION OF A GLUTAMATE FOR VALINE AT NA-1 AND HAVING AN ACETYLATED METHIONINE NH2 TERMINUS
分子名称: HEMOGLOBIN THIONVILLE (DEOXY) (ALPHA CHAIN), HEMOGLOBIN THIONVILLE (DEOXY) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE, ...
著者Kavanaugh, J.S, Arnone, A.
登録日1992-05-06
公開日1994-01-31
最終更新日2023-03-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Hemoglobin Thionville. An alpha-chain variant with a substitution of a glutamate for valine at NA-1 and having an acetylated methionine NH2 terminus.
J.Biol.Chem., 267, 1992

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