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5DUC
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BU of 5duc by Molmil
Crystal structure of M. tuberculosis EchA6 bound to ligand GSK951A
分子名称: (5R,7S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6
著者Cox, J.A.G, Besra, G.S, Futterer, K.
登録日2015-09-18
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
1VIN
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BU of 1vin by Molmil
BOVINE CYCLIN A3
分子名称: CYCLIN A
著者Noble, M.E.M, Endicott, J.A.E, Brown, N.R.
登録日1996-03-15
公開日1996-08-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of cyclin A.
Structure, 3, 1995
2V07
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BU of 2v07 by Molmil
Structure of the Arabidopsis thaliana cytochrome c6A V52Q variant
分子名称: CYTOCHROME C6, HEME C
著者Worrall, J.A.R, Schlarb-Ridley, B.G, Reda, T, Marcaida, M.J, Moorlen, R.J, Wastl, J, Hirst, J, Bendall, D.S, Luisi, B.F, Howe, C.J.
登録日2007-05-09
公開日2007-07-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Modulation of heme redox potential in the cytochrome c6 family.
J. Am. Chem. Soc., 129, 2007
2V08
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BU of 2v08 by Molmil
Structure of wild-type Phormidium laminosum cytochrome c6
分子名称: CHLORIDE ION, CYTOCHROME C6, HEME C, ...
著者Worrall, J.A.R, Schlarb-Ridley, B.G, Reda, T, Marcaida, M.J, Moorlen, R.J, Wastl, J, Hirst, J, Bendall, D.S, Luisi, B.F, Howe, C.J.
登録日2007-05-10
公開日2007-07-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Modulation of heme redox potential in the cytochrome c6 family.
J. Am. Chem. Soc., 129, 2007
8QIC
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BU of 8qic by Molmil
Structure-based identification of salicylic acid derivatives as malarial threonyl tRNA-synthetase inhibitors
分子名称: 2-oxidanyl-5-[[4-(phenylmethyl)phenyl]sulfamoyl]benzoic acid, GLYCEROL, Threonine--tRNA ligase, ...
著者Rodriguez, J.A, Parisini, E.
登録日2023-09-13
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based identification of salicylic acid derivatives as malarial threonyl tRNA-synthetase inhibitors.
Plos One, 19, 2024
8OU8
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BU of 8ou8 by Molmil
Crystal structure of E. coli threonyl tRNA synthetase in complex with a TM84 analogue
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Threonine--tRNA ligase, ...
著者Rodriguez Buitrago, J.A, Parisini, E, Aigars, J.
登録日2023-04-22
公開日2023-07-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Synthesis and evaluation of an agrocin 84 toxic moiety (TM84) analogue as a malarial threonyl tRNA synthetase inhibitor.
Org.Biomol.Chem., 21, 2023
2IXV
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BU of 2ixv by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (E94Q mutant)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALANINE, D-GLUTAMINE, ...
著者Perez-Dorado, I, Hermoso, J.A.
登録日2006-07-11
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
1TW6
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BU of 1tw6 by Molmil
Structure of an ML-IAP/XIAP chimera bound to a 9mer peptide derived from Smac
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ...
著者Franklin, M.C, Vucic, D, Wallweber, H.J.A, Das, K, Shin, H, Elliott, L.O, Kadkhodayan, S, Deshayes, K, Salvesen, G.S, Fairbrother, W.J.
登録日2004-06-30
公開日2004-11-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.713 Å)
主引用文献Engineering ML-IAP to produce an extraordinarily potent caspase 9 inhibitor: implications for Smac-dependent anti-apoptotic activity of ML-IAP
Biochem.J., 385, 2005
2J8F
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BU of 2j8f by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (E94Q mutant in complex with a disaccharide- pentapeptide)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, ALANINE, D-GLUTAMIC ACID, ...
著者Perez-Dorado, I, Hermoso, J.A.
登録日2006-10-25
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
2IXU
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BU of 2ixu by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (wild-type endolysin)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALANINE, D-alpha-glutamine, ...
著者Perez-Dorado, I, Hermoso, J.A.
登録日2006-07-11
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
2J8G
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BU of 2j8g by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (E94Q mutant in complex with a tetrasaccharide- pentapeptide)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALANINE, D-GLUTAMIC ACID, ...
著者Perez-Dorado, I, Hermoso, J.A.
登録日2006-10-25
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
1Z4U
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BU of 1z4u by Molmil
hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00799585
分子名称: (2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]-3-[4-(2-BROMOPHENOXY)PHENYL]PROP-2-ENOIC ACID, CHLORIDE ION, GLYCEROL, ...
著者Pfefferkorn, J.A, Greene, M, Nugent, R, Gross, R.J, Mitchell, M.A, Finzel, B.C, Harris, M.S, Wells, P.A, Shelly, J.A, Anstadt, R.
登録日2005-03-16
公開日2005-06-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Inhibitors of HCV NS5B polymerase. Part 2: Evaluation of the northern region of (2Z)-2-benzoylamino-3-(4-phenoxy-phenyl)-acrylic acid
Bioorg.Med.Chem.Lett., 15, 2005
1YVF
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BU of 1yvf by Molmil
Hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00729145
分子名称: (2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC ACID, CHLORIDE ION, GLYCEROL, ...
著者Pfefferkorn, J.A, Greene, M.L, Nugent, R.A, Gross, R.J, Mitchell, M.A, Finzel, B.C, Harris, M.S, Wells, P.A, Shelly, J.A, Anstadt, R.A, Kilkuskie, R.E, Kopta, L.A, Schwende, F.J.
登録日2005-02-15
公開日2005-04-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Inhibitors of HCV NS5B polymerase. Part 1: Evaluation of the southern region of (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid.
Bioorg.Med.Chem.Lett., 15, 2005
8V8L
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BU of 8v8l by Molmil
Switchgrass Chalcone Isomerase
分子名称: Chalcone-flavonone isomerase family protein, GLYCEROL
著者Lewis, J.A, Kang, C.
登録日2023-12-05
公開日2024-05-29
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein.
Int J Mol Sci, 25, 2024
8V8P
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BU of 8v8p by Molmil
Sorghum Chalcone Isomerase
分子名称: 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Chalcone-flavonone isomerase family protein
著者Lewis, J.A, Kang, C.
登録日2023-12-05
公開日2024-05-29
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein.
Int J Mol Sci, 25, 2024
8V8M
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BU of 8v8m by Molmil
Switchgrass Chalcone Synthase
分子名称: COENZYME A, Chalcone synthase, NARINGENIN
著者Lewis, J.A, Kang, C.
登録日2023-12-05
公開日2024-05-29
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein.
Int J Mol Sci, 25, 2024
8V8N
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BU of 8v8n by Molmil
Switchgrass Chalcone Synthase C170S
分子名称: Chalcone synthase, GLYCEROL
著者Lewis, J.A, Kang, C.
登録日2023-12-05
公開日2024-05-29
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein.
Int J Mol Sci, 25, 2024
8V8O
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BU of 8v8o by Molmil
Switchgrass Chalcone Isomerase-Like Protein
分子名称: Chalcone-flavonone isomerase family protein
著者Lewis, J.A, Kang, C.
登録日2023-12-05
公開日2024-05-29
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein.
Int J Mol Sci, 25, 2024
2ACL
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BU of 2acl by Molmil
Liver X-Receptor alpha Ligand Binding Domain with SB313987
分子名称: 1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE, Oxysterols receptor LXR-alpha, RETINOIC ACID, ...
著者Jaye, M.C, Krawiec, J.A, Campobasso, N, Smallwood, A, Qiu, C, Lu, Q, Kerrigan, J.J.
登録日2005-07-19
公開日2005-09-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of substituted maleimides as liver x receptor agonists and determination of a ligand-bound crystal structure.
J.Med.Chem., 48, 2005
8SF8
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BU of 8sf8 by Molmil
Structure of bovine PKA bound to (R)-N-(4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl)-2-amino-4-methylpentanamide
分子名称: N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Coker, J.A, Arya, T, Goins, C.M, Maw, J.J, Macdonald, J.D, Stauffer, S.R.
登録日2023-04-10
公開日2024-02-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and Characterization of Selective, First-in-Class Inhibitors of Citron Kinase.
J.Med.Chem., 67, 2024
6QDB
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BU of 6qdb by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000081
分子名称: 3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
4LZM
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BU of 4lzm by Molmil
COMPARISON OF THE CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 LYSOZYME AT LOW, MEDIUM, AND HIGH IONIC STRENGTHS
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
著者Bell, J.A, Wilson, K, Zhang, X.-J, Faber, H.R, Nicholson, H, Matthews, B.W.
登録日1991-01-25
公開日1992-07-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Comparison of the crystal structure of bacteriophage T4 lysozyme at low, medium, and high ionic strengths.
Proteins, 10, 1991
6QDA
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BU of 6qda by Molmil
Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000811
分子名称: 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDG
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BU of 6qdg by Molmil
Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000169
分子名称: 3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDD
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Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000105
分子名称: 2-[(2~{S})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile, DIMETHYL SULFOXIDE, Glycylpeptide N-tetradecanoyltransferase, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020

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