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6C8C
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BU of 6c8c by Molmil
Chimeric Pol kappa RIR Rev1 C-terminal domain in complex with JHRE06
分子名称: 8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1H)-one, Chimeric protein of the Pol Kappa RIR helix and the Rev1 C-terminal domain
著者Najeeb, J, Zhou, P.
登録日2018-01-24
公開日2019-06-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy.
Cell, 178, 2019
6C59
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BU of 6c59 by Molmil
Chimeric Pol kappa RIR Rev1 C-terminal domain
分子名称: ACETATE ION, Chimeric Pol kappa RIR Rev1 C-terminal domain
著者Wojtaszek, J.L, Zhou, P.
登録日2018-01-15
公開日2019-06-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy.
Cell, 178, 2019
5AA4
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BU of 5aa4 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa in complex with cell-wall tetrapeptide
分子名称: MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, [6-[[(2~{R})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(2~{S})-2-[[(2~{R})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium
著者Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
登録日2015-07-23
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
4OZS
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BU of 4ozs by Molmil
RNA binding protein
分子名称: Alpha solenoid protein
著者Gully, B.S, Bond, C.S.
登録日2014-02-19
公開日2015-04-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献The design and structural characterization of a synthetic pentatricopeptide repeat protein.
Acta Crystallogr.,Sect.D, 71, 2015
5AA1
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BU of 5aa1 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa in complex with NAG-anhNAM-pentapeptide
分子名称: CHLORIDE ION, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, N-ACETYLGLUCOSAMINE-1,6-ANHYDRO-N-ACETYLMURAMIC ACID L-ALA-D-GLU-M-DAP-D-ALA-D-ALA
著者Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
登録日2015-07-23
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
5AA2
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BU of 5aa2 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa in complex with NAM-pentapeptide.
分子名称: CHLORIDE ION, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, N-ACETYLGLUCOSAMINE-1,6-ANHYDRO-N-ACETYLMURAMIC ACID L-ALA-D-GLU-M-DAP-D-ALA-D-ALA
著者Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
登録日2015-07-23
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
5CTV
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BU of 5ctv by Molmil
Catalytic domain of LytA, the major autolysin of Streptococcus pneumoniae, (C60A, H133A, C136A mutant) complexed with peptidoglycan fragment
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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, Autolysin, fragment of peptidoglycan
著者Achour, A, Sandalova, T, Mellroth, P.
登録日2015-07-24
公開日2016-06-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献The crystal structure of the major pneumococcal autolysin LytA in complex with a large peptidoglycan fragment reveals the pivotal role of glycans for lytic activity.
Mol.Microbiol., 101, 2016
5CA5
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BU of 5ca5 by Molmil
Structure of the C. elegans NONO-1 homodimer
分子名称: 1,2-ETHANEDIOL, NONO-1
著者Knott, G.J, Bond, C.S.
登録日2015-06-29
公開日2015-12-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Caenorhabditis elegans NONO-1: Insights into DBHS protein structure, architecture, and function.
Protein Sci., 24, 2015
5G1M
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BU of 5g1m by Molmil
Crystal structure of NagZ from Pseudomonas aeruginosa
分子名称: ACETATE ION, BETA-HEXOSAMINIDASE, CHLORIDE ION, ...
著者Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
登録日2016-03-28
公開日2017-04-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
5G2M
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BU of 5g2m by Molmil
Crystal structure of NagZ from Pseudomonas aeruginosa in complex with N-acetylglucosamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-HEXOSAMINIDASE
著者Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
登録日2016-04-09
公開日2017-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
5G3R
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BU of 5g3r by Molmil
Crystal structure of NagZ from Pseudomonas aeruginosa in complex with N-acetylglucosamine and L-Ala-1,6-anhydroMurNAc
分子名称: 2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase, ...
著者Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
登録日2016-04-30
公開日2017-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
5G5K
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BU of 5g5k by Molmil
Crystal structure of NagZ from Pseudomonas aeruginosa in complex with the inhibitor 2-acetamido-1,2-dideoxynojirimycin
分子名称: 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, BETA-HEXOSAMINIDASE
著者Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
登録日2016-05-25
公開日2017-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
5HPO
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BU of 5hpo by Molmil
Cycloalternan-forming enzyme from Listeria monocytogenes in complex with maltopentaose
分子名称: CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Halavaty, A.S, Light, S.H, Minasov, G, Winsor, J, Grimshaw, S, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-01-20
公開日2017-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Structure, 25, 2017
5HXM
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BU of 5hxm by Molmil
Cycloalternan-forming enzyme from Listeria monocytogenes in complex with panose
分子名称: Alpha-xylosidase, CALCIUM ION, CHLORIDE ION, ...
著者Halavaty, A.S, Light, S.H, Minasov, G, Winsor, J, Grimshaw, S, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-01-31
公開日2017-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Structure, 25, 2017
5HOP
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BU of 5hop by Molmil
1.65 Angstrom resolution crystal structure of lmo0182 (residues 1-245) from Listeria monocytogenes EGD-e
分子名称: ACETATE ION, Lmo0182 protein
著者Halavaty, A.S, Light, S.H, Minasov, G, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-01-19
公開日2017-02-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Structure, 25, 2017
5G6T
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BU of 5g6t by Molmil
Crystal structure of Zn-containing NagZ H174A mutant from Pseudomonas aeruginosa
分子名称: BETA-HEXOSAMINIDASE, DI(HYDROXYETHYL)ETHER, ZINC ION
著者Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
登録日2016-07-15
公開日2017-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
5G5U
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BU of 5g5u by Molmil
Crystal structure of NagZ H174A mutant from Pseudomonas aeruginosa
分子名称: BETA-HEXOSAMINIDASE
著者Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
登録日2016-06-05
公開日2017-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
5I0E
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BU of 5i0e by Molmil
Cycloalternan-degrading enzyme from Trueperella pyogenes in complex with isomaltose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Glycoside hydrolase family 31, ...
著者Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-02-03
公開日2016-12-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Structure, 25, 2017
5I0F
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BU of 5i0f by Molmil
Cycloalternan-degrading enzyme from Trueperella pyogenes in complex with covalent intermediate
分子名称: CALCIUM ION, Glycoside hydrolase family 31, TRIETHYLENE GLYCOL, ...
著者Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-02-03
公開日2016-12-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Structure, 25, 2017
5I0D
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BU of 5i0d by Molmil
Cycloalternan-forming enzyme from Listeria monocytogenes in complex with cycloalternan
分子名称: CALCIUM ION, CHLORIDE ION, Cyclic alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose, ...
著者Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-02-03
公開日2016-12-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Structure, 25, 2017
5I0G
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BU of 5i0g by Molmil
Cycloalternan-degrading enzyme from Trueperella pyogenes in complex with cycloalternan
分子名称: Cyclic alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose, Glycoside hydrolase family 31, SUCCINIC ACID
著者Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-02-03
公開日2016-12-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Structure, 25, 2017
3U6J
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BU of 3u6j by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyrazolone inhibitor
分子名称: N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A, Rose, P, Gu, Y, Zhao, H.
登録日2011-10-12
公開日2012-02-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
3U6I
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BU of 3u6i by Molmil
Crystal structure of c-Met in complex with pyrazolone inhibitor 58a
分子名称: Hepatocyte growth factor receptor, N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
著者Bellon, S.F, Whittington, D.A, Long, A.L.
登録日2011-10-12
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
6KN5
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BU of 6kn5 by Molmil
Crystal structure of AFF4 C-terminal domain
分子名称: AF4/FMR2 family member 4
著者Chen, L.J, Yang, W.S, Xu, R.M.
登録日2019-08-03
公開日2020-07-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Acetylation of histone H3K27 signals the transcriptional elongation for estrogen receptor alpha.
Commun Biol, 3, 2020
3U6H
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BU of 3u6h by Molmil
Crystal structure of c-Met in complex with pyrazolone inhibitor 26
分子名称: Hepatocyte growth factor receptor, N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
著者Bellon, S.F, Whittington, D.A, Long, A.L.
登録日2011-10-12
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012

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