6C8C
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![BU of 6c8c by Molmil](/molmil-images/mine/6c8c) | Chimeric Pol kappa RIR Rev1 C-terminal domain in complex with JHRE06 | Descriptor: | 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 | Authors: | Najeeb, J, Zhou, P. | Deposit date: | 2018-01-24 | Release date: | 2019-06-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy. Cell, 178, 2019
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6C59
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![BU of 6c59 by Molmil](/molmil-images/mine/6c59) | Chimeric Pol kappa RIR Rev1 C-terminal domain | Descriptor: | ACETATE ION, Chimeric Pol kappa RIR Rev1 C-terminal domain | Authors: | Wojtaszek, J.L, Zhou, P. | Deposit date: | 2018-01-15 | Release date: | 2019-06-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy. Cell, 178, 2019
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5AA4
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![BU of 5aa4 by Molmil](/molmil-images/mine/5aa4) | Crystal structure of MltF from Pseudomonas aeruginosa in complex with cell-wall tetrapeptide | Descriptor: | 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 | Authors: | Dominguez-Gil, T, Acebron, I, Hermoso, J.A. | Deposit date: | 2015-07-23 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa. Structure, 24, 2016
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4OZS
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![BU of 4ozs by Molmil](/molmil-images/mine/4ozs) | RNA binding protein | Descriptor: | Alpha solenoid protein | Authors: | Gully, B.S, Bond, C.S. | Deposit date: | 2014-02-19 | Release date: | 2015-04-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | The design and structural characterization of a synthetic pentatricopeptide repeat protein. Acta Crystallogr.,Sect.D, 71, 2015
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5AA1
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![BU of 5aa1 by Molmil](/molmil-images/mine/5aa1) | Crystal structure of MltF from Pseudomonas aeruginosa in complex with NAG-anhNAM-pentapeptide | Descriptor: | 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 | Authors: | Dominguez-Gil, T, Acebron, I, Hermoso, J.A. | Deposit date: | 2015-07-23 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa. Structure, 24, 2016
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5AA2
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![BU of 5aa2 by Molmil](/molmil-images/mine/5aa2) | Crystal structure of MltF from Pseudomonas aeruginosa in complex with NAM-pentapeptide. | Descriptor: | 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 | Authors: | Dominguez-Gil, T, Acebron, I, Hermoso, J.A. | Deposit date: | 2015-07-23 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa. Structure, 24, 2016
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5CTV
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![BU of 5ctv by Molmil](/molmil-images/mine/5ctv) | Catalytic domain of LytA, the major autolysin of Streptococcus pneumoniae, (C60A, H133A, C136A mutant) complexed with peptidoglycan fragment | Descriptor: | 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 | Authors: | Achour, A, Sandalova, T, Mellroth, P. | Deposit date: | 2015-07-24 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | 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
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5CA5
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![BU of 5ca5 by Molmil](/molmil-images/mine/5ca5) | Structure of the C. elegans NONO-1 homodimer | Descriptor: | 1,2-ETHANEDIOL, NONO-1 | Authors: | Knott, G.J, Bond, C.S. | Deposit date: | 2015-06-29 | Release date: | 2015-12-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Caenorhabditis elegans NONO-1: Insights into DBHS protein structure, architecture, and function. Protein Sci., 24, 2015
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5G1M
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![BU of 5g1m by Molmil](/molmil-images/mine/5g1m) | Crystal structure of NagZ from Pseudomonas aeruginosa | Descriptor: | ACETATE ION, BETA-HEXOSAMINIDASE, CHLORIDE ION, ... | Authors: | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | Deposit date: | 2016-03-28 | Release date: | 2017-04-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc., 139, 2017
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5G2M
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![BU of 5g2m by Molmil](/molmil-images/mine/5g2m) | Crystal structure of NagZ from Pseudomonas aeruginosa in complex with N-acetylglucosamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-HEXOSAMINIDASE | Authors: | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | Deposit date: | 2016-04-09 | Release date: | 2017-05-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc., 139, 2017
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5G3R
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![BU of 5g3r by Molmil](/molmil-images/mine/5g3r) | Crystal structure of NagZ from Pseudomonas aeruginosa in complex with N-acetylglucosamine and L-Ala-1,6-anhydroMurNAc | Descriptor: | 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, ... | Authors: | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | Deposit date: | 2016-04-30 | Release date: | 2017-05-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc., 139, 2017
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5G5K
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![BU of 5g5k by Molmil](/molmil-images/mine/5g5k) | Crystal structure of NagZ from Pseudomonas aeruginosa in complex with the inhibitor 2-acetamido-1,2-dideoxynojirimycin | Descriptor: | 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, BETA-HEXOSAMINIDASE | Authors: | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | Deposit date: | 2016-05-25 | Release date: | 2017-05-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc., 139, 2017
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5HPO
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![BU of 5hpo by Molmil](/molmil-images/mine/5hpo) | Cycloalternan-forming enzyme from Listeria monocytogenes in complex with maltopentaose | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | 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) | Deposit date: | 2016-01-20 | Release date: | 2017-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
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5HXM
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![BU of 5hxm by Molmil](/molmil-images/mine/5hxm) | Cycloalternan-forming enzyme from Listeria monocytogenes in complex with panose | Descriptor: | Alpha-xylosidase, CALCIUM ION, CHLORIDE ION, ... | Authors: | 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) | Deposit date: | 2016-01-31 | Release date: | 2017-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
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5HOP
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![BU of 5hop by Molmil](/molmil-images/mine/5hop) | 1.65 Angstrom resolution crystal structure of lmo0182 (residues 1-245) from Listeria monocytogenes EGD-e | Descriptor: | ACETATE ION, Lmo0182 protein | Authors: | Halavaty, A.S, Light, S.H, Minasov, G, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-19 | Release date: | 2017-02-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
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5G6T
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![BU of 5g6t by Molmil](/molmil-images/mine/5g6t) | Crystal structure of Zn-containing NagZ H174A mutant from Pseudomonas aeruginosa | Descriptor: | BETA-HEXOSAMINIDASE, DI(HYDROXYETHYL)ETHER, ZINC ION | Authors: | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | Deposit date: | 2016-07-15 | Release date: | 2017-05-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc., 139, 2017
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5G5U
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![BU of 5g5u by Molmil](/molmil-images/mine/5g5u) | Crystal structure of NagZ H174A mutant from Pseudomonas aeruginosa | Descriptor: | BETA-HEXOSAMINIDASE | Authors: | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | Deposit date: | 2016-06-05 | Release date: | 2017-05-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc., 139, 2017
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5I0E
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![BU of 5i0e by Molmil](/molmil-images/mine/5i0e) | Cycloalternan-degrading enzyme from Trueperella pyogenes in complex with isomaltose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Glycoside hydrolase family 31, ... | Authors: | Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-02-03 | Release date: | 2016-12-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
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5I0F
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![BU of 5i0f by Molmil](/molmil-images/mine/5i0f) | Cycloalternan-degrading enzyme from Trueperella pyogenes in complex with covalent intermediate | Descriptor: | CALCIUM ION, Glycoside hydrolase family 31, TRIETHYLENE GLYCOL, ... | Authors: | Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-02-03 | Release date: | 2016-12-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
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5I0D
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![BU of 5i0d by Molmil](/molmil-images/mine/5i0d) | Cycloalternan-forming enzyme from Listeria monocytogenes in complex with cycloalternan | Descriptor: | CALCIUM ION, CHLORIDE ION, Cyclic alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose, ... | Authors: | Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-02-03 | Release date: | 2016-12-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
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5I0G
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![BU of 5i0g by Molmil](/molmil-images/mine/5i0g) | Cycloalternan-degrading enzyme from Trueperella pyogenes in complex with cycloalternan | Descriptor: | 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 | Authors: | Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-02-03 | Release date: | 2016-12-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
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3U6J
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![BU of 3u6j by Molmil](/molmil-images/mine/3u6j) | Crystal structure of the VEGFR2 kinase domain in complex with a pyrazolone inhibitor | Descriptor: | 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 | Authors: | Whittington, D.A, Long, A, Rose, P, Gu, Y, Zhao, H. | Deposit date: | 2011-10-12 | Release date: | 2012-02-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 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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3U6I
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![BU of 3u6i by Molmil](/molmil-images/mine/3u6i) | Crystal structure of c-Met in complex with pyrazolone inhibitor 58a | Descriptor: | 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 | Authors: | Bellon, S.F, Whittington, D.A, Long, A.L. | Deposit date: | 2011-10-12 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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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6KN5
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![BU of 6kn5 by Molmil](/molmil-images/mine/6kn5) | |
3U6H
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![BU of 3u6h by Molmil](/molmil-images/mine/3u6h) | Crystal structure of c-Met in complex with pyrazolone inhibitor 26 | Descriptor: | 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 | Authors: | Bellon, S.F, Whittington, D.A, Long, A.L. | Deposit date: | 2011-10-12 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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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