2ITU
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![BU of 2itu by Molmil](/molmil-images/mine/2itu) | Crystal structure of EGFR kinase domain L858R mutation in complex with AFN941 | Descriptor: | 1,2,3,4-Tetrahydrogen Staurosporine, EPIDERMAL GROWTH FACTOR RECEPTOR | Authors: | Yun, C.-H, Boggon, T.J, Li, Y, Woo, S, Greulich, H, Meyerson, M, Eck, M.J. | Deposit date: | 2006-05-25 | Release date: | 2007-04-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of Lung Cancer-Derived Egfr Mutants and Inhibitor Complexes: Mechanism of Activation and Insights Into Differential Inhibitor Sensitivity Cancer Cell, 11, 2007
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3ZRM
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![BU of 3zrm by Molmil](/molmil-images/mine/3zrm) | Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors | Descriptor: | 7-(4-HYDROXYPHENYL)-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ... | Authors: | Gentile, G, Bernasconi, G, Pozzan, A, Merlo, G, Marzorati, P, Bamborough, P, Bax, B, Bridges, A, Brough, C, Carter, P, Cutler, G, Neu, M, Takada, M. | Deposit date: | 2011-06-17 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Identification of 2-(4-Pyridyl)Thienopyridinones as Gsk-3Beta Inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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3ZRK
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![BU of 3zrk by Molmil](/molmil-images/mine/3zrk) | Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors | Descriptor: | 2-(4-PYRIDINYL)FURO[3,2-C]PYRIDIN-4(5H)-ONE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ... | Authors: | Gentile, G, Bernasconi, G, Pozzan, A, Merlo, G, Marzorati, P, Bamborough, P, Bax, B, Bridges, A, Brough, C, Carter, P, Cutler, G, Neu, M, Takada, M. | Deposit date: | 2011-06-16 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Identification of 2-(4-Pyridyl)Thienopyridinones as Gsk-3Beta Inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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3ZRL
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![BU of 3zrl by Molmil](/molmil-images/mine/3zrl) | Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors | Descriptor: | 7-BROMO-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ... | Authors: | Gentile, G, Bernasconi, G, Pozzan, A, Merlo, G, Marzorati, P, Bamborough, P, Bax, B, Bridges, A, Brough, C, Carter, P, Cutler, G, Neu, M, Takada, M. | Deposit date: | 2011-06-17 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Identification of 2-(4-Pyridyl)Thienopyridinones as Gsk-3Beta Inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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4AFJ
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![BU of 4afj by Molmil](/molmil-images/mine/4afj) | 5-aryl-4-carboxamide-1,3-oxazoles: potent and selective GSK-3 inhibitors | Descriptor: | 5-(4-METHOXYPHENYL)-N-(PYRIDIN-4-YLMETHYL)-1,3-OXAZOLE-4-CARBOXAMIDE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ... | Authors: | Gentile, G, Merlo, G, Pozzan, A, Bernasconi, G, Bax, B, Bamborough, P, Bridges, A, Carter, P, Neu, M, Yao, G, Brough, C, Cutler, G, Coffin, A, Belyanskaya, S. | Deposit date: | 2012-01-19 | Release date: | 2012-02-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | 5-Aryl-4-Carboxamide-1,3-Oxazoles: Potent and Selective Gsk-3 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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1CF4
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![BU of 1cf4 by Molmil](/molmil-images/mine/1cf4) | CDC42/ACK GTPASE-BINDING DOMAIN COMPLEX | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, PROTEIN (ACTIVATED P21CDC42HS KINASE), ... | Authors: | Mott, H.R, Owen, D, Nietlispach, D, Lowe, P.N, Lim, L, Laue, E.D. | Deposit date: | 1999-03-23 | Release date: | 1999-06-18 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structure of the small G protein Cdc42 bound to the GTPase-binding domain of ACK. Nature, 399, 1999
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4LGC
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![BU of 4lgc by Molmil](/molmil-images/mine/4lgc) | |
5AH5
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![BU of 5ah5 by Molmil](/molmil-images/mine/5ah5) | Crystal structure of the ternary complex of Agrobacterium radiobacter K84 agnB2 LeuRS-tRNA-LeuAMS | Descriptor: | 5'-O-(L-leucylsulfamoyl)adenosine, LEUCINE--TRNA LIGASE, MANGANESE (II) ION, ... | Authors: | Palencia, A, Chopra, S, Virus, C, Schulwitz, S, Temple, B.R, Cusack, S, Reader, J.S. | Deposit date: | 2015-02-05 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Characterization of Antibiotic Self-Immunity tRNA Synthetase in Plant Tumour Biocontrol Agent. Nat.Commun., 7, 2016
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5CCF
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5BUR
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![BU of 5bur by Molmil](/molmil-images/mine/5bur) | O-succinylbenzoate Coenzyme A Synthetase (MenE) from Bacillus Subtilis, in Complex with ATP and Magnesium Ion | Descriptor: | 1,2-ETHANEDIOL, 2-succinylbenzoate--CoA ligase, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Chen, Y, Sun, Y, Song, H, Guo, Z. | Deposit date: | 2015-06-04 | Release date: | 2015-08-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Structural Basis for the ATP-dependent Configuration of Adenylation Active Site in Bacillus subtilis o-Succinylbenzoyl-CoA Synthetase J.Biol.Chem., 290, 2015
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2ITP
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![BU of 2itp by Molmil](/molmil-images/mine/2itp) | Crystal structure of EGFR kinase domain G719S mutation in complex with AEE788 | Descriptor: | 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE, EPIDERMAL GROWTH FACTOR RECEPTOR PRECURSOR | Authors: | Yun, C.-H, Boggon, T.J, Li, Y, Woo, S, Greulich, H, Meyerson, M, Eck, M.J. | Deposit date: | 2006-05-25 | Release date: | 2007-04-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Structures of Lung Cancer-Derived Egfr Mutants and Inhibitor Complexes: Mechanism of Activation and Insights Into Differential Inhibitor Sensitivity Cancer Cell, 11, 2007
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2ITT
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![BU of 2itt by Molmil](/molmil-images/mine/2itt) | Crystal structure of EGFR kinase domain L858R mutation in complex with AEE788 | Descriptor: | 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE, EPIDERMAL GROWTH FACTOR RECEPTOR | Authors: | Yun, C.-H, Boggon, T.J, Li, Y, Woo, S, Greulich, H, Meyerson, M, Eck, M.J. | Deposit date: | 2006-05-25 | Release date: | 2007-04-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structures of Lung Cancer-Derived Egfr Mutants and Inhibitor Complexes: Mechanism of Activation and Insights Into Differential Inhibitor Sensitivity Cancer Cell, 11, 2007
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2ITQ
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![BU of 2itq by Molmil](/molmil-images/mine/2itq) | Crystal structure of EGFR kinase domain G719S mutation in complex with AFN941 | Descriptor: | 1,2,3,4-Tetrahydrogen Staurosporine, EPIDERMAL GROWTH FACTOR RECEPTOR | Authors: | Yun, C.-H, Boggon, T.J, Li, Y, Woo, S, Greulich, H, Meyerson, M, Eck, M.J. | Deposit date: | 2006-05-25 | Release date: | 2007-04-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structures of Lung Cancer-Derived Egfr Mutants and Inhibitor Complexes: Mechanism of Activation and Insights Into Differential Inhibitor Sensitivity Cancer Cell, 11, 2007
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6XHF
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![BU of 6xhf by Molmil](/molmil-images/mine/6xhf) | Structure of Phenylalanyl-5'-O-adenosine phosphoramidate | Descriptor: | (2~{S})-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]-3-phenyl-propanoic acid, CHLORIDE ION, Ribonuclease pancreatic | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2020-06-18 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Enzyme-Free Release of Nucleotides from Phosphoramidates Depends Strongly on the Amino Acid. Angew.Chem.Int.Ed.Engl., 59, 2020
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6XHD
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![BU of 6xhd by Molmil](/molmil-images/mine/6xhd) | Structure of Prolinyl-5'-O-adenosine phosphoramidate | Descriptor: | (2~{S})-1-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]pyrrolidine-2-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, ... | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2020-06-18 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | The Enzyme-Free Release of Nucleotides from Phosphoramidates Depends Strongly on the Amino Acid. Angew.Chem.Int.Ed.Engl., 59, 2020
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7NEF
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![BU of 7nef by Molmil](/molmil-images/mine/7nef) | Fucosylated linear peptide Fln65 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 1.5 Angstrom resolution | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fln65, ... | Authors: | Personne, H, Baeriswyl, S, Stocker, A, Reymond, J.-L. | Deposit date: | 2021-02-03 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography. Rsc Chem Biol, 2, 2021
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7NEW
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![BU of 7new by Molmil](/molmil-images/mine/7new) | Fucosylated heterochiral linear peptide Fdln69 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 2.0 Angstrom resolution | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ... | Authors: | Personne, H, Baeriswyl, S, Stocker, A, Reymond, J.-L. | Deposit date: | 2021-02-05 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography. Rsc Chem Biol, 2, 2021
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2ITZ
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![BU of 2itz by Molmil](/molmil-images/mine/2itz) | Crystal structure of EGFR kinase domain L858R mutation in complex with Iressa | Descriptor: | CHLORIDE ION, EPIDERMAL GROWTH FACTOR RECEPTOR, Gefitinib | Authors: | Yun, C.-H, Boggon, T.J, Li, Y, Woo, S, Greulich, H, Meyerson, M, Eck, M.J. | Deposit date: | 2006-05-25 | Release date: | 2007-04-03 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of Lung Cancer-Derived Egfr Mutants and Inhibitor Complexes: Mechanism of Activation and Insights Into Differential Inhibitor Sensitivity Cancer Cell, 11, 2007
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2ITY
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![BU of 2ity by Molmil](/molmil-images/mine/2ity) | Crystal structure of EGFR kinase domain in complex with Iressa | Descriptor: | EPIDERMAL GROWTH FACTOR RECEPTOR, Gefitinib | Authors: | Yun, C.-H, Boggon, T.J, Li, Y, Woo, S, Greulich, H, Meyerson, M, Eck, M.J. | Deposit date: | 2006-05-25 | Release date: | 2007-04-03 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.42 Å) | Cite: | Structures of Lung Cancer-Derived Egfr Mutants and Inhibitor Complexes: Mechanism of Activation and Insights Into Differential Inhibitor Sensitivity Cancer Cell, 11, 2007
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2ITO
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![BU of 2ito by Molmil](/molmil-images/mine/2ito) | Crystal structure of EGFR kinase domain G719S mutation in complex with Iressa | Descriptor: | EPIDERMAL GROWTH FACTOR RECEPTOR, Gefitinib | Authors: | Yun, C.-H, Boggon, T.J, Li, Y, Woo, S, Greulich, H, Meyerson, M, Eck, M.J. | Deposit date: | 2006-05-25 | Release date: | 2007-04-03 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structures of Lung Cancer-Derived Egfr Mutants and Inhibitor Complexes: Mechanism of Activation and Insights Into Differential Inhibitor Sensitivity Cancer Cell, 11, 2007
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2OK8
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![BU of 2ok8 by Molmil](/molmil-images/mine/2ok8) | Ferredoxin-NADP+ reductase from Plasmodium falciparum | Descriptor: | CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, Putative ferredoxin--NADP reductase | Authors: | Milani, M, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2007-01-16 | Release date: | 2007-02-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ferredoxin-NADP(+) Reductase from Plasmodium falciparum Undergoes NADP(+)-dependent Dimerization and Inactivation: Functional and Crystallographic Analysis. J.Mol.Biol., 367, 2007
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6XHC
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![BU of 6xhc by Molmil](/molmil-images/mine/6xhc) | Structure of glycinyl 5'-O-adenosine phosphoramidate | Descriptor: | 2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]ethanoic acid, Ribonuclease pancreatic | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2020-06-18 | Release date: | 2020-12-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Enzyme-Free Release of Nucleotides from Phosphoramidates Depends Strongly on the Amino Acid. Angew.Chem.Int.Ed.Engl., 59, 2020
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5WRP
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![BU of 5wrp by Molmil](/molmil-images/mine/5wrp) | T-state crystal structure of pyruvate kinase from Mycobacterium tuberculosis | Descriptor: | PHOSPHATE ION, Pyruvate kinase | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | Deposit date: | 2016-12-02 | Release date: | 2017-11-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis. Nat Commun, 8, 2017
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5WS8
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![BU of 5ws8 by Molmil](/molmil-images/mine/5ws8) | Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate | Descriptor: | MAGNESIUM ION, OXALATE ION, Pyruvate kinase | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | Deposit date: | 2016-12-06 | Release date: | 2017-11-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis. Nat Commun, 8, 2017
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5WSA
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![BU of 5wsa by Molmil](/molmil-images/mine/5wsa) | Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate and allosteric activator Glucose 6-Phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, OXALATE ION, ... | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | Deposit date: | 2016-12-06 | Release date: | 2017-11-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis. Nat Commun, 8, 2017
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