5V9L
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2PVJ
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![BU of 2pvj by Molmil](/molmil-images/mine/2pvj) | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | Descriptor: | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | Deposit date: | 2007-05-09 | Release date: | 2008-05-13 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2. Bioorg.Med.Chem.Lett., 17, 2007
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2PVL
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![BU of 2pvl by Molmil](/molmil-images/mine/2pvl) | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | Descriptor: | 2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | Deposit date: | 2007-05-09 | Release date: | 2008-05-13 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2. Bioorg.Med.Chem.Lett., 17, 2007
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2PVK
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![BU of 2pvk by Molmil](/molmil-images/mine/2pvk) | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | Descriptor: | 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | Deposit date: | 2007-05-09 | Release date: | 2008-05-13 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2. Bioorg.Med.Chem.Lett., 17, 2007
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2Q0K
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![BU of 2q0k by Molmil](/molmil-images/mine/2q0k) | Oxidized thioredoxin reductase from Helicobacter pylori in complex with NADP+ | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase | Authors: | Sandalova, T, Gustafsson, T, Lu, J, Holmgren, A, Schneider, G. | Deposit date: | 2007-05-22 | Release date: | 2007-07-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | High-resolution structures of oxidized and reduced thioredoxin reductase from Helicobacter pylori. Acta Crystallogr.,Sect.D, 63, 2007
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5V9O
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![BU of 5v9o by Molmil](/molmil-images/mine/5v9o) | KRAS G12C inhibitor | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Westover, K, Lu, J. | Deposit date: | 2017-03-23 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C. Cell Chem Biol, 24, 2017
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2PVH
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![BU of 2pvh by Molmil](/molmil-images/mine/2pvh) | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | Descriptor: | Casein kinase II subunit alpha, N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | Deposit date: | 2007-05-09 | Release date: | 2008-05-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2. Bioorg.Med.Chem.Lett., 17, 2007
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2PVN
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![BU of 2pvn by Molmil](/molmil-images/mine/2pvn) | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | Descriptor: | Casein kinase II subunit alpha, N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | Deposit date: | 2007-05-09 | Release date: | 2008-05-13 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2. Bioorg.Med.Chem.Lett., 17, 2007
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2PVM
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![BU of 2pvm by Molmil](/molmil-images/mine/2pvm) | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | Descriptor: | 4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | Deposit date: | 2007-05-09 | Release date: | 2008-05-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2. Bioorg.Med.Chem.Lett., 17, 2007
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2Q0L
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![BU of 2q0l by Molmil](/molmil-images/mine/2q0l) | Helicobacter pylori thioredoxin reductase reduced by sodium dithionite in complex with NADP+ | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase | Authors: | Sandalova, T, Gustafsson, T, Lu, J, Holmgren, A, Schneider, G. | Deposit date: | 2007-05-22 | Release date: | 2007-07-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | High-resolution structures of oxidized and reduced thioredoxin reductase from Helicobacter pylori. Acta Crystallogr.,Sect.D, 63, 2007
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2KC5
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1U8T
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![BU of 1u8t by Molmil](/molmil-images/mine/1u8t) | Crystal structure of CheY D13K Y106W alone and in complex with a FliM peptide | Descriptor: | Chemotaxis protein cheY, Flagellar motor switch protein fliM, SULFATE ION | Authors: | Dyer, C.M, Quillin, M.L, Campos, A, Lu, J, McEvoy, M.M, Hausrath, A.C, Westbrook, E.M, Matsumura, P, Matthews, B.W, Dahlquist, F.W. | Deposit date: | 2004-08-06 | Release date: | 2004-10-05 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the Constitutively Active Double Mutant CheY(D13K Y106W) Alone and in Complex with a FliM Peptide J.Mol.Biol., 342, 2004
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4I0X
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![BU of 4i0x by Molmil](/molmil-images/mine/4i0x) | Crystal structure of the Mycobacterum abscessus EsxEF (Mab_3112-Mab_3113) complex | Descriptor: | BETA-MERCAPTOETHANOL, ESAT-6-like protein MAB_3112, ESAT-6-like protein MAB_3113, ... | Authors: | Arbing, M.A, Chan, S, Lu, J, Kuo, E, Harris, L, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-11-19 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.956 Å) | Cite: | Heterologous expression of mycobacterial Esx complexes in Escherichia coli for structural studies is facilitated by the use of maltose binding protein fusions. Plos One, 8, 2013
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7LCO
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![BU of 7lco by Molmil](/molmil-images/mine/7lco) | Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability | Descriptor: | (3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate, 3C-like proteinase | Authors: | Khan, M.B, Lu, J, Arutyunova, E, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-01-11 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies. Eur.J.Med.Chem., 222, 2021
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7LDL
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![BU of 7ldl by Molmil](/molmil-images/mine/7ldl) | Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability | Descriptor: | 3C-like proteinase, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Authors: | Khan, M.B, Lu, J, Arutyunova, E, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-01-13 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies. Eur.J.Med.Chem., 222, 2021
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1CU0
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![BU of 1cu0 by Molmil](/molmil-images/mine/1cu0) | T4 LYSOZYME MUTANT I78M | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | Authors: | Gassner, N.C, Baase, W.A, Lindstrom, J.D, Lu, J, Matthews, B.W. | Deposit date: | 1999-08-20 | Release date: | 1999-11-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Methionine and alanine substitutions show that the formation of wild-type-like structure in the carboxy-terminal domain of T4 lysozyme is a rate-limiting step in folding. Biochemistry, 38, 1999
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1FI9
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![BU of 1fi9 by Molmil](/molmil-images/mine/1fi9) | SOLUTION STRUCTURE OF THE IMIDAZOLE COMPLEX OF CYTOCHROME C | Descriptor: | CYTOCHROME C, HEME C, IMIDAZOLE | Authors: | Banci, L, Bertini, I, Liu, G, Lu, J, Reddig, T, Tang, W, Wu, Y, Zhu, D. | Deposit date: | 2000-08-03 | Release date: | 2000-08-23 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Effects of extrinsic imidazole ligation on the molecular and electronic structure of cytochrome c J.Biol.Inorg.Chem., 6, 2001
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1CU3
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![BU of 1cu3 by Molmil](/molmil-images/mine/1cu3) | T4 LYSOZYME MUTANT V87M | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | Authors: | Gassner, N.C, Baase, W.A, Lindstrom, J.D, Lu, J, Matthews, B.W. | Deposit date: | 1999-08-20 | Release date: | 1999-11-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Methionine and alanine substitutions show that the formation of wild-type-like structure in the carboxy-terminal domain of T4 lysozyme is a rate-limiting step in folding. Biochemistry, 38, 1999
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1CUP
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![BU of 1cup by Molmil](/molmil-images/mine/1cup) | METHIONINE CORE MUTANT OF T4 LYSOZYME | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | Authors: | Gassner, N.C, Baase, W.A, Lindstrom, J.D, Lu, J, Matthews, B.W. | Deposit date: | 1999-08-20 | Release date: | 1999-11-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Methionine and alanine substitutions show that the formation of wild-type-like structure in the carboxy-terminal domain of T4 lysozyme is a rate-limiting step in folding. Biochemistry, 38, 1999
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1FI7
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![BU of 1fi7 by Molmil](/molmil-images/mine/1fi7) | Solution structure of the imidazole complex of cytochrome C | Descriptor: | CYTOCHROME C, HEME C, IMIDAZOLE | Authors: | Banci, L, Bertini, I, Liu, G, Lu, J, Reddig, T, Tang, W, Wu, Y, Zhu, D. | Deposit date: | 2000-08-03 | Release date: | 2000-08-23 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Effects of extrinsic imidazole ligation on the molecular and electronic structure of cytochrome c J.Biol.Inorg.Chem., 6, 2001
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1CU5
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![BU of 1cu5 by Molmil](/molmil-images/mine/1cu5) | T4 LYSOZYME MUTANT L91M | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | Authors: | Gassner, N.C, Baase, W.A, Lindstrom, J.D, Lu, J, Matthews, B.W. | Deposit date: | 1999-08-20 | Release date: | 1999-11-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Methionine and alanine substitutions show that the formation of wild-type-like structure in the carboxy-terminal domain of T4 lysozyme is a rate-limiting step in folding. Biochemistry, 38, 1999
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1CU2
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![BU of 1cu2 by Molmil](/molmil-images/mine/1cu2) | T4 LYSOZYME MUTANT L84M | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | Authors: | Gassner, N.C, Baase, W.A, Lindstrom, J.D, Lu, J, Matthews, B.W. | Deposit date: | 1999-08-20 | Release date: | 1999-11-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Methionine and alanine substitutions show that the formation of wild-type-like structure in the carboxy-terminal domain of T4 lysozyme is a rate-limiting step in folding. Biochemistry, 38, 1999
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1CUQ
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![BU of 1cuq by Molmil](/molmil-images/mine/1cuq) | T4 LYSOZYME MUTANT V103M | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | Authors: | Gassner, N.C, Baase, W.A, Lindstrom, J.D, Lu, J, Matthews, B.W. | Deposit date: | 1999-08-20 | Release date: | 1999-11-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Methionine and alanine substitutions show that the formation of wild-type-like structure in the carboxy-terminal domain of T4 lysozyme is a rate-limiting step in folding. Biochemistry, 38, 1999
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1CV0
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![BU of 1cv0 by Molmil](/molmil-images/mine/1cv0) | T4 LYSOZYME MUTANT F104M | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | Authors: | Gassner, N.C, Baase, W.A, Lindstrom, J.D, Lu, J, Matthews, B.W. | Deposit date: | 1999-08-20 | Release date: | 1999-11-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Methionine and alanine substitutions show that the formation of wild-type-like structure in the carboxy-terminal domain of T4 lysozyme is a rate-limiting step in folding. Biochemistry, 38, 1999
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6CEW
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![BU of 6cew by Molmil](/molmil-images/mine/6cew) | Segment AMMAAA from the low complexity domain of TDP-43, residues 321-326 | Descriptor: | AMMAAA | Authors: | Guenther, E.L, Cao, Q, Lu, J, Sawaya, M.R, Eisenberg, D.S. | Deposit date: | 2018-02-12 | Release date: | 2018-04-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation. Nat. Struct. Mol. Biol., 25, 2018
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