5C8K
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![BU of 5c8k by Molmil](/molmil-images/mine/5c8k) | EGFR kinase domain mutant "TMLR" with compound 1 | Descriptor: | 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-06-25 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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4XJC
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![BU of 4xjc by Molmil](/molmil-images/mine/4xjc) | dCTP deaminase-dUTPase from Bacillus halodurans | Descriptor: | DI(HYDROXYETHYL)ETHER, Deoxycytidine triphosphate deaminase, MAGNESIUM ION, ... | Authors: | Oehlenschlaeger, C, Loevgreen, M, Willemoes, M, Harris, P. | Deposit date: | 2015-01-08 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Bacillus halodurans Strain C125 Encodes and Synthesizes Enzymes from Both Known Pathways To Form dUMP Directly from Cytosine Deoxyribonucleotides. Appl.Environ.Microbiol., 81, 2015
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1KNZ
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![BU of 1knz by Molmil](/molmil-images/mine/1knz) | Recognition of the rotavirus mRNA 3' consensus by an asymmetric NSP3 homodimer | Descriptor: | 5'-R(*UP*GP*AP*CP*C)-3', Nonstructural RNA-binding Protein 34 | Authors: | Deo, R.C, Groft, C.M, Rajashankar, K.R, Burley, S.K. | Deposit date: | 2001-12-19 | Release date: | 2002-01-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Recognition of the rotavirus mRNA 3' consensus by an asymmetric NSP3 homodimer. Cell(Cambridge,Mass.), 108, 2002
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4XOO
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![BU of 4xoo by Molmil](/molmil-images/mine/4xoo) | FMN complex of coenzyme F420:L-glutamate ligase (FbiB) from Mycobacterium tuberculosis (C-terminal domain) | Descriptor: | Coenzyme F420:L-glutamate ligase, FLAVIN MONONUCLEOTIDE | Authors: | Rehan, A.M, Bashiri, G, Baker, H.M, Baker, E.N, Squire, C.J. | Deposit date: | 2015-01-16 | Release date: | 2016-02-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Elongation of the Poly-gamma-glutamate Tail of F420 Requires Both Domains of the F420: gamma-Glutamyl Ligase (FbiB) of Mycobacterium tuberculosis. J.Biol.Chem., 291, 2016
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3KMQ
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![BU of 3kmq by Molmil](/molmil-images/mine/3kmq) | G62S mutant of foot-and-mouth disease virus RNA-polymerase in complex with a template- primer RNA, tetragonal structure | Descriptor: | 3D polymerase, RNA (5'-R(*GP*GP*CP*CP*C)-3'), RNA (5'-R(P*GP*GP*GP*CP*C)-3') | Authors: | Ferrer-Orta, C, Verdaguer, N, Perez-Luque, R. | Deposit date: | 2009-11-11 | Release date: | 2010-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structure of foot-and-mouth disease virus mutant polymerases with reduced sensitivity to ribavirin J.Virol., 84, 2010
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7X5D
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![BU of 7x5d by Molmil](/molmil-images/mine/7x5d) | |
4XOQ
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![BU of 4xoq by Molmil](/molmil-images/mine/4xoq) | F420 complex of coenzyme F420:L-glutamate ligase (FbiB) from Mycobacterium tuberculosis (C-terminal domain) | Descriptor: | COENZYME F420, Coenzyme F420:L-glutamate ligase, SULFATE ION | Authors: | Rehan, A.M, Bashiri, G, Baker, H.M, Baker, E.N, Squire, C.J. | Deposit date: | 2015-01-16 | Release date: | 2016-02-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Elongation of the Poly-gamma-glutamate Tail of F420 Requires Both Domains of the F420: gamma-Glutamyl Ligase (FbiB) of Mycobacterium tuberculosis. J.Biol.Chem., 291, 2016
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1LCO
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![BU of 1lco by Molmil](/molmil-images/mine/1lco) | |
1ALE
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![BU of 1ale by Molmil](/molmil-images/mine/1ale) | |
197D
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![BU of 197d by Molmil](/molmil-images/mine/197d) | |
2YJW
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![BU of 2yjw by Molmil](/molmil-images/mine/2yjw) | Tricyclic series of Hsp90 inhibitors | Descriptor: | 4-(5-METHYL-4-PHENYLISOXAZOL-3-YL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Dupuy, A, Vallee, F. | Deposit date: | 2011-05-24 | Release date: | 2011-10-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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5C8M
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![BU of 5c8m by Molmil](/molmil-images/mine/5c8m) | EGFR kinase domain mutant "TMLR" with compound 17 | Descriptor: | 2-methyl-N-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-06-25 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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5YJ3
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![BU of 5yj3 by Molmil](/molmil-images/mine/5yj3) | Crystal structure of TZAP and telomeric DNA complex | Descriptor: | DNA (5'-D(*CP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*G)-3'), Telomere zinc finger-associated protein, ... | Authors: | Li, F, Zhao, Y. | Deposit date: | 2017-10-07 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.845 Å) | Cite: | The 11th C2H2 zinc finger and an adjacent C-terminal arm are responsible for TZAP recognition of telomeric DNA. Cell Res., 28, 2018
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1UCH
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![BU of 1uch by Molmil](/molmil-images/mine/1uch) | DEUBIQUITINATING ENZYME UCH-L3 (HUMAN) AT 1.8 ANGSTROM RESOLUTION | Descriptor: | UBIQUITIN C-TERMINAL HYDROLASE UCH-L3 | Authors: | Johnston, S.C, Larsen, C.N, Cook, W.J, Wilkinson, K.D, Hill, C.P. | Deposit date: | 1997-10-06 | Release date: | 1998-01-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a deubiquitinating enzyme (human UCH-L3) at 1.8 A resolution. EMBO J., 16, 1997
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1QLE
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![BU of 1qle by Molmil](/molmil-images/mine/1qle) | |
4XX5
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![BU of 4xx5 by Molmil](/molmil-images/mine/4xx5) | Structure of PI3K gamma in complex with an inhibitor | Descriptor: | N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M. | Deposit date: | 2015-01-29 | Release date: | 2015-08-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structure of PI3K gamma in complex with an inhibitor To Be Published
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4XZ4
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![BU of 4xz4 by Molmil](/molmil-images/mine/4xz4) | Structure of PI3K gamma in complex with an inhibitor | Descriptor: | N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M. | Deposit date: | 2015-02-03 | Release date: | 2016-02-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of PI3K gamma in complex with an inhibitor To Be Published
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4XOM
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![BU of 4xom by Molmil](/molmil-images/mine/4xom) | Coenzyme F420:L-glutamate ligase (FbiB) from Mycobacterium tuberculosis (C-terminal domain). | Descriptor: | Coenzyme F420:L-glutamate ligase, SULFATE ION | Authors: | Rehan, A.M, Bashiri, G, Baker, H.M, Baker, E.N, Squire, C.J. | Deposit date: | 2015-01-16 | Release date: | 2016-02-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Elongation of the Poly-gamma-glutamate Tail of F420 Requires Both Domains of the F420: gamma-Glutamyl Ligase (FbiB) of Mycobacterium tuberculosis. J.Biol.Chem., 291, 2016
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5CZB
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![BU of 5czb by Molmil](/molmil-images/mine/5czb) | HCV NS5B IN COMPLEX WITH LIGAND IDX17119-5 | Descriptor: | 1-[4-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-{[(R)-(2,4-dimethylphenyl)(methoxy)phosphoryl]amino}-1H-pyrazole-4-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pierra, C, Dousson, C, Augustin, M. | Deposit date: | 2015-07-31 | Release date: | 2016-06-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Synthesis of potent and broad genotypically active NS5B HCV non-nucleoside inhibitors binding to the thumb domain allosteric site 2 of the viral polymerase. Bioorg.Med.Chem.Lett., 26, 2016
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2W2W
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![BU of 2w2w by Molmil](/molmil-images/mine/2w2w) | PLCg2 Split Pleckstrin Homology (PH) Domain | Descriptor: | 1-PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE PHOSPHODIESTERASE GAMMA-2 | Authors: | Opaleye, O, Bunney, T.D, Roe, S.M, Pearl, L.H. | Deposit date: | 2008-11-04 | Release date: | 2009-05-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Insights Into Formation of an Active Signaling Complex between Rac and Phospholipase C Gamma 2. Mol.Cell, 34, 2009
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1WMZ
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![BU of 1wmz by Molmil](/molmil-images/mine/1wmz) | Crystal Structure of C-type Lectin CEL-I complexed with N-acetyl-D-galactosamine | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, ... | Authors: | Sugawara, H, Kusunoki, M, Kurisu, G, Fujimoto, T, Aoyagi, H, Hatakeyama, T. | Deposit date: | 2004-07-22 | Release date: | 2004-09-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Characteristic Recognition of N-Acetylgalactosamine by an Invertebrate C-type Lectin, CEL-I, Revealed by X-ray Crystallographic Analysis J.Biol.Chem., 279, 2004
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4Y8W
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![BU of 4y8w by Molmil](/molmil-images/mine/4y8w) | Crystal Structure of Human Cytochrome P450 21A2 Progesterone Complex | Descriptor: | Cytochrome P450 21-hydroxylase, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Pallan, P.S, Lei, L, Egli, M. | Deposit date: | 2015-02-16 | Release date: | 2015-04-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Human Cytochrome P450 21A2, the Major Steroid 21-Hydroxylase: STRUCTURE OF THE ENZYMEPROGESTERONE SUBSTRATE COMPLEX AND RATE-LIMITING C-H BOND CLEAVAGE. J.Biol.Chem., 290, 2015
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2LBI
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![BU of 2lbi by Molmil](/molmil-images/mine/2lbi) | N2-dG:N2-dG interstrand cross-link induced by trans-4-hydroxynonenal | Descriptor: | (4S)-nonane-1,4-diol, DNA (5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*TP*CP*GP*CP*TP*AP*GP*C)-3') | Authors: | Huang, H, Kozekov, I.D, Wang, H, Kozekova, A, Rizzo, C.J, Stone, M.P. | Deposit date: | 2011-03-31 | Release date: | 2012-04-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Formation of a N2-dG:N2-dG carbinolamine DNA cross-link by the trans-4-hydroxynonenal-derived (6S,8R,11S) 1,N2-dG adduct. J.Am.Chem.Soc., 133, 2011
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1ALF
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![BU of 1alf by Molmil](/molmil-images/mine/1alf) | |
1WU9
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![BU of 1wu9 by Molmil](/molmil-images/mine/1wu9) | Crystal structure of the C-terminal domain of the end-binding protein 1 (EB1) | Descriptor: | Microtubule-associated protein RP/EB family member 1 | Authors: | Honnappa, S, John, C.M, Kostrewa, D, Winkler, F.K, Steinmetz, M.O. | Deposit date: | 2004-12-02 | Release date: | 2005-02-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural insights into the EB1-APC interaction Embo J., 24, 2005
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