2WOE
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![BU of 2woe by Molmil](/molmil-images/mine/2woe) | Crystal Structure of the D97N variant of dinitrogenase reductase- activating glycohydrolase (DRAG) from Rhodospirillum rubrum in complex with ADP-ribose | Descriptor: | ADP-RIBOSYL-[DINITROGEN REDUCTASE] GLYCOHYDROLASE, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Berthold, C.L, Wang, H, Nordlund, S, Hogbom, M. | Deposit date: | 2009-07-23 | Release date: | 2009-08-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism of Adp-Ribosylation Removal Revealed by the Structure and Ligand Complexes of the Dimanganese Mono-Adp-Ribosylhydrolase Drag. Proc.Natl.Acad.Sci.USA, 106, 2009
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2WOD
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![BU of 2wod by Molmil](/molmil-images/mine/2wod) | Crystal Structure of the dinitrogenase reductase-activating glycohydrolase (DRAG) from Rhodospirillum rubrum in complex with ADP- ribsoyllysine | Descriptor: | ADP-RIBOSYL-[DINITROGEN REDUCTASE] GLYCOHYDROLASE, CHLORIDE ION, GLYCEROL, ... | Authors: | Berthold, C.L, Wang, H, Nordlund, S, Hogbom, M. | Deposit date: | 2009-07-23 | Release date: | 2009-08-11 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanism of Adp-Ribosylation Removal Revealed by the Structure and Ligand Complexes of the Dimanganese Mono-Adp-Ribosylhydrolase Drag. Proc.Natl.Acad.Sci.USA, 106, 2009
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3IPF
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![BU of 3ipf by Molmil](/molmil-images/mine/3ipf) | Crystal structure of the Q251Q8_DESHY protein from Desulfitobacterium hafniense. Northeast Structural Genomics Consortium Target DhR8c. | Descriptor: | uncharacterized protein | Authors: | Vorobiev, S.M, Chen, Y, Seetharaman, J, Janjua, H, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Andre, I, Rossi, P, Kennedy, M, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-08-17 | Release date: | 2009-09-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.988 Å) | Cite: | Crystal structure of the Q251Q8_DESHY protein from Desulfitobacterium hafniense. To be Published
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2FH3
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![BU of 2fh3 by Molmil](/molmil-images/mine/2fh3) | C-terminal half of gelsolin soaked in low calcium at pH 8 | Descriptor: | CALCIUM ION, Gelsolin | Authors: | Chumnarnsilpa, S, Loonchanta, A, Xue, B, Choe, H, Urosev, D, Wang, H, Burtnick, L.D, Robinson, R.C. | Deposit date: | 2005-12-23 | Release date: | 2006-06-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Calcium ion exchange in crystalline gelsolin J.Mol.Biol., 357, 2006
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2HLI
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![BU of 2hli by Molmil](/molmil-images/mine/2hli) | Solution structure of Crotonaldehyde-Derived N2-[3-Oxo-1(S)-methyl-propyl]-dG DNA Adduct in the 5'-CpG-3' Sequence | Descriptor: | DNA dodecamer, DNA dodecamer with S-crotonaldehyde adduct | Authors: | Cho, Y.-J, Wang, H, Kozekov, I.D, Kurtz, A.J, Jacob, J, Voehler, M, Smith, J, Harris, T.M, Rizzo, C.J, Stone, M.P. | Deposit date: | 2006-07-07 | Release date: | 2006-09-19 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Orientation of the Crotonaldehyde-Derived N(2)-[3-Oxo-1(S)-methyl-propyl]-dG DNA Adduct Hinders Interstrand Cross-Link Formation in the 5'-CpG-3' Sequence Chem.Res.Toxicol., 19, 2006
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2YY0
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![BU of 2yy0 by Molmil](/molmil-images/mine/2yy0) | Crystal Structure of MS0802, c-Myc-1 binding protein domain from Homo sapiens | Descriptor: | C-Myc-binding protein | Authors: | Xie, Y, Wang, H, Ihsanawati, K.T, Kishishita, S, Takemoto, C, Shirozu, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-27 | Release date: | 2008-04-29 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | crystal structure of c-Myc-1 binding protein domain from Homo sapiens To be Published
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2L7K
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![BU of 2l7k by Molmil](/molmil-images/mine/2l7k) | Solution NMR Structure of protein CD1104.2 from Clostridium difficile, Northeast Structural Genomics Consortium Target CfR130 | Descriptor: | Uncharacterized protein | Authors: | Pulavarti, S.V.S.R.K, Eletsky, A, Mills, J.L, Sukumaran, D.K, Wang, H, Ciccosanti, C, Janjua, H, Acton, T.B, Xiao, R, Everett, J.K, Lee, H, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-12-13 | Release date: | 2011-02-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of CfR130 from Clostridium difficile, Northeast Structural Genomics Consortium Target CfR130 To be Published
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2FH1
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![BU of 2fh1 by Molmil](/molmil-images/mine/2fh1) | C-terminal half of gelsolin soaked in low calcium at pH 4.5 | Descriptor: | CALCIUM ION, Gelsolin | Authors: | Chumnarnsilpa, S, Loonchanta, A, Xue, B, Choe, H, Urosev, D, Wang, H, Burtnick, L.D, Robinson, R.C. | Deposit date: | 2005-12-23 | Release date: | 2006-06-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Calcium ion exchange in crystalline gelsolin J.Mol.Biol., 357, 2006
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3LXF
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![BU of 3lxf by Molmil](/molmil-images/mine/3lxf) | Crystal Structure of [2Fe-2S] Ferredoxin Arx from Novosphingobium aromaticivorans | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Ferredoxin | Authors: | Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z. | Deposit date: | 2010-02-25 | Release date: | 2010-06-23 | Last modified: | 2014-02-12 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444 J.Biol.Chem., 285, 2010
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3LXI
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![BU of 3lxi by Molmil](/molmil-images/mine/3lxi) | Crystal Structure of Camphor-Bound CYP101D1 | Descriptor: | CAMPHOR, Cytochrome P450, PHOSPHATE ION, ... | Authors: | Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z. | Deposit date: | 2010-02-25 | Release date: | 2010-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444 J.Biol.Chem., 285, 2010
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3UDY
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![BU of 3udy by Molmil](/molmil-images/mine/3udy) | Crystal Structure of BACE with Compound 11 | Descriptor: | 1,2-ETHANEDIOL, 3-bromo-4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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3UDK
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![BU of 3udk by Molmil](/molmil-images/mine/3udk) | Crystal Structure of BACE with Compound 6 | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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3LXH
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![BU of 3lxh by Molmil](/molmil-images/mine/3lxh) | Crystal Structure of Cytochrome P450 CYP101D1 | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Cytochrome P450, PHOSPHATE ION, ... | Authors: | Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z. | Deposit date: | 2010-02-25 | Release date: | 2010-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444 J.Biol.Chem., 285, 2010
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4ICZ
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![BU of 4icz by Molmil](/molmil-images/mine/4icz) | HER2 1221/1222 phosphorylation regulated by PTPN9 | Descriptor: | HER2, Tyrosine-protein phosphatase non-receptor type 9 | Authors: | Xu, Y.F, Wang, H.M, Liu, C.H, Yu, X, Sun, J.P. | Deposit date: | 2012-12-11 | Release date: | 2013-12-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | HER2 1221/1222 phosphorylation regulated by PTPN9 To be Published
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3M03
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![BU of 3m03 by Molmil](/molmil-images/mine/3m03) | Crystal structure of human Orc6 fragment | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Origin recognition complex subunit 6, SULFATE ION | Authors: | Liu, S.X, Wu, L.J, Sun, J, Wang, H.F, Liu, Y.F. | Deposit date: | 2010-03-02 | Release date: | 2011-03-09 | Last modified: | 2014-03-05 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural analysis of human Orc6 protein reveals a homology with transcription factor TFIIB Proc.Natl.Acad.Sci.USA, 108, 2011
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3G3N
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![BU of 3g3n by Molmil](/molmil-images/mine/3g3n) | PDE7A catalytic domain in complex with 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one | Descriptor: | 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ... | Authors: | Castano, T, Wang, H. | Deposit date: | 2009-02-02 | Release date: | 2009-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis, structural analysis, and biological evaluation of thioxoquinazoline derivatives as phosphodiesterase 7 inhibitors Chemmedchem, 4, 2009
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4FDB
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![BU of 4fdb by Molmil](/molmil-images/mine/4fdb) | Three-dimensional structure of the protein prib from ralstonia solanacearum at the resolution 1.8a. northeast structural genomics consortium target rsr213c | Descriptor: | ACETIC ACID, Probable primosomal replication protein n | Authors: | Kuzin, A, Neely, H, Seetharaman, J, Wang, H, Sahdev, S, Foote, E.L, Xiao, R, Liu, J, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-05-27 | Release date: | 2013-02-13 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional structure of the protein prib from ralstonia solanacearum at the resolution 1.8a. northeast structural genomics consortium target rsr213c To be Published
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6AQ4
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![BU of 6aq4 by Molmil](/molmil-images/mine/6aq4) | CRYSTAL STRUCTURE OF PROTEIN CiTE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, PYRUVATE AND CITRAMALYL-COA | Descriptor: | CHLORIDE ION, Citramalyl-CoA, Citrate lyase subunit beta-like protein, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | Deposit date: | 2017-08-18 | Release date: | 2018-08-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.825 Å) | Cite: | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism. Proc.Natl.Acad.Sci.USA, 116, 2019
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6ARB
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![BU of 6arb by Molmil](/molmil-images/mine/6arb) | CRYSTAL STRUCTURE OF PROTEIN CitE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, PYRUVATE AND COENZYME A | Descriptor: | COENZYME A, Citrate lyase subunit beta-like protein, GLYCEROL, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | Deposit date: | 2017-08-22 | Release date: | 2018-08-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.717 Å) | Cite: | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism. Proc.Natl.Acad.Sci.USA, 116, 2019
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5F7H
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![BU of 5f7h by Molmil](/molmil-images/mine/5f7h) | Human T-cell immunoglobulin and mucin domain protein 4 (hTIM-4) complex with phosphoserine | Descriptor: | CALCIUM ION, PHOSPHOSERINE, T-cell immunoglobulin and mucin domain-containing protein 4 | Authors: | Gao, G.F, Lu, G, Wang, H, Qi, J. | Deposit date: | 2015-12-08 | Release date: | 2016-02-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of human TIM members: Ebolavirus entry-enhancing receptors Chin.Sci.Bull., 60, 2015
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4PY9
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![BU of 4py9 by Molmil](/molmil-images/mine/4py9) | Crystal structure of an exopolyphosphatase-related protein from Bacteroides Fragilis. Northeast Structural Genomics target BFR192 | Descriptor: | PHOSPHATE ION, Putative exopolyphosphatase-related protein, SODIUM ION | Authors: | Seetharaman, J, Abashidze, M, Wang, H, Janjua, H, Foote, E.L, Xiao, R, Nair, R, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-03-26 | Release date: | 2014-06-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of an exopolyphosphatase-related protein from Bacteroides Fragilis. Northeast Structural Genomics target BFR192 To be Published
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6AS5
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![BU of 6as5 by Molmil](/molmil-images/mine/6as5) | CRYSTAL STRUCTURE OF PROTEIN CitE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, ACETOACETATE AND COENZYME A | Descriptor: | ACETOACETIC ACID, COENZYME A, Citrate lyase subunit beta-like protein, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | Deposit date: | 2017-08-23 | Release date: | 2018-08-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.035 Å) | Cite: | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism. Proc.Natl.Acad.Sci.USA, 116, 2019
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4QBE
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![BU of 4qbe by Molmil](/molmil-images/mine/4qbe) | The second sphere residue T263 is important for function and activity of PTP1B through modulating WPD loop | Descriptor: | Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xiao, P, Wang, X, Wang, H.M, Fu, X.L, Cui, F.A, Yu, X, Bi, W.X. | Deposit date: | 2014-05-08 | Release date: | 2014-12-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.292 Å) | Cite: | The second-sphere residue T263 is important for the function and catalytic activity of PTP1B via interaction with the WPD-loop Int.J.Biochem.Cell Biol., 57C, 2014
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4QBW
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![BU of 4qbw by Molmil](/molmil-images/mine/4qbw) | The second sphere residue T263 is important for function and activity of PTP1B through modulating WPD loop | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xiao, P, Wang, X, Wang, H.M, Fu, X.L, Cui, F.A, Yu, X, Bi, W.X, Sun, J.P. | Deposit date: | 2014-05-08 | Release date: | 2015-02-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.912 Å) | Cite: | The second-sphere residue T263 is important for the function and catalytic activity of PTP1B via interaction with the WPD-loop Int.J.Biochem.Cell Biol., 57, 2014
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4H58
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![BU of 4h58 by Molmil](/molmil-images/mine/4h58) | BRAF in complex with compound 3 | Descriptor: | CHLORIDE ION, N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine, Serine/threonine-protein kinase B-raf | Authors: | Vasbinder, M, Aquila, B, Augustin, M, Chueng, T, Cook, D, Drew, L, Fauber, B, Glossop, S, Godin, R, Grondine, M, Hennessy, E, Johannes, J, Lee, S, Lyne, P, Moertl, M, Omer, C, Palakurthi, S, Pontz, T, Read, J, Sha, L, Shen, M, Steinbacher, S, Wang, H, Wu, A, Ye, M, Bagal, B. | Deposit date: | 2012-09-18 | Release date: | 2013-02-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Discovery and Optimization of a Novel Series of Potent Mutant B-Raf(V600E) Selective Kinase Inhibitors. J.Med.Chem., 56, 2013
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