3NWA
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![BU of 3nwa by Molmil](/molmil-images/mine/3nwa) | Glycoprotein B from Herpes simplex virus type 1, W174R mutant, low-pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein B, MESO-ERYTHRITOL | Authors: | Stampfer, S.D, Lou, H, Cohen, G.H, Eisenberg, R.J, Heldwein, E.E. | Deposit date: | 2010-07-09 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2629 Å) | Cite: | Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1. J.Virol., 84, 2010
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6MUY
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![BU of 6muy by Molmil](/molmil-images/mine/6muy) | Fluoroacetate dehalogenase, room temperature structure solved by serial 3 degree oscillation crystallography | Descriptor: | CALCIUM ION, Fluoroacetate dehalogenase | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | Deposit date: | 2018-10-24 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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1YWN
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![BU of 1ywn by Molmil](/molmil-images/mine/1ywn) | Vegfr2 in complex with a novel 4-amino-furo[2,3-d]pyrimidine | Descriptor: | N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA, Vascular endothelial growth factor receptor 2 | Authors: | Miyazaki, Y, Matsunaga, S, Tang, J, Maeda, Y, Nakano, M, Philippe, R.J, Shibahara, M, Liu, W, Sato, H, Wang, L, Nolte, R.T. | Deposit date: | 2005-02-18 | Release date: | 2005-08-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors Bioorg.Med.Chem.Lett., 15, 2005
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1Z8Y
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![BU of 1z8y by Molmil](/molmil-images/mine/1z8y) | Mapping the E2 Glycoprotein of Alphaviruses | Descriptor: | Capsid protein C, Spike glycoprotein E1, Spike glycoprotein E2 | Authors: | Mukhopadhyay, S, Zhang, W, Gabler, S, Chipman, P.R, Strauss, E.G, Strauss, J.H, Baker, T.S, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2005-03-31 | Release date: | 2006-02-07 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Mapping the structure and function of the E1 and E2 glycoproteins in alphaviruses. Structure, 14, 2006
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1Z7S
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![BU of 1z7s by Molmil](/molmil-images/mine/1z7s) | The crystal structure of coxsackievirus A21 | Descriptor: | CALCIUM ION, GUANOSINE-5'-MONOPHOSPHATE, Human COXSACKIEVIRUS A21, ... | Authors: | Xiao, C, Bator-Kelly, C.M, Rieder, E, Chipman, P.R, Craig, A, Kuhn, R.J, Wimmer, E, Rossmann, M.G. | Deposit date: | 2005-03-28 | Release date: | 2005-08-02 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The crystal structure of coxsackievirus a21 and its interaction with icam-1. Structure, 13, 2005
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6N00
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![BU of 6n00 by Molmil](/molmil-images/mine/6n00) | Fluoroacetate dehalogenase, room temperature structure, using last 1 degree of total 3 degree oscillation and 144 kGy dose | Descriptor: | CALCIUM ION, Fluoroacetate dehalogenase | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | Deposit date: | 2018-11-06 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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6N03
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![BU of 6n03 by Molmil](/molmil-images/mine/6n03) | CO-bound Sperm Whale Myoglobin, room temperature structure, last 2 degrees of 5 degree total oscillation and 160 kGy dose | Descriptor: | CARBON MONOXIDE, Myoglobin, CO-bound, ... | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | Deposit date: | 2018-11-06 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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1YY4
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![BU of 1yy4 by Molmil](/molmil-images/mine/1yy4) | Crystal structure of estrogen receptor beta complexed with 1-chloro-6-(4-hydroxy-phenyl)-naphthalen-2-ol | Descriptor: | 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1 | Authors: | Mewshaw, R.E, Edsall Jr, R.J, Yang, C, Manas, E.S, Xu, Z.B, Henderson, R.A, Keith Jr, J.C, Harris, H.A. | Deposit date: | 2005-02-23 | Release date: | 2006-02-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity J.Med.Chem., 48, 2005
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1YZW
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![BU of 1yzw by Molmil](/molmil-images/mine/1yzw) | The 2.1A Crystal Structure of the Far-red Fluorescent Protein HcRed: Inherent Conformational Flexibility of the Chromophore | Descriptor: | DI(HYDROXYETHYL)ETHER, GFP-like non-fluorescent chromoprotein | Authors: | Wilmann, P.G, Petersen, J, Pettikiriarachchi, A, Buckle, A.M, Devenish, R.J, Prescott, M, Rossjohn, J. | Deposit date: | 2005-02-28 | Release date: | 2005-05-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The 2.1A Crystal Structure of the Far-red Fluorescent Protein HcRed: Inherent Conformational Flexibility of the Chromophore J.Mol.Biol., 349, 2005
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1Z8G
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![BU of 1z8g by Molmil](/molmil-images/mine/1z8g) | Crystal structure of the extracellular region of the transmembrane serine protease hepsin with covalently bound preferred substrate. | Descriptor: | ACE-LYS-GLN-LEU-ARG-Chloromethylketone, Serine protease hepsin | Authors: | Herter, S, Piper, D.E, Aaron, W, Gabriele, T, Cutler, G, Cao, P, Bhatt, A.S, Choe, Y, Craik, C.S, Walker, N, Meininger, D, Hoey, T, Austin, R.J. | Deposit date: | 2005-03-30 | Release date: | 2005-05-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Hepatocyte growth factor is a preferred in vitro substrate for human hepsin, a membrane-anchored serine protease implicated in prostate and ovarian cancers Biochem.J., 390, 2005
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1ZNH
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![BU of 1znh by Molmil](/molmil-images/mine/1znh) | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex | Descriptor: | CADMIUM ION, Major Urinary Protein, OCTAN-1-OL | Authors: | Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W. | Deposit date: | 2005-05-11 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex. J.Am.Chem.Soc., 127, 2005
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1YV0
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![BU of 1yv0 by Molmil](/molmil-images/mine/1yv0) | Crystal structure of skeletal muscle troponin in the Ca2+-free state | Descriptor: | MAGNESIUM ION, Troponin C, skeletal muscle, ... | Authors: | Vinogradova, M.V, Stone, D.B, Malanina, G.G, Karatzaferi, C, Cooke, R, Mendelson, R.A, Fletterick, R.J. | Deposit date: | 2005-02-14 | Release date: | 2005-04-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (7 Å) | Cite: | Ca2+-regulated structural changes in troponin Proc.Natl.Acad.Sci.USA, 102, 2005
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1ZND
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![BU of 1znd by Molmil](/molmil-images/mine/1znd) | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex | Descriptor: | CADMIUM ION, Major Urinary Protein, PENTAN-1-OL | Authors: | Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W. | Deposit date: | 2005-05-11 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex. J.Am.Chem.Soc., 127, 2005
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1ZNK
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![BU of 1znk by Molmil](/molmil-images/mine/1znk) | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex | Descriptor: | CADMIUM ION, Major Urinary Protein, NONAN-1-OL | Authors: | Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W. | Deposit date: | 2005-05-11 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex. J.Am.Chem.Soc., 127, 2005
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1ZM0
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![BU of 1zm0 by Molmil](/molmil-images/mine/1zm0) | Crystal Structure of the Carboxyl Terminal PH Domain of Pleckstrin To 2.1 Angstroms | Descriptor: | Pleckstrin | Authors: | Jackson, S.G, Zhang, Y, Zhang, K, Summerfield, R, Haslam, R.J, Junop, M.S. | Deposit date: | 2005-05-09 | Release date: | 2006-02-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the carboxy-terminal PH domain of pleckstrin at 2.1 Angstroms. Acta Crystallogr.,Sect.D, 62, 2006
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1ZNE
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![BU of 1zne by Molmil](/molmil-images/mine/1zne) | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex | Descriptor: | CADMIUM ION, HEXAN-1-OL, Major Urinary Protein | Authors: | Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W. | Deposit date: | 2005-05-11 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex. J.Am.Chem.Soc., 127, 2005
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1YYE
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![BU of 1yye by Molmil](/molmil-images/mine/1yye) | Crystal structure of estrogen receptor beta complexed with way-202196 | Descriptor: | 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1 | Authors: | Mewshaw, R.E, Edsall Jr, R.J, Yang, C, Manas, E.S, Xu, Z.B, Henderson, R.A, Keith Jr, J.C, Harris, H.A. | Deposit date: | 2005-02-24 | Release date: | 2006-02-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity J.Med.Chem., 48, 2005
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1ZNL
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![BU of 1znl by Molmil](/molmil-images/mine/1znl) | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex | Descriptor: | CADMIUM ION, DECAN-1-OL, Major Urinary Protein | Authors: | Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W. | Deposit date: | 2005-05-11 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex. J.Am.Chem.Soc., 127, 2005
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1ZAF
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![BU of 1zaf by Molmil](/molmil-images/mine/1zaf) | Crystal structure of estrogen receptor beta complexed with 3-Bromo-6-hydroxy-2-(4-hydroxy-phenyl)-inden-1-one | Descriptor: | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | McDevitt, R.E, Malamas, M.S, Manas, E.S, Unwalla, R.J, Xu, Z.B, Miller, C.P, Harris, H.A. | Deposit date: | 2005-04-06 | Release date: | 2006-04-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Estrogen receptor ligands: design and synthesis of new 2-arylindene-1-ones Bioorg.Med.Chem.Lett., 15, 2005
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1ZBL
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![BU of 1zbl by Molmil](/molmil-images/mine/1zbl) | Bacillus halodurans RNase H catalytic domain mutant D192N in complex with 12-mer RNA/DNA hybrid | Descriptor: | 5'-D(*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*C)-3', 5'-R(*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*C)-3', MAGNESIUM ION, ... | Authors: | Nowotny, M, Gaidamakov, S.A, Crouch, R.J, Yang, W. | Deposit date: | 2005-04-08 | Release date: | 2005-07-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structures of RNase H Bound to an RNA/DNA Hybrid: Substrate Specificity and Metal-Dependent Catalysis. Cell(Cambridge,Mass.), 121, 2005
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3O3L
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![BU of 3o3l by Molmil](/molmil-images/mine/3o3l) | Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol (1,3,4,5)tetrakisphosphate | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Gruninger, R.J, Selinger, L.B, Mosimann, S.C. | Deposit date: | 2010-07-25 | Release date: | 2011-12-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural analysis of substrate binding in PTPLPs To be Published
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3NWF
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![BU of 3nwf by Molmil](/molmil-images/mine/3nwf) | Glycoprotein B from Herpes simplex virus type 1, low-pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein B, MESO-ERYTHRITOL, ... | Authors: | Stampfer, S.D, Lou, H, Cohen, G.H, Eisenberg, R.J, Heldwein, E.E. | Deposit date: | 2010-07-09 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1. J.Virol., 84, 2010
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5UF4
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![BU of 5uf4 by Molmil](/molmil-images/mine/5uf4) | Crystal Structure of Variable Lymphocyte Receptor (VLR) O13 with LNnT bound | Descriptor: | O13, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Gunn, R.J, Collins, B.C, McKitrick, T.R, Cummings, R.D, Cooper, M.D, Herrin, B.R, Wilson, I.A. | Deposit date: | 2017-01-03 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural Insights into VLR Fine Specificity for Blood Group Carbohydrates. Structure, 25, 2017
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3O3H
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![BU of 3o3h by Molmil](/molmil-images/mine/3o3h) | T. maritima RNase H2 D107N in complex with nucleic acid substrate and manganese ions | Descriptor: | DNA (5'-D(*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*C)-3'), DNA/RNA (5'-D(*GP*AP*CP*AP*C)-R(P*C)-D(P*TP*GP*AP*TP*TP*C)-3'), MANGANESE (II) ION, ... | Authors: | Rychlik, M.P, Chon, H, Cerritelli, S.M, Klimek, P, Crouch, R.J, Nowotny, M. | Deposit date: | 2010-07-24 | Release date: | 2010-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structures of RNase H2 in Complex with Nucleic Acid Reveal the Mechanism of RNA-DNA Junction Recognition and Cleavage. Mol.Cell, 40, 2010
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3O5X
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![BU of 3o5x by Molmil](/molmil-images/mine/3o5x) | Crystal structure of the oncogenic tyrosine phosphatase SHP2 complexed with a salicylic acid-based small molecule inhibitor | Descriptor: | 3-{1-[3-(biphenyl-4-ylamino)-3-oxopropyl]-1H-1,2,3-triazol-4-yl}-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Zhang, Z.-Y, Zhang, X, He, Y, Liu, S, Yu, Z, Jiang, Z, Yang, Z, Dong, Y, Nabinger, S.C, Wu, L, Gunawan, A.M, Wang, L, Chan, R.J. | Deposit date: | 2010-07-28 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Salicylic acid based small molecule inhibitor for the oncogenic Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2). J.Med.Chem., 53, 2010
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