6DCG
 
 | | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | | Descriptor: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | | Deposit date: | 2018-05-06 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
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4OCI
 | | Crystal Structure of Calcium Binding Protein-5 from Entamoeba histolytica and its involvement in initiation of phagocytosis of human erythrocytes | | Descriptor: | ACETATE ION, CALCIUM ION, Calmodulin, ... | | Authors: | Kumar, S, Manjasetty, A.B, Zaidi, R, Gourinath, S. | | Deposit date: | 2014-01-09 | | Release date: | 2014-12-24 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.009 Å) | | Cite: | Crystal Structure of Calcium Binding Protein-5 from Entamoeba histolytica and Its Involvement in Initiation of Phagocytosis of Human Erythrocytes.
Plos Pathog., 10, 2014
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4P1H
 | | Crystal structure of wild type Hypocrea jecorina Cel7a in a monoclinic crystal form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, Exoglucanase 1, ... | | Authors: | Bodenheimer, A.B, Cuneo, M.J, Swartz, P.D, Myles, D.A, Meilleur, F. | | Deposit date: | 2014-02-26 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of wild type Hypocrea jecorina Cel7a in a monoclinic crystal form
to be published
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6QYT
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A truncated analogue | | Descriptor: | DAL-LEU-SER-LEU-CYS-ALA | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-03-09 | | Release date: | 2019-09-11 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6QYW
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - nisin ring A | | Descriptor: | ILE-DBU-DAL-ILE-DHA-LEU-CYS-ALA | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-03-09 | | Release date: | 2019-09-11 | | Last modified: | 2019-10-02 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6QYS
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Nisin Ring B | | Descriptor: | DBB-PRO-GLY-CYS-LYS | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-03-09 | | Release date: | 2019-09-11 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6OPN
 | | CD4- and 17-bound HIV-1 Env B41 SOSIP in complex with small molecule GO35 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | | Deposit date: | 2019-04-25 | | Release date: | 2020-10-21 | | Last modified: | 2020-12-09 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | A Strain-Specific Inhibitor of Receptor-Bound HIV-1 Targets a Pocket near the Fusion Peptide.
Cell Rep, 33, 2020
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6QYV
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A (Ser2, Ala5, Ala8) analogue | | Descriptor: | PHE-SER-DAL-LEU-ALA-LEU-CYS-ALA | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-03-09 | | Release date: | 2019-09-11 | | Last modified: | 2019-10-02 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6QTF
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring B, major conformer | | Descriptor: | DCY-LEU-GLY-ALA-THR | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-02-25 | | Release date: | 2019-09-11 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6QYU
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A | | Descriptor: | PHE-DHA-DAL-LEU-DHA-LEU-CYS-ALA | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-03-09 | | Release date: | 2019-09-11 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6QYR
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring B, minor conformer | | Descriptor: | DAL-LEU-GLY-CYS-THR | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-03-09 | | Release date: | 2019-09-11 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6QM1
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Nisin Ring B (Lan8,11) analogue | | Descriptor: | DAL-PRO-GLY-CYS-LYS | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-02-01 | | Release date: | 2019-09-11 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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8PE2
 | | Crystal structure of Gel4 in complex with Nanobody 3 | | Descriptor: | 1,3-beta-glucanosyltransferase, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody 3, ... | | Authors: | Macias-Leon, J, Redrado-Hernandez, S, Castro-Lopez, J, Sanz, A.B, Arias, M, Farkas, V, Vincke, C, Muyldermans, S, Pardo, J, Arroyo, J, Galvez, E, Hurtado-Guerrero, R. | | Deposit date: | 2023-06-13 | | Release date: | 2024-06-19 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Broad Protection against Invasive Fungal Disease from a Nanobody Targeting the Active Site of Fungal beta-1,3-Glucanosyltransferases.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8PE1
 | | Crystal structure of Gel4 in complex with Nanobody 4 | | Descriptor: | 1,3-beta-glucanosyltransferase, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody 4, ... | | Authors: | Macias-Leon, J, Redrado-Hernandez, S, Castro-Lopez, J, Sanz, A.B, Arias, M, Farkas, V, Vincke, C, Muyldermans, S, Pardo, J, Arroyo, J, Galvez, E, Hurtado-Guerrero, R. | | Deposit date: | 2023-06-13 | | Release date: | 2024-06-19 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Broad Protection against Invasive Fungal Disease from a Nanobody Targeting the Active Site of Fungal beta-1,3-Glucanosyltransferases.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8TQ1
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4FDG
 | | Crystal Structure of an Archaeal MCM Filament | | Descriptor: | Minichromosome maintenance protein MCM, ZINC ION | | Authors: | Slaymaker, I.M, Fu, Y, Brewster, A.B, Chen, X.S. | | Deposit date: | 2012-05-28 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Mini-chromosome maintenance complexes form a filament to remodel DNA structure and topology.
Nucleic Acids Res., 41, 2013
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4ECB
 | | Chimeric GST Containing Inserts of Kininogen Peptides | | Descriptor: | chimeric protein between GSHKT10 and domain 5 of kininogen-1 | | Authors: | Amber, A.B, Sergei, M.M, Yi, P, Rita, R, Xiaoping, Q, Marianne, P.-C, William, C.M, Vivien, Y, Keith, R.M, Anton, A.K. | | Deposit date: | 2012-03-26 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Chimeric glutathione S-transferases containing inserts of kininogen peptides: potential novel protein therapeutics.
J.Biol.Chem., 287, 2012
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4ECC
 | | Chimeric GST Containing Inserts of Kininogen Peptides | | Descriptor: | chimeric protein between GSHKT10 and domain 5 of kininogen-1 | | Authors: | Amber, A.B, Sergei, M.M, Yi, P, Rita, R, Xiaoping, Q, Marianne, P.-C, William, C.M, Vivien, Y, Keith, R.M, Anton, A.K. | | Deposit date: | 2012-03-26 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Chimeric glutathione S-transferases containing inserts of kininogen peptides: potential novel protein therapeutics.
J.Biol.Chem., 287, 2012
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2KW6
 | | Solution NMR Structure of Cyclin-dependent kinase 2-associated protein 1 (CDK2-associated protein 1; oral cancer suppressor Deleted in oral cancer 1, DOC-1) from H.sapiens, Northeast Structural Genomics Consortium Target Target HR3057H | | Descriptor: | Cyclin-dependent kinase 2-associated protein 1 | | Authors: | Ertekin, A, Aramini, J.M, Rossi, P, Lee, A.B, Jiang, M, Ciccosanti, C.T, Xiao, R, Swapna, G.V.T, Rost, B, Everett, J.K, Acton, T.B, Prestegard, J.H, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-03-31 | | Release date: | 2010-05-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Human cyclin-dependent kinase 2-associated protein 1 (CDK2AP1) is dimeric in its disulfide-reduced state, with natively disordered N-terminal region.
J.Biol.Chem., 287, 2012
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2OSF
 | | Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study | | Descriptor: | 4-MERCAPTOBENZENE-1,3-DIOL, Carbonic anhydrase 2, S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate, ... | | Authors: | Albert, A.B, Caroli, G, Govindasamy, L, Agbandje-McKenna, M, McKenna, R, Tripp, B.C. | | Deposit date: | 2007-02-05 | | Release date: | 2008-05-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Inhibition of carbonic anhydrase II by thioxolone: a mechanistic and structural study.
Biochemistry, 47, 2008
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8UH4
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3GN4
 | | Myosin lever arm | | Descriptor: | CALCIUM ION, Calmodulin, MAGNESIUM ION, ... | | Authors: | Mukherjea, M, Llinas, P, Kim, H, Travaglia, M, Safer, D, Zong, A.B, Menetrey, J, Franzini-Armstrong, C, Selvin, P.R, Houdusse, A, Sweeney, H.L. | | Deposit date: | 2009-03-16 | | Release date: | 2009-09-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Myosin VI dimerization triggers an unfolding of a three-helix bundle in order to extend its reach
Mol.Cell, 35, 2009
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6OPO
 | | Symmetric model of CD4- and 17-bound B41 HIV-1 Env SOSIP in complex with DDM | | Descriptor: | 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | | Deposit date: | 2019-04-25 | | Release date: | 2020-10-21 | | Last modified: | 2020-12-09 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | A Strain-Specific Inhibitor of Receptor-Bound HIV-1 Targets a Pocket near the Fusion Peptide.
Cell Rep, 33, 2020
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6OPQ
 | | CD4- and 17-bound HIV-1 Env B41 SOSIP frozen with LMNG | | Descriptor: | 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | | Deposit date: | 2019-04-25 | | Release date: | 2020-10-21 | | Last modified: | 2020-12-09 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | A Strain-Specific Inhibitor of Receptor-Bound HIV-1 Targets a Pocket near the Fusion Peptide.
Cell Rep, 33, 2020
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1LV2
 | | Hepatocyte Nuclear Factor 4 is a Transcription Factor that Constitutively Binds Fatty Acids | | Descriptor: | Hepatocyte nuclear factor 4-gamma, PALMITIC ACID | | Authors: | Wisely, B, Miller, A.B, Davis, R.G, Spitzer, T, Shearer, B, Moore, J.T, Johnson, R, Sefler, A, Willson, T.M, Williams, S.P. | | Deposit date: | 2002-05-24 | | Release date: | 2002-12-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Hepatocyte Nuclear Factor 4 Is a Transcription Factor
that Constitutively Binds Fatty Acids.
Structure, 10, 2002
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