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2GC8
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BU of 2gc8 by Molmil
Structure of a Proline Sulfonamide Inhibitor Bound to HCV NS5b Polymerase
分子名称: 1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE, RNA-directed RNA polymerase
著者Gopalsamy, A, Chopra, R, Lim, K, Ciszewski, G, Shi, M, Curran, K.J, Sukits, S.F, Svenson, K, Bard, J, Ellingboe, J.W, Agarwal, A, Krishnamurthy, G, Howe, A.Y, Orlowski, M, Feld, B, O'connell, J, Mansour, T.S.
登録日2006-03-13
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Proline Sulfonamides as Potent and Selective Hepatitis C Virus NS5b Polymerase Inhibitors. Evidence for a New NS5b Polymerase Binding Site.
J.Med.Chem., 49, 2006
1NXK
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BU of 1nxk by Molmil
Crystal structure of staurosporine bound to MAP KAP kinase 2
分子名称: MAP kinase-activated protein kinase 2, STAUROSPORINE, SULFATE ION
著者Underwood, K.W, Parris, K.D, Federico, E, Mosyak, L, Czerwinski, R.M, Shane, T, Taylor, M, Svenson, K, Liu, Y, Hsiao, C.L, Wolfrom, S, Malakian, K, Telliez, J.B, Lin, L.L, Kriz, R.W, Seehra, J, Somers, W.S, Stahl, M.L.
登録日2003-02-10
公開日2003-10-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Catalytically active MAP KAP kinase 2 structures in complex with staurosporine and ADP reveal differences with the autoinhibited enzyme
Structure, 11, 2003
1NY3
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BU of 1ny3 by Molmil
Crystal structure of ADP bound to MAP KAP kinase 2
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAP kinase-activated protein kinase 2
著者Underwood, K.W, Parris, K.D, Federico, E, Mosyak, L, Shane, T, Taylor, M, Svenson, K, Liu, Y, Hsiao, C.L, Wolfrom, S, Maguire, M, Malakian, K, Telliez, J.B, Lin, L.L, Kriz, R.W, Seehra, J, Somers, W.S, Stahl, M.L.
登録日2003-02-11
公開日2003-10-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Catalytically active MAP KAP kinase 2 structures in complex with staurosporine and ADP reveal differences with the autoinhibited enzyme
Structure, 11, 2003
3IBE
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BU of 3ibe by Molmil
Crystal Structure of a Pyrazolopyrimidine Inhibitor Bound to PI3 Kinase Gamma
分子名称: 1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Bard, J, Svenson, K.
登録日2009-07-15
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.798 Å)
主引用文献ATP-Competitive Inhibitors of the Mammalian Target of Rapamycin: Design and Synthesis of Highly Potent and Selective Pyrazolopyrimidines.
J.Med.Chem., 52, 2009
3HFG
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BU of 3hfg by Molmil
Crystal Structure of Human 11-beta-hydroxysteroid-dehydrogenase Bound to an Sulfonyl-piperazine Inhibitor
分子名称: (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bard, J, Svenson, K.
登録日2009-05-11
公開日2009-09-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Efficacious 11beta-hydroxysteroid dehydrogenase type I inhibitors in the diet-induced obesity mouse model.
J.Med.Chem., 52, 2009
3H6K
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BU of 3h6k by Molmil
Crystal Structure of Human 11-beta-hydroxysteroid-dehydrogenase Bound to an Ortho-chlro-sulfonyl-piperazine Inhibitor
分子名称: 3-chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bard, J, Svenson, K.
登録日2009-04-23
公開日2009-12-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.187 Å)
主引用文献Efficacious 11beta-hydroxysteroid dehydrogenase type I inhibitors in the diet-induced obesity mouse model.
J.Med.Chem., 52, 2009
4HGK
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BU of 4hgk by Molmil
Shark IgNAR variable domain
分子名称: Serum albumin, shark V-NAR antibody
著者Olland, A.O, Kovalenko, O.V, Svenson, K, King, D.
登録日2012-10-08
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Atypical Antigen Recognition Mode of a Shark Immunoglobulin New Antigen Receptor (IgNAR) Variable Domain Characterized by Humanization and Structural Analysis.
J.Biol.Chem., 288, 2013
4J12
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BU of 4j12 by Molmil
monomeric Fc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, human Fc fragment
著者Ishino, T, Wang, M, Mosyak, L, Tam, A, Duan, W, Svenson, K, Joyce, A, O'Hara, D, Lin, L, Somers, W, Kriz, R.
登録日2013-01-31
公開日2013-05-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Engineering a Monomeric Fc Domain Modality by N-Glycosylation for the Half-life Extension of Biotherapeutics.
J.Biol.Chem., 288, 2013
4HGM
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BU of 4hgm by Molmil
Shark IgNAR Variable Domain
分子名称: 1,2-ETHANEDIOL, ACETYL GROUP, Serum albumin, ...
著者Olland, A, Kovalenko, O.V, King, D, Svenson, K.
登録日2012-10-08
公開日2013-05-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Atypical Antigen Recognition Mode of a Shark Immunoglobulin New Antigen Receptor (IgNAR) Variable Domain Characterized by Humanization and Structural Analysis.
J.Biol.Chem., 288, 2013
2Q85
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BU of 2q85 by Molmil
Crystal Structure of E. Coli Mur B bound to a Naphthyl Tetronic Acid inihibitor
分子名称: (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase
著者Chopra, R, Bard, J, Svenson, K, Mansour, T.
登録日2007-06-08
公開日2007-06-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Crystal Structure of E. Coli Mur B bound to a napthyl tetronic acid inhibitor
TO BE PUBLISHED
3BM9
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BU of 3bm9 by Molmil
Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90
分子名称: 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha
著者Gopalsamy, A, Shi, M, Vogan, E.M, Golas, J, Jacob, J, Johnson, J, Lee, F, Nilakantan, R, Peterson, R, Svenson, K, Tam, M.S, Wen, Y, Chopra, R, Ellingboe, J, Arndt, K, Boschelli, F.
登録日2007-12-12
公開日2008-07-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90.
J.Med.Chem., 51, 2008
3BMY
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BU of 3bmy by Molmil
Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90
分子名称: 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol, Heat shock protein HSP 90-alpha
著者Gopalsamy, A, Shi, M, Vogan, E.M, Golas, J, Jacob, J, Johnson, J, Lee, F, Nilakantan, R, Peterson, R, Svenson, K, Tam, M.S, Wen, Y, Chopra, R, Ellingboe, J, Arndt, K, Boschelli, F.
登録日2007-12-13
公開日2008-07-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90.
J.Med.Chem., 51, 2008
2QE5
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BU of 2qe5 by Molmil
Structure of HCV NS5B Bound to an Anthranilic Acid Inhibitor
分子名称: 2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID, RNA-directed RNA polymerase
著者Chopra, R, Svenson, K, Bard, J.
登録日2007-06-22
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of Anthranilic Acid Derivatives as a Novel Class of Allosteric Inhibitors of Hepatitis C NS5B Polymerase
J.Med.Chem., 50, 2007
2QE2
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BU of 2qe2 by Molmil
Structure of HCV NS5B Bound to an Anthranilic Acid Inhibitor
分子名称: 2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID, RNA-directed RNA polymerase
著者Chopra, R, Svenson, K, Bard, J.
登録日2007-06-22
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of Anthranilic Acid Derivatives as a Novel Class of Allosteric Inhibitors of Hepatitis C NS5B Polymerase
J.Med.Chem., 50, 2007
4K3V
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BU of 4k3v by Molmil
Structure of Staphylococcus aureus MntC
分子名称: ABC superfamily ATP binding cassette transporter, binding protein, MANGANESE (II) ION
著者Parris, K.D, Mosyak, L.
登録日2013-04-11
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Three-Dimensional Structure and Biophysical Characterization of Staphylococcus aureus Cell Surface Antigen-Manganese Transporter MntC.
J.Mol.Biol., 425, 2013
2RJQ
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BU of 2rjq by Molmil
Crystal structure of ADAMTS5 with inhibitor bound
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, ADAMTS-5, ...
著者Mosyak, L, Stahl, M, Somers, W.
登録日2007-10-15
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5.
Protein Sci., 17, 2008
2RJP
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Crystal structure of ADAMTS4 with inhibitor bound
分子名称: ADAMTS-4, CALCIUM ION, N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-4-yl}sulfonyl)-D-valine, ...
著者Mosyak, L, Stahl, M, Somers, W.
登録日2007-10-15
公開日2007-12-11
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5.
Protein Sci., 17, 2008
5FCS
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BU of 5fcs by Molmil
Diabody
分子名称: Diabody, SULFATE ION
著者Mosyak, L, Root, A.
登録日2015-12-15
公開日2016-12-14
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Development of PF-06671008, a Highly Potent Anti-P-cadherin/Anti-CD3 Bispecific DART Molecule with Extended Half-Life for the Treatment of Cancer.
Antibodies, 5, 2016
5F3H
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BU of 5f3h by Molmil
Structure of myostatin in complex with humanized RK35 antibody
分子名称: Growth/differentiation factor 8, humanized RK35 antibody heavy chain, humanized RK35 antibody light chain
著者Parris, K.D, Mosyak, L.
登録日2015-12-02
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody.
Mabs, 8, 2016
5F3B
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Structure of myostatin in complex with chimeric RK35 antibody
分子名称: GLYCEROL, Growth/differentiation factor 8, RK35 Chimeric antibody heavy chain, ...
著者Parris, K.D, Mosyak, L.
登録日2015-12-02
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody.
Mabs, 8, 2016
8GHP
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GUCY2C-ECD bound to anti-GUCY2C-scFv antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Guanylyl cyclase C, anti-GUCY2C-scFv antibody heavy chain, ...
著者Mosyak, L.
登録日2023-03-10
公開日2023-08-30
実験手法X-RAY DIFFRACTION (3.52 Å)
主引用文献Molecular insights into recognition of GUCY2C by T-cell engaging bispecific antibody anti-GUCY2CxCD3.
Sci Rep, 13, 2023
8GHO
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BU of 8gho by Molmil
GUCY2C-peptide bound to anti-GUCY2C-scFv antibody
分子名称: Guanylyl cyclase C peptide, anti-GUCY2C-scFv antibody heavy chain, anti-GUCY2C-scFv antibody light chain
著者Mosyak, L.
登録日2023-03-10
公開日2023-08-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular insights into recognition of GUCY2C by T-cell engaging bispecific antibody anti-GUCY2CxCD3.
Sci Rep, 13, 2023
3LJ3
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BU of 3lj3 by Molmil
PI3-kinase-gamma with a pyrrolopyridine-benzofuran inhibitor
分子名称: (2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Bard, J, Svenson, K.
登録日2010-01-25
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovery and optimization of 2-(4-substituted-pyrrolo[2,3-b]pyridin-3-yl)methylene-4-hydroxybenzofuran-3(2H)-ones as potent and selective ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR).
Bioorg.Med.Chem.Lett., 20, 2010
3MJW
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BU of 3mjw by Molmil
PI3 Kinase gamma with a benzofuranone inhibitor
分子名称: (2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Bard, J, Svenson, K.
登録日2010-04-13
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献5-Ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer.
Bioorg.Med.Chem.Lett., 20, 2010
3S7L
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Pyrazolyl and Thienyl Aminohydantoins as Potent BACE1 Inhibitors
分子名称: (5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Chopra, R, Olland, A, Svenson, K.
登録日2011-05-26
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.162 Å)
主引用文献New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2' region.
Bioorg.Med.Chem.Lett., 21, 2011

 

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