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PDB: 349 件
6EJG
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BU of 6ejg by Molmil
CRYSTAL STRUCTURE OF HUMAN CD81 LARGE EXTRACELLULAR LOOP IN COMPLEX WITH SINGLE CHAIN FV FRAGMENT 4
分子名称: CD81 antigen, SINGLE CHAIN FV FRAGMENT
著者Harris, S.F, Wong, A, Kuglstatter, A.
登録日2017-09-21
公開日2018-05-30
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structure-Guided Combinatorial Engineering Facilitates Affinity and Specificity Optimization of Anti-CD81 Antibodies.
J. Mol. Biol., 430, 2018
6EK2
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BU of 6ek2 by Molmil
CRYSTAL STRUCTURE OF HUMAN CD81 LARGE EXTRACELLULAR LOOP IN COMPLEX WITH SINGLE CHAIN FV FRAGMENT 10
分子名称: CD81 antigen, SINGLE CHAIN FV FRAGMENT
著者Harris, S.F, Villasenor, A, Kuglstatter, A.
登録日2017-09-25
公開日2018-05-30
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure-Guided Combinatorial Engineering Facilitates Affinity and Specificity Optimization of Anti-CD81 Antibodies.
J. Mol. Biol., 430, 2018
4MIB
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Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with Compound 48 (N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide)
分子名称: DIMETHYL SULFOXIDE, N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide, RNA-DIRECTED RNA POLYMERASE
著者Harris, S.F, Villasenor, A.G.
登録日2013-08-30
公開日2014-05-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of N-[4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide (RG7109), a potent inhibitor of the hepatitis C virus NS5B polymerase.
J.Med.Chem., 57, 2014
4MIA
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Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with RG7109 (N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide)
分子名称: N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide, RNA-directed RNA polymerase, ZINC ION
著者Harris, S.F, Villasenor, A.G.
登録日2013-08-30
公開日2014-05-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of N-[4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide (RG7109), a potent inhibitor of the hepatitis C virus NS5B polymerase.
J.Med.Chem., 57, 2014
4MK7
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Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 2 (3-(3-tert-butyl-4-methoxyphenyl)pyridin-2(1H)-one)
分子名称: 3-(3-tert-butyl-4-methoxyphenyl)pyridin-2(1H)-one, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Harris, S.F, Wong, A.
登録日2013-09-04
公開日2013-10-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.
J.Med.Chem., 56, 2013
4MK8
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Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 4 (N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide, ...
著者Harris, S.F, Wong, A.
登録日2013-09-04
公開日2013-10-09
最終更新日2014-01-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.
J.Med.Chem., 56, 2013
4MKB
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BU of 4mkb by Molmil
Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 14 (N-(4-{(E)-2-[3-tert-butyl-2-methoxy-5-(3-oxo-2,3-dihydropyridazin-4-yl)phenyl]ethenyl}phenyl)methanesulfonamide)
分子名称: N-(4-{(E)-2-[3-tert-butyl-2-methoxy-5-(3-oxo-2,3-dihydropyridazin-4-yl)phenyl]ethenyl}phenyl)methanesulfonamide, RNA-DIRECTED RNA POLYMERASE
著者Harris, S.F, Wong, A.
登録日2013-09-04
公開日2013-10-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.
J.Med.Chem., 56, 2013
4MK9
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Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 12 (N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide)
分子名称: GLYCEROL, N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE
著者Harris, S.F, Wong, A.
登録日2013-09-04
公開日2013-10-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.
J.Med.Chem., 56, 2013
4MKA
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BU of 4mka by Molmil
Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 13 (N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, N-{3-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1-oxo-1H-isochromen-7-yl}methanesulfonamide, ...
著者Harris, S.F, Wong, A.
登録日2013-09-04
公開日2013-10-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.
J.Med.Chem., 56, 2013
8G4Y
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BU of 8g4y by Molmil
Structure of ZNRF3 ECD bound to peptide MK1-3.6.10
分子名称: E3 ubiquitin-protein ligase ZNRF3, MK1-3.6.10
著者Harris, S.F, Wu, P.
登録日2023-02-10
公開日2023-12-20
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Potent and selective binders of the E3 ubiquitin ligase ZNRF3 stimulate Wnt signaling and intestinal organoid growth.
Cell Chem Biol, 31, 2024
5W5Q
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BU of 5w5q by Molmil
MAP4K4 in complex with inhibitor compound 12 (N3-methyl-10-(3-methyl-3-(5-methyloxazol-2-yl)but-1-yn-1-yl)-6,7-dihydro-5H-5,7-methanobenzo[c]imidazo[1,2-a]azepine-2,3-dicarboxamide)
分子名称: (5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase kinase 4
著者Harris, S.F, Wu, P.
登録日2017-06-15
公開日2018-06-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).
Acs Med.Chem.Lett., 10, 2019
4ZK5
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BU of 4zk5 by Molmil
MAP4K4 in complex with inhibitor GNE-495
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-amino-N-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide, MAGNESIUM ION, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2015-04-29
公開日2015-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis.
Acs Med.Chem.Lett., 6, 2015
4U45
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BU of 4u45 by Molmil
MAP4K4 in complex with inhibitor (compound 25)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, MAGNESIUM ION, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2014-09-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4U43
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MAP4K4 in complex with inhibitor (compound 6)
分子名称: Mitogen-activated protein kinase kinase kinase kinase 4, N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2014-09-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4U44
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BU of 4u44 by Molmil
MAP4K4 in complex with inhibitor (compound 16)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2014-09-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4U3Y
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Apo Mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4)
分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase kinase 4
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2016-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U41
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MAP4K4 Bound to inhibitor compound 1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2016-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U3Z
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APO MAP4K4 T181E Phosphomimetic Mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase kinase kinase kinase 4, SODIUM ION
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2016-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U40
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Mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4) Bound to AMPPNP
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 4, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2016-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U42
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MAP4K4 T181E Mutant Bound to inhibitor compound 1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2016-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.504 Å)
主引用文献Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
5VO1
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DLK in complex with compound 10 (5-(1-isopropyl-5-(3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine)
分子名称: 5-{5-[(1R,5S,6r)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
著者HARRIS, S.F, YIN, J.
登録日2017-05-01
公開日2017-10-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.
J. Med. Chem., 60, 2017
6MYN
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BU of 6myn by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to inhibitor R7
分子名称: (5s,7s)-9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Harris, S.F, Smith, M, Barker, J.
登録日2018-11-01
公開日2019-08-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.744 Å)
主引用文献Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).
Acs Med.Chem.Lett., 10, 2019
4ZFF
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Dual-acting Fab 5A12 in complex with VEGF
分子名称: Fragment antigen binding (Fab) 5A12 Heavy chain, Fragment antigen binding (Fab) 5A12 Light chain, SULFATE ION, ...
著者Harris, S.F, Wu, P.
登録日2015-04-21
公開日2015-07-01
最終更新日2015-09-16
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Deep Sequencing-guided Design of a High Affinity Dual Specificity Antibody to Target Two Angiogenic Factors in Neovascular Age-related Macular Degeneration.
J.Biol.Chem., 290, 2015
4ZFG
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Dual-specificity Fab 5A12 in complex with Angiopoietin 2
分子名称: Angiopoietin-2, CALCIUM ION, Fragment antigen binding 5A12 heavy chain, ...
著者Harris, S.F, Wu, P.
登録日2015-04-21
公開日2015-07-01
最終更新日2015-09-16
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Deep Sequencing-guided Design of a High Affinity Dual Specificity Antibody to Target Two Angiogenic Factors in Neovascular Age-related Macular Degeneration.
J.Biol.Chem., 290, 2015
5VO2
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DLK in complex with inhibitor 5-(1-isopropyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine (compound 7)
分子名称: 5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
著者HARRIS, S.F, YIN, J.
登録日2017-05-01
公開日2017-10-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.
J. Med. Chem., 60, 2017

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