1SF8
 
 | | Crystal structure of the carboxy-terminal domain of htpG, the E. coli Hsp90 | | 分子名称: | CHLORIDE ION, Chaperone protein htpG, NICKEL (II) ION | | 著者 | Harris, S.F, Shiau, A.K, Agard, D.A. | | 登録日 | 2004-02-19 | | 公開日 | 2004-06-15 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The crystal structure of the carboxy-terminal dimerization domain of htpG, the Escherichia coli Hsp90, reveals a potential substrate binding site.
Structure, 12, 2004
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1QQH
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5W5Q
 | | 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
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4U44
 | | 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
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4U3Z
 | | 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
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4U43
 | | 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
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4U40
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4U42
 | | 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
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3M8P
 | | HIV-1 RT with NNRTI TMC-125 | | 分子名称: | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, Reverse transcriptase/ribonuclease H, p51 RT | | 著者 | Harris, S.F, Villasenor, A. | | 登録日 | 2010-03-18 | | 公開日 | 2010-05-19 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses.
Bioorg.Med.Chem.Lett., 20, 2010
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3M8Q
 | | HIV-1 RT with AMINOPYRIMIDINE NNRTI | | 分子名称: | 3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | | 著者 | Harris, S.F, Villasenor, A. | | 登録日 | 2010-03-18 | | 公開日 | 2010-05-19 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses.
Bioorg.Med.Chem.Lett., 20, 2010
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3MF5
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6MYN
 | | 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
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9C4M
 | | Crystal Structure of A. baumannii GuaB dCBS with inhibitor G6 (3826) | | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-[4-chloro-3-(morpholin-4-yl)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide | | 著者 | Harris, S.F, Wu, P. | | 登録日 | 2024-06-04 | | 公開日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Differential effects of inosine monophosphate dehydrogenase (IMPDH/GuaB) inhibition in Acinetobacter baumannii and Escherichia coli.
J.Bacteriol., 2024
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4U3Y
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4U41
 | | 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
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4U45
 | | 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
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8G4Y
 | | 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
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4OBQ
 | | MAP4K4 in complex with inhibitor (compound 31), N-[3-(4-AMINOQUINAZOLIN-6-YL)-5-FLUOROPHENYL]-2-(PYRROLIDIN-1-YL)ACETAMIDE | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 4, ... | | 著者 | Harris, S.F, Wu, P, Coons, M. | | 登録日 | 2014-01-07 | | 公開日 | 2014-04-23 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization.
J.Med.Chem., 57, 2014
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6VBN
 | | Crystal Structure of hTDO2 bound to inhibitor GNE1 | | 分子名称: | 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | | 著者 | Harris, S.F, Oh, A. | | 登録日 | 2019-12-19 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | | 主引用文献 | Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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6W4G
 | | Hepatitis C virus polymerase NS5B with RO inhibitor for SAR studies | | 分子名称: | 5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile, NS5B | | 著者 | Harris, S.F. | | 登録日 | 2020-03-10 | | 公開日 | 2020-11-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Identification of Noncompetitive Protein-Ligand Interactions for Structural Optimization.
J.Chem.Inf.Model., 60, 2020
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6O3I
 | | Crystal Structure of Human IDO1 bound to navoximod (NLG-919) | | 分子名称: | Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol | | 著者 | Harris, S.F, Oh, A. | | 登録日 | 2019-02-26 | | 公開日 | 2019-07-17 | | 最終更新日 | 2019-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Discovery of Clinical Candidate (1R,4r)-4-((R)-2-((S)-6-Fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl)cyclohexan-1-ol (Navoximod), a Potent and Selective Inhibitor of Indoleamine 2,3-Dioxygenase 1.
J.Med.Chem., 62, 2019
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2GFS
 | | P38 Kinase Crystal Structure in complex with RO3201195 | | 分子名称: | Mitogen-Activated Protein Kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | | 著者 | Harris, S.F, Bertrand, J, Villasenor, A. | | 登録日 | 2006-03-23 | | 公開日 | 2006-04-18 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.752 Å) | | 主引用文献 | Discovery of S-[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]-methanone (RO3201195), and Orally Bioavailable and Highly Selective Inhibitor of p38 Map Kinase
J.Med.Chem., 49, 2006
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2GIR
 | | Hepatitis C virus RNA-dependent RNA polymerase NS5B with NNI-1 inhibitor | | 分子名称: | 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, RNA-directed RNA polymerase | | 著者 | Harris, S.F. | | 登録日 | 2006-03-29 | | 公開日 | 2007-04-03 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Selection and characterization of replicon variants dually resistant to thumb- and palm-binding nonnucleoside polymerase inhibitors of the hepatitis C virus.
J.Virol., 80, 2006
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2GIQ
 | | Hepatitis C virus RNA-dependent RNA polymerase NS5B with NNI-2 inhibitor | | 分子名称: | 1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-ONE, RNA-directed RNA polymerase | | 著者 | Harris, S.F. | | 登録日 | 2006-03-29 | | 公開日 | 2007-04-03 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Selection and characterization of replicon variants dually resistant to thumb- and palm-binding nonnucleoside polymerase inhibitors of the hepatitis C virus.
J.Virol., 80, 2006
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2GQ0
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