7JHG
| Cryo-EM structure of ATP-bound fully inactive AMPK in complex with Dorsomorphin (Compound C) and Fab-nanobody | 分子名称: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | 著者 | Yan, Y, Murkherjee, S, Zhou, X.E, Xu, T.H, Xu, H.E, Kossiakoff, A.A, Melcher, K. | 登録日 | 2020-07-20 | 公開日 | 2021-07-21 | 最終更新日 | 2021-12-15 | 実験手法 | ELECTRON MICROSCOPY (3.47 Å) | 主引用文献 | Structure of an AMPK complex in an inactive, ATP-bound state. Science, 373, 2021
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7JHH
| Cryo-EM structure of ATP-bound fully inactive AMPK in complex with Fab and nanobody | 分子名称: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | 著者 | Yan, Y, Murkherjee, S, Zhou, X.E, Xu, T.H, Xu, H.E, Kossiakoff, A.A, Melcher, K. | 登録日 | 2020-07-20 | 公開日 | 2021-07-21 | 最終更新日 | 2021-12-15 | 実験手法 | ELECTRON MICROSCOPY (3.92 Å) | 主引用文献 | Structure of an AMPK complex in an inactive, ATP-bound state. Science, 373, 2021
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7JIJ
| ATP-bound AMP-activated protein kinase | 分子名称: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | 著者 | Yan, Y, Zhou, X.E, Powell, K, Xu, T, Brunzelle, J.S, Xu, H.X, Melcher, K. | 登録日 | 2020-07-23 | 公開日 | 2021-07-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (5.5 Å) | 主引用文献 | Structure of an AMPK complex in an inactive, ATP-bound state. Science, 373, 2021
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6H9U
| Crystal structure of the BiP NBD and MANF SAP complex | 分子名称: | D-MALATE, Endoplasmic reticulum chaperone BiP, Mesencephalic astrocyte-derived neurotrophic factor, ... | 著者 | Yan, Y, Ron, D. | 登録日 | 2018-08-06 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP. Nat Commun, 10, 2019
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6HAB
| Crystal structure of BiP V461F (apo) | 分子名称: | DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP | 著者 | Yan, Y, Ron, D. | 登録日 | 2018-08-07 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP. Nat Commun, 10, 2019
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6I3I
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6I3F
| Crystal structure of the complex of human angiotensinogen and renin at 2.55 Angstrom | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensinogen, ... | 著者 | Yan, Y, Read, R.J. | 登録日 | 2018-11-06 | 公開日 | 2018-12-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structural basis for the specificity of renin-mediated angiotensinogen cleavage. J. Biol. Chem., 294, 2019
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6HA7
| Crystal structure of the BiP NBD and MANF complex | 分子名称: | 1,2-ETHANEDIOL, Endoplasmic reticulum chaperone BiP, Mesencephalic astrocyte-derived neurotrophic factor | 著者 | Yan, Y, Ron, D. | 登録日 | 2018-08-07 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP. Nat Commun, 10, 2019
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7X53
| cytochrome P450 monooxygenase | 分子名称: | Cytochrome P450 family protein, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Yan, Y, Zheng, C. | 登録日 | 2022-03-03 | 公開日 | 2023-03-08 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | 主引用文献 | Structure of cytochrome P450 monooxygenase at 3.35 Angstroms resolution. To Be Published
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3C6U
| Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 22 | 分子名称: | 3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile, Reverse transcriptase | 著者 | Yan, Y, Prasad, S. | 登録日 | 2008-02-05 | 公開日 | 2008-04-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations. Bioorg.Med.Chem.Lett., 18, 2008
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2G1Q
| crystal structure of KSP in complex with inhibitor 9h | 分子名称: | (5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | 著者 | Yan, Y. | 登録日 | 2006-02-14 | 公開日 | 2006-10-03 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Kinesin spindle protein (KSP) inhibitors. Part 4: Structure-based design of 5-alkylamino-3,5-diaryl-4,5-dihydropyrazoles as potent, water-soluble inhibitors of the mitotic kinesin KSP. Bioorg.Med.Chem.Lett., 16, 2006
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2QHN
| Crystal Structure of Chek1 in Complex with Inhibitor 1a | 分子名称: | 5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE, Serine/threonine-protein kinase Chk1 | 著者 | Yan, Y, Munshi, S. | 登録日 | 2007-07-02 | 公開日 | 2008-03-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Optimization of a pyrazoloquinolinone class of Chk1 kinase inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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2R0U
| Crystal Structure of Chek1 in Complex with Inhibitor 54 | 分子名称: | 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one, Serine/threonine-protein kinase Chk1 | 著者 | Yan, Y, Ikuta, M. | 登録日 | 2007-08-21 | 公開日 | 2007-10-30 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Synthesis and evaluation of substituted benzoisoquinolinones as potent inhibitors of Chk1 kinase. Bioorg.Med.Chem.Lett., 17, 2007
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3TKH
| Crystal structure of Chk1 in complex with inhibitor S01 | 分子名称: | 1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone, SULFATE ION, Serine/threonine-protein kinase Chk1 | 著者 | Yan, Y, Ikuta, M. | 登録日 | 2011-08-26 | 公開日 | 2012-04-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Pyridyl aminothiazoles as potent inhibitors of Chk1 with slow dissociation rates. Bioorg.Med.Chem.Lett., 22, 2012
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3TKI
| Crystal structure of Chk1 in complex with inhibitor S25 | 分子名称: | N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | 著者 | Yan, Y, Ikuta, M. | 登録日 | 2011-08-26 | 公開日 | 2012-04-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Pyridyl aminothiazoles as potent inhibitors of Chk1 with slow dissociation rates. Bioorg.Med.Chem.Lett., 22, 2012
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6EOE
| Crystal structure of AMPylated GRP78 with nucleotide | 分子名称: | 78 kDa glucose-regulated protein, ADENOSINE-5'-DIPHOSPHATE, CITRATE ANION, ... | 著者 | Yan, Y, Preissler, S, Ron, D, Read, R.J. | 登録日 | 2017-10-09 | 公開日 | 2017-11-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation. Elife, 6, 2017
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6EOB
| Crystal structure of AMPylated GRP78 in apo form (Crystal form 1) | 分子名称: | 78 kDa glucose-regulated protein, PHOSPHATE ION | 著者 | Yan, Y, Preissler, S, Ron, D, Read, R.J. | 登録日 | 2017-10-09 | 公開日 | 2017-11-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation. Elife, 6, 2017
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6EOC
| Crystal structure of AMPylated GRP78 in apo form (Crystal form 2) | 分子名称: | 78 kDa glucose-regulated protein, CITRATE ANION, SULFATE ION | 著者 | Yan, Y, Preissler, S, Ron, D, Read, R.J. | 登録日 | 2017-10-09 | 公開日 | 2017-11-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation. Elife, 6, 2017
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6EOF
| Crystal structure of AMPylated GRP78 in ADP state | 分子名称: | 78 kDa glucose-regulated protein, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Yan, Y, Preissler, S, Read, R.J, Ron, D. | 登録日 | 2017-10-09 | 公開日 | 2017-11-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation. Elife, 6, 2017
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5O4P
| Crystal structure of AMPylated GRP78 | 分子名称: | 78 kDa glucose-regulated protein, ADENOSINE MONOPHOSPHATE, SULFATE ION | 著者 | Yan, Y, Chen, R, Ron, D, Read, R. | 登録日 | 2017-05-30 | 公開日 | 2017-11-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation. Elife, 6, 2017
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6SHC
| Crystal structure of human IRE1 luminal domain Q105C | 分子名称: | Serine/threonine-protein kinase/endoribonuclease IRE1 | 著者 | Yan, Y, Ron, D. | 登録日 | 2019-08-06 | 公開日 | 2020-01-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.55 Å) | 主引用文献 | Unstructured regions in IRE1 alpha specify BiP-mediated destabilisation of the luminal domain dimer and repression of the UPR. Elife, 8, 2019
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3DRR
| HIV reverse transcriptase Y181C mutant in complex with inhibitor R8e | 分子名称: | 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | 著者 | Yan, Y. | 登録日 | 2008-07-11 | 公開日 | 2008-10-14 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Discovery of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): A Potent, Orally Bioavailable HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor with Improved Potency against Key Mutant Viruses. J.Med.Chem., 51, 2008
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3DRS
| HIV reverse transcriptase K103N mutant in complex with inhibitor R8D | 分子名称: | 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile, Reverse transcriptase/ribonuclease H, p66 RT | 著者 | Yan, Y, Prasad, S. | 登録日 | 2008-07-11 | 公開日 | 2008-10-14 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Discovery of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): A Potent, Orally Bioavailable HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor with Improved Potency against Key Mutant Viruses. J.Med.Chem., 51, 2008
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3DRP
| HIV reverse transcriptase in complex with inhibitor R8e | 分子名称: | 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | 著者 | Yan, Y, Prasad, S. | 登録日 | 2008-07-11 | 公開日 | 2008-10-14 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): A Potent, Orally Bioavailable HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor with Improved Potency against Key Mutant Viruses. J.Med.Chem., 51, 2008
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6ZYI
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