7NXV
| Crystal structure of the complex of DNase I/G-actin/PPP1R15A_582-621 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Yan, Y, Ron, D. | Deposit date: | 2021-03-19 | Release date: | 2021-09-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Higher-order phosphatase-substrate contacts terminate the integrated stress response. Nat.Struct.Mol.Biol., 28, 2021
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7NZM
| Cryo-EM structure of pre-dephosphorylation complex of phosphorylated eIF2alpha with trapped holophosphatase (PP1A_D64A/PPP1R15A/G-actin/DNase I) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Yan, Y, Hardwick, S, Ron, D. | Deposit date: | 2021-03-24 | Release date: | 2021-09-29 | Last modified: | 2021-10-20 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Higher-order phosphatase-substrate contacts terminate the integrated stress response. Nat.Struct.Mol.Biol., 28, 2021
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3C6U
| Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 22 | Descriptor: | 3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile, Reverse transcriptase | Authors: | Yan, Y, Prasad, S. | Deposit date: | 2008-02-05 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 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 | Descriptor: | (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, ... | Authors: | Yan, Y. | Deposit date: | 2006-02-14 | Release date: | 2006-10-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | 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 | Descriptor: | 5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE, Serine/threonine-protein kinase Chk1 | Authors: | Yan, Y, Munshi, S. | Deposit date: | 2007-07-02 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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 | Descriptor: | 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one, Serine/threonine-protein kinase Chk1 | Authors: | Yan, Y, Ikuta, M. | Deposit date: | 2007-08-21 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Yan, Y, Ikuta, M. | Deposit date: | 2011-08-26 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Yan, Y, Ikuta, M. | Deposit date: | 2011-08-26 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 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 | Descriptor: | 78 kDa glucose-regulated protein, ADENOSINE-5'-DIPHOSPHATE, CITRATE ANION, ... | Authors: | Yan, Y, Preissler, S, Ron, D, Read, R.J. | Deposit date: | 2017-10-09 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | 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) | Descriptor: | 78 kDa glucose-regulated protein, PHOSPHATE ION | Authors: | Yan, Y, Preissler, S, Ron, D, Read, R.J. | Deposit date: | 2017-10-09 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation. Elife, 6, 2017
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1FYG
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1FY7
| CRYSTAL STRUCTURE OF YEAST ESA1 HISTONE ACETYLTRANSFERASE DOMAIN COMPLEXED WITH COENZYME A | Descriptor: | COENZYME A, ESA1 HISTONE ACETYLTRANSFERASE, SODIUM ION | Authors: | Yan, Y, Barlev, N.A, Haley, R.H, Berger, S.L, Marmorstein, R. | Deposit date: | 2000-09-28 | Release date: | 2000-11-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of yeast Esa1 suggests a unified mechanism for catalysis and substrate binding by histone acetyltransferases. Mol.Cell, 6, 2000
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1GG4
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6EOC
| Crystal structure of AMPylated GRP78 in apo form (Crystal form 2) | Descriptor: | 78 kDa glucose-regulated protein, CITRATE ANION, SULFATE ION | Authors: | Yan, Y, Preissler, S, Ron, D, Read, R.J. | Deposit date: | 2017-10-09 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | 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 | Descriptor: | 78 kDa glucose-regulated protein, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Yan, Y, Preissler, S, Read, R.J, Ron, D. | Deposit date: | 2017-10-09 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation. Elife, 6, 2017
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1NS3
| STRUCTURE OF HCV PROTEASE (BK STRAIN) | Descriptor: | NS3 PROTEASE, NS4A PEPTIDE, ZINC ION | Authors: | Yan, Y, Munshi, S, Chen, Z. | Deposit date: | 1997-04-05 | Release date: | 1998-04-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Complex of NS3 protease and NS4A peptide of BK strain hepatitis C virus: a 2.2 A resolution structure in a hexagonal crystal form. Protein Sci., 7, 1998
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5M3X
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5O4P
| Crystal structure of AMPylated GRP78 | Descriptor: | 78 kDa glucose-regulated protein, ADENOSINE MONOPHOSPHATE, SULFATE ION | Authors: | Yan, Y, Chen, R, Ron, D, Read, R. | Deposit date: | 2017-05-30 | Release date: | 2017-11-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation. Elife, 6, 2017
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5M3Y
| Crystal structure of human glycosylated angiotensinogen | Descriptor: | Angiotensinogen, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yan, Y, Read, R.J. | Deposit date: | 2016-10-17 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the specificity of renin-mediated angiotensinogen cleavage. J. Biol. Chem., 294, 2019
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5MLG
| Crystal structure of rat prorenin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | Authors: | Yan, Y, Read, R. | Deposit date: | 2016-12-06 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of rat prorenin To Be Published
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5MKT
| Crystal structure of mouse prorenin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin-1 | Authors: | Yan, Y, Read, R. | Deposit date: | 2016-12-05 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of mouse prorenin To Be Published
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6SHC
| Crystal structure of human IRE1 luminal domain Q105C | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Yan, Y, Ron, D. | Deposit date: | 2019-08-06 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | 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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1JXP
| BK STRAIN HEPATITIS C VIRUS (HCV) NS3-NS4A | Descriptor: | NS3 SERINE PROTEASE, NS4A, ZINC ION | Authors: | Yan, Y, Munshi, S, Chen, Z. | Deposit date: | 1997-08-21 | Release date: | 1998-01-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Complex of NS3 protease and NS4A peptide of BK strain hepatitis C virus: a 2.2 A resolution structure in a hexagonal crystal form. Protein Sci., 7, 1998
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1Q0B
| Crystal structure of the motor protein KSP in complex with ADP and monastrol | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, Kinesin-like protein KIF11, ... | Authors: | Yan, Y, Sardana, V, Xu, B, Halczenko, W, Homnick, C, Buser, C.A, Hartman, G.D, Huber, H.E, Kuo, L.C. | Deposit date: | 2003-07-15 | Release date: | 2004-01-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibition of a mitotic motor protein: where, how, and conformational consequences J.Mol.Biol., 335, 2004
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3DRR
| HIV reverse transcriptase Y181C mutant in complex with inhibitor R8e | Descriptor: | 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Yan, Y. | Deposit date: | 2008-07-11 | Release date: | 2008-10-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | 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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