2HV7
 
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2IE3
 | | Structure of the Protein Phosphatase 2A Core Enzyme Bound to Tumor-inducing Toxins | | Descriptor: | MANGANESE (II) ION, Protein Phosphatase 2, regulatory subunit A (PR 65), ... | | Authors: | Xing, Y, Xu, Y, Chen, Y, Jeffrey, P.D, Chao, Y, Shi, Y. | | Deposit date: | 2006-09-17 | | Release date: | 2006-11-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of Protein Phosphatase 2A Core Enzyme Bound to Tumor-Inducing Toxins
Cell(Cambridge,Mass.), 127, 2006
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2IE4
 | | Structure of the Protein Phosphatase 2A Core Enzyme Bound to okadaic acid | | Descriptor: | MANGANESE (II) ION, OKADAIC ACID, Protein Phosphatase 2, ... | | Authors: | Xing, Y, Xu, Y, Chen, Y, Jeffrey, P.D, Chao, Y, Shi, Y. | | Deposit date: | 2006-09-17 | | Release date: | 2006-11-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of Protein Phosphatase 2A Core Enzyme Bound to Tumor-Inducing Toxins
Cell(Cambridge,Mass.), 127, 2006
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7E11
 | | Crystal structure of PKAc-PLN R9C complex | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PLN, ... | | Authors: | Qin, J, Lin, L, Yuchi, Z. | | Deposit date: | 2021-01-28 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.43 Å) | | Cite: | Structures of PKA-phospholamban complexes reveal a mechanism of familial dilated cardiomyopathy.
Elife, 11, 2022
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7E12
 | | Crystal structure of PKAc-A11E complex | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, THR-ARG-SER-GLU-ILE-ARG-ARG-ALA-SER-THR-ILE-GLU, ... | | Authors: | Qin, J, Lin, L, Yuchi, Z. | | Deposit date: | 2021-01-28 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.796 Å) | | Cite: | Structures of PKA-phospholamban complexes reveal a mechanism of familial dilated cardiomyopathy.
Elife, 11, 2022
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4RE1
 | | Crystal structure of human TEAD1 and disulfide-engineered YAP | | Descriptor: | CHLORIDE ION, Transcriptional enhancer factor TEF-1, Yorkie homolog | | Authors: | Xu, Z, Zhou, Z. | | Deposit date: | 2014-09-21 | | Release date: | 2014-11-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Targeting Hippo pathway by specific interruption of YAP-TEAD interaction using cyclic YAP-like peptides.
Faseb J., 29, 2015
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2P64
 | | D domain of b-TrCP | | Descriptor: | CADMIUM ION, F-box/WD repeat protein 1A | | Authors: | Neculai, D, Orlicky, S, Ceccarelli, D. | | Deposit date: | 2007-03-16 | | Release date: | 2007-06-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Suprafacial orientation of the SCFCdc4 dimer accommodates multiple geometries for substrate ubiquitination.
Cell(Cambridge,Mass.), 129, 2007
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2P63
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2Q1L
 | | Design and Synthesis of Pyrrole-based, Hepatoselective HMG-CoA Reductase Inhibitors | | Descriptor: | (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | Deposit date: | 2007-05-24 | | Release date: | 2007-07-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2Q6C
 | | Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors | | Descriptor: | (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | Deposit date: | 2007-06-04 | | Release date: | 2007-07-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2Q6B
 | | Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors | | Descriptor: | (3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | Deposit date: | 2007-06-04 | | Release date: | 2007-07-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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7E0Z
 | | Crystal structure of PKAc-PLN complex | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PLN, ... | | Authors: | Qin, J, Yuchi, Z. | | Deposit date: | 2021-01-28 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.162 Å) | | Cite: | Structures of PKA-phospholamban complexes reveal a mechanism of familial dilated cardiomyopathy.
Elife, 11, 2022
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2R4F
 | | Substituted Pyrazoles as Hepatselective HMG-COA reductase inhibitors | | Descriptor: | (3R,5R)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | Deposit date: | 2007-08-31 | | Release date: | 2008-04-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hypercholesterolemia.
J.Med.Chem., 51, 2008
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7F6L
 | | Crystal structure of human MUS81-EME2 complex | | Descriptor: | Crossover junction endonuclease MUS81, Probable crossover junction endonuclease EME2 | | Authors: | Hua, Z.K, Zhang, D.P, Yuan, C, Lin, Z.H. | | Deposit date: | 2021-06-25 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the human MUS81-EME2 complex.
Structure, 30, 2022
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3BGL
 | | Hepatoselectivity of Statins: Design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors | | Descriptor: | (3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-4-(morpholin-4-ylsulfonyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | | Authors: | Finzel, B.C, Pavlovsky, A, Park, W.K.C. | | Deposit date: | 2007-11-26 | | Release date: | 2008-01-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.225 Å) | | Cite: | Hepatoselectivity of statins: design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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1SZJ
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6UM8
 | | HIV Integrase in complex with Compound-14 | | Descriptor: | (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid, DI(HYDROXYETHYL)ETHER, Integrase, ... | | Authors: | Khan, J.A, Kish, K. | | Deposit date: | 2019-10-09 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Discovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase Inhibitors.
J.Med.Chem., 63, 2020
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5JJU
 | | Crystal structure of Rv2837c complexed with 5'-pApA and 5'-AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, RNA (5'-R(P*AP*A)-3'), ... | | Authors: | Wang, F, He, Q, Liu, S, Gu, L. | | Deposit date: | 2016-04-25 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.312 Å) | | Cite: | Structural and biochemical insight into the mechanism of Rv2837c from Mycobacterium tuberculosis as a c-di-NMP phosphodiesterase
J.Biol.Chem., 291, 2016
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7CGS
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7V2Z
 | | ZIKV NS3helicase in complex with ssRNA and ATP-Mn2+ | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Core protein, MANGANESE (II) ION, ... | | Authors: | Lin, M.M, Yang, H.T. | | Deposit date: | 2021-08-10 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.10101676 Å) | | Cite: | Structural Basis of Zika Virus Helicase in RNA Unwinding and ATP Hydrolysis.
Acs Infect Dis., 8, 2022
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8EW6
 | | Anti-human CD8 VHH complex with CD8 alpha | | Descriptor: | Anti-CD8 alpha VHH, T-cell surface glycoprotein CD8 alpha chain | | Authors: | Kiefer, J.R, Williams, S, Davies, C.W, Koerber, J.T, Sriraman, S.K, Yin, Y.P. | | Deposit date: | 2022-10-21 | | Release date: | 2022-11-23 | | Last modified: | 2023-02-01 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | Development of an 18 F-labeled anti-human CD8 VHH for same-day immunoPET imaging.
Eur J Nucl Med Mol Imaging, 50, 2023
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4O9B
 | | The Structure of CC1-IH in human STIM1. | | Descriptor: | CADMIUM ION, Stromal interaction molecule 1 | | Authors: | Cui, B, Yang, X, Li, S, Shen, Y. | | Deposit date: | 2014-01-02 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.604 Å) | | Cite: | The inhibitory helix controls the intramolecular conformational switching of the C-terminus of STIM1.
Plos One, 8, 2013
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4RFM
 | | ITK kinase domain in complex with compound 1 N-{1-[(1,1-dioxo-1-thian-2-yl)(phenyl)methyl]-1H- pyrazol-4-yl}-5,5-difluoro-5a-methyl-1H,4H,4aH,5H,5aH,6H-cyclopropa[f]indazole-3-carboxamide | | Descriptor: | (4aS,5aR)-N-{1-[(R)-[(2R)-1,1-dioxidotetrahydro-2H-thiopyran-2-yl](phenyl)methyl]-1H-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK | | Authors: | McEwan, P.A, Barker, J.J, Eigenbrot, C. | | Deposit date: | 2014-09-26 | | Release date: | 2015-04-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo.
J.Med.Chem., 58, 2015
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7SSM
 | | Crystal structure of human STING R232 in complex with compound 11 | | Descriptor: | 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid, Stimulator of interferon genes protein | | Authors: | Sack, J.S, Critton, D.A. | | Deposit date: | 2021-11-11 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization.
J.Med.Chem., 65, 2022
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4EHZ
 | | The Jak1 kinase domain in complex with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1 | | Authors: | Lupardus, P.J, Steffek, M. | | Deposit date: | 2012-04-04 | | Release date: | 2012-07-04 | | Last modified: | 2013-01-23 | | Method: | X-RAY DIFFRACTION (2.174 Å) | | Cite: | Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
J.Med.Chem., 55, 2012
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