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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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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4LX4
 | | Crystal Structure Determination of Pseudomonas stutzeri endoglucanase Cel5A using a Twinned Data Set | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein | | Authors: | Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C. | | Deposit date: | 2013-07-29 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.556 Å) | | Cite: | Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes.
Acta Crystallogr D Struct Biol, 75, 2019
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5V7S
 | | Crystal structure of Influenza A virus matrix protein M1 (NLS-88E, pH 6.2) | | Descriptor: | Matrix protein 1, PHOSPHATE ION | | Authors: | Musayev, F.N, Safo, M.K, Althufairi, B, Desai, U.R, Xie, H, Mosier, P.D, Chiang, M.-J, Zhou, Q. | | Deposit date: | 2017-03-20 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Maintaining pH-dependent conformational flexibility of M1 is critical for efficient influenza A virus replication.
Emerg Microbes Infect, 6, 2017
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5V8A
 | | Crystal structure of Influenza A virus matrix protein M1 (NLS-88R, pH 7.3) | | Descriptor: | Matrix protein 1 | | Authors: | Musayev, F.N, Safo, M.K, Desai, U.R, Xie, H, Mosier, P.D, Zhou, Q, Chiang, M.-J, Kosikova, M. | | Deposit date: | 2017-03-21 | | Release date: | 2017-04-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Maintaining pH-dependent conformational flexibility of M1 is critical for efficient influenza A virus replication.
Emerg Microbes Infect, 6, 2017
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5V7B
 | | Crystal structure of Influenza A virus matrix protein M1 (NLS-88E) | | Descriptor: | Matrix protein 1 | | Authors: | Musayev, F.N, Safo, M.K, Desai, U.R, Xie, H, Mosier, P.D, Chiang, M.-J. | | Deposit date: | 2017-03-20 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Maintaining pH-dependent conformational flexibility of M1 is critical for efficient influenza A virus replication.
Emerg Microbes Infect, 6, 2017
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5V6G
 | | Crystal structure of Influenza A virus Matrix Protein M1(NLS-88R) | | Descriptor: | Matrix protein 1 | | Authors: | Musayev, F.N, Safo, M.K, Desai, U.R, Xie, H, Mosier, P.D, Chiang, M.-J. | | Deposit date: | 2017-03-16 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Maintaining pH-dependent conformational flexibility of M1 is critical for efficient influenza A virus replication.
Emerg Microbes Infect, 6, 2017
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3QWR
 | | Crystal structure of IL-23 in complex with an adnectin | | Descriptor: | ADNECTIN, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ... | | Authors: | Wei, A, Sheriff, S. | | Deposit date: | 2011-02-28 | | Release date: | 2012-02-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structures of adnectin/protein complexes reveal an expanded binding footprint.
Structure, 20, 2012
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3QWQ
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3T47
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3T48
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3T4A
 | | Structure of a truncated form of Staphylococcal Complement Inhibitor B bound to human C3c at 3.4 Angstrom resolution | | Descriptor: | Complement C3 beta chain, Complement C3c alpha' chain fragment 1, Complement C3c alpha' chain fragment 2, ... | | Authors: | Garcia, B.L, Geisbrecht, B.V, Summers, B.J. | | Deposit date: | 2011-07-25 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
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3T46
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3T49
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5VIF
 | | Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase | | Descriptor: | 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, CKII, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ... | | Authors: | Jiang, J, Li, B, Hu, C.-W, Worth, M, Fan, D, Li, H. | | Deposit date: | 2017-04-15 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase.
Nat. Chem. Biol., 13, 2017
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5VIE
 | | Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase | | Descriptor: | 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, 2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, CKII, ... | | Authors: | Jiang, J, Li, B, Hu, C.-W, Worth, M, Fan, D, Li, H. | | Deposit date: | 2017-04-15 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase.
Nat. Chem. Biol., 13, 2017
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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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4EI4
 | | JAK1 kinase (JH1 domain) in complex with compound 20 | | Descriptor: | (1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol, Tyrosine-protein kinase JAK1 | | Authors: | Eigenbrot, C, Steffek, M. | | Deposit date: | 2012-04-04 | | Release date: | 2012-07-04 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.22 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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4F08
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4F09
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4KNG
 | | Crystal structure of human LGR5-RSPO1-RNF43 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, E3 ubiquitin-protein ligase RNF43, Leucine-rich repeat-containing G-protein coupled receptor 5, ... | | Authors: | Chen, P.H, He, X. | | Deposit date: | 2013-05-09 | | Release date: | 2013-06-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structural basis of R-spondin recognition by LGR5 and RNF43.
Genes Dev., 27, 2013
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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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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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4KVN
 | | Crystal structure of Fab 39.29 in complex with Influenza Hemagglutinin A/Perth/16/2009 (H3N2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Fong, R, Swem, L.R, Lupardus, P.J. | | Deposit date: | 2013-05-22 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A Novel In vivo Human Plasmablast Enrichment Technique Allows Rapid Identification of Therapeutic Anti-Influenza A Antibodies
Cell Host Microbe, 14, 2013
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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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