4RNY
 
 | | Structure of Helicobacter pylori Csd3 from the orthorhombic crystal | | Descriptor: | Conserved hypothetical secreted protein, GLYCEROL, SULFATE ION, ... | | Authors: | An, D.R, Kim, H.S, Kim, J, Im, H.N, Yoon, H.J, Yoon, J.Y, Jang, J.Y, Hesek, D, Lee, M, Mobashery, S, Kim, S.-J, Lee, B.I, Suh, S.W. | | Deposit date: | 2014-10-27 | | Release date: | 2015-03-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Csd3 from Helicobacter pylori, a cell shape-determining metallopeptidase.
Acta Crystallogr.,Sect.D, 71, 2015
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3P50
 | | Structure of propofol bound to a pentameric ligand-gated ion channel, GLIC | | Descriptor: | 2,6-BIS(1-METHYLETHYL)PHENOL, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Nury, H, Van Renterghem, C, Weng, Y, Tran, A, Baaden, M, Dufresne, V, Changeux, J.P, Sonner, J.M, Delarue, M, Corringer, P.J. | | Deposit date: | 2010-10-07 | | Release date: | 2011-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel
Nature, 469, 2011
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2FH0
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3P4W
 | | Structure of desflurane bound to a pentameric ligand-gated ion channel, GLIC | | Descriptor: | (2S)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Nury, H, Van Renterghem, C, Weng, Y, Tran, A, Baaden, M, Dufresne, V, Changeux, J.P, Sonner, J.M, Delarue, M, Corringer, P.J. | | Deposit date: | 2010-10-07 | | Release date: | 2011-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel
Nature, 469, 2011
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4MPE
 | | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS8 | | Descriptor: | 4-[(5-hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... | | Authors: | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T. | | Deposit date: | 2013-09-12 | | Release date: | 2014-01-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.953 Å) | | Cite: | Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
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4N19
 | | Structural basis of conformational transitions in the active site and 80 s loop in the FK506 binding protein FKBP12 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION | | Authors: | Mustafi, S.M, Brecher, M.B, Zhang, J, Li, H.M, Lemaster, D.M, Hernandez, G. | | Deposit date: | 2013-10-03 | | Release date: | 2014-02-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural basis of conformational transitions in the active site and 80's loop in the FK506-binding protein FKBP12.
Biochem.J., 458, 2014
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4MPC
 | | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS2 | | Descriptor: | 4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... | | Authors: | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T. | | Deposit date: | 2013-09-12 | | Release date: | 2014-01-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
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4ELK
 | | Crystal structure of the Hy19.3 type II NKT TCR | | Descriptor: | ACETATE ION, FORMIC ACID, Hy19.3 TCR alpha chain (mouse variable domain, ... | | Authors: | Girardi, E, Maricic, I, Wang, J, Mac, T.T, Iyer, P, Kumar, V, Zajonc, D.M. | | Deposit date: | 2012-04-10 | | Release date: | 2012-07-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Type II natural killer T cells use features of both innate-like and conventional T cells to recognize sulfatide self antigens.
Nat.Immunol., 13, 2012
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3TUD
 | | Crystal structure of SYK kinase domain with N-(4-methyl-3-(8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)phenyl)-3-(trifluoromethyl)benzamide | | Descriptor: | N-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide, Tyrosine-protein kinase SYK | | Authors: | Lovering, F, McDonald, J, Whitlock, G, Glossop, P, Phillips, C, Sabnis, Y, Ryan, M, Fitz, L, Lee, J, Chang, J.S, Han, S, Kurumbail, R, Thorarenson, A. | | Deposit date: | 2011-09-16 | | Release date: | 2012-08-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
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3CD4
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3CFU
 | | Crystal structure of the yjhA protein from Bacillus subtilis. Northeast Structural Genomics Consortium target SR562 | | Descriptor: | Uncharacterized lipoprotein yjhA | | Authors: | Vorobiev, S.M, Chen, Y, Kuzin, A.P, Seetharaman, J, Forouhar, F, Zhao, L, Mao, L, Maglaqui, M, Xiao, R, Liu, J, Swapna, G, Huang, J.Y, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-03-04 | | Release date: | 2008-03-18 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the yjhA protein from Bacillus subtilis.
To be Published
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1EET
 | | HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH THE INHIBITOR MSC204 | | Descriptor: | 1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-CYCLOPROPYL]-UREA, HIV-1 REVERSE TRANSCRIPTASE | | Authors: | Hogberg, M, Sahlberg, C, Engelhardt, P, Noreen, R, Kangasmetsa, J, Johansson, N.G, Oberg, B, Vrang, L, Zhang, H, Sahlberg, B.L, Unge, T, Lovgren, S, Fridborg, K, Backbro, K. | | Deposit date: | 2000-02-03 | | Release date: | 2001-02-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Urea-PETT compounds as a new class of HIV-1 reverse transcriptase inhibitors. 3. Synthesis and further structure-activity relationship studies of PETT analogues.
J.Med.Chem., 42, 1999
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3OK8
 | | I-BAR OF PinkBAR | | Descriptor: | Brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 2, GLYCEROL | | Authors: | Boczkowska, M, Rebowski, G, Saarikangas, J, Lappalainen, P, Dominguez, R. | | Deposit date: | 2010-08-24 | | Release date: | 2011-07-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Pinkbar is an epithelial-specific BAR domain protein that generates planar membrane structures.
Nat.Struct.Mol.Biol., 18, 2011
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4O33
 | | Crystal Structure of human PGK1 3PG and terazosin(TZN) ternary complex | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone | | Authors: | Li, X.L, Finci, L.I, Wang, J.H. | | Deposit date: | 2013-12-18 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Terazosin activates Pgk1 and Hsp90 to promote stress resistance.
Nat.Chem.Biol., 11, 2015
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3QK0
 | | Crystal structure of PI3K-gamma in complex with benzothiazole 82 | | Descriptor: | N-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2011-01-31 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.
J.Med.Chem., 54, 2011
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3TUC
 | | Crystal structure of SYK kinase domain with 1-benzyl-N-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide | | Descriptor: | 1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide, Tyrosine-protein kinase SYK | | Authors: | Lovering, F, McDonald, J, Whitlock, G, Glossop, P, Phillips, C, Sabnis, Y, Ryan, M, Fitz, L, Lee, J, Chang, J.S, Han, S, Kurumbail, R, Thorarenson, A. | | Deposit date: | 2011-09-16 | | Release date: | 2012-08-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
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2EX3
 | | Bacteriophage phi29 DNA polymerase bound to terminal protein | | Descriptor: | DNA polymerase, DNA terminal protein, LEAD (II) ION | | Authors: | Kamtekar, S, Berman, A.J, Wang, J, de Vega, M, Blanco, L, Salas, M, Steitz, T.A. | | Deposit date: | 2005-11-07 | | Release date: | 2006-03-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The phi29 DNA polymerase:protein-primer structure suggests a model for the initiation to elongation transition
Embo J., 25, 2006
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2MZX
 | | CCR5-ECL2 helical structure, residues Q186-T195 | | Descriptor: | C-C chemokine receptor type 5 | | Authors: | Abayev, M, Anglister, J. | | Deposit date: | 2015-02-26 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | An extended CCR5 ECL2 peptide forms a helix that binds HIV-1 gp120 through non-specific hydrophobic interactions.
Febs J., 282, 2015
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2QKH
 | | Crystal structure of the extracellular domain of human GIP receptor in complex with the hormone GIP | | Descriptor: | Cyclic 2,3-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-2,6-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-3-O-methyl-alpha-D-glucopyranose, D(-)-TARTARIC ACID, Glucose-dependent insulinotropic polypeptide, ... | | Authors: | Parthier, C, Kleinschmidt, M, Neumann, P, Rudolph, R, Manhart, S, Schlenzig, D, Fanghanel, J, Rahfeld, J.-U, Demuth, H.-U, Stubbs, M.T. | | Deposit date: | 2007-07-11 | | Release date: | 2007-08-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the incretin-bound extracellular domain of a G protein-coupled receptor
Proc.Natl.Acad.Sci.Usa, 104, 2007
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3UXM
 | | Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation | | Descriptor: | 5'-deoxy-5'-fluorothymidine, MAGNESIUM ION, Thymidylate kinase | | Authors: | Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R. | | Deposit date: | 2011-12-05 | | Release date: | 2012-02-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation.
J.Med.Chem., 55, 2012
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8V1H
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2IGH
 | | DETERMINATION OF THE SOLUTION STRUCTURES OF DOMAINS II AND III OF PROTEIN G FROM STREPTOCOCCUS BY 1H NMR | | Descriptor: | PROTEIN G | | Authors: | Lian, L.-Y, Derrick, J.P, Sutcliffe, M.J, Yang, J.C, Roberts, G.C.K. | | Deposit date: | 1992-08-26 | | Release date: | 1994-01-31 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Determination of the solution structures of domains II and III of protein G from Streptococcus by 1H nuclear magnetic resonance.
J.Mol.Biol., 228, 1992
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2IGG
 | | DETERMINATION OF THE SOLUTION STRUCTURES OF DOMAINS II AND III OF PROTEIN G FROM STREPTOCOCCUS BY 1H NMR | | Descriptor: | PROTEIN G | | Authors: | Lian, L.-Y, Derrick, J.P, Sutcliffe, M.J, Yang, J.C, Roberts, G.C.K. | | Deposit date: | 1992-08-26 | | Release date: | 1994-01-31 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Determination of the solution structures of domains II and III of protein G from Streptococcus by 1H nuclear magnetic resonance.
J.Mol.Biol., 228, 1992
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3QAR
 | | Crystal structure of PI3K-gamma in complex with triazine-benzimidazole 32 | | Descriptor: | 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)-1H-benzimidazol-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2011-01-11 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of triazine-benzimidazoles as selective inhibitors of mTOR.
Bioorg.Med.Chem.Lett., 21, 2011
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4DK5
 | | Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine inhibitor | | Descriptor: | 4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2012-02-03 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure-based design of a novel series of potent, selective inhibitors of the class I phosphatidylinositol 3-kinases.
J.Med.Chem., 55, 2012
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