2E5G
 
 | | Solution structure of RNA binding domain in RNA binding motif protein 21 | | Descriptor: | U6 snRNA-specific terminal uridylyltransferase 1 | | Authors: | Tsuda, K, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-12-21 | | Release date: | 2007-06-26 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of RNA binding domain in RNA binding motif protein 21
To be Published
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1ZLF
 | | Crystal structure of a complex of mutant HIV-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor | | Descriptor: | N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-glutaminyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | | Authors: | Skalova, T, Dohnalek, J, Duskova, J, Petrokova, H, Hasek, J. | | Deposit date: | 2005-05-06 | | Release date: | 2006-04-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | HIV-1 protease mutations and inhibitor modifications monitored on a series of complexes. Structural basis for the effect of the A71V mutation on the active site
J.Med.Chem., 49, 2006
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2EKX
 | | Solution structure of the human BMX SH2 domain | | Descriptor: | Cytoplasmic tyrosine-protein kinase BMX | | Authors: | Kasai, T, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-03-26 | | Release date: | 2007-10-02 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the human BMX SH2 domain
To be Published
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1HPS
 | | RATIONAL DESIGN, SYNTHESIS AND CRYSTALLOGRAPHIC ANALYSIS OF A HYDROXYETHYLENE-BASED HIV-1 PROTEASE INHIBITOR CONTAINING A HETEROCYCLIC P1'-P2' AMIDE BOND ISOSTERE | | Descriptor: | 2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-(2-METHYLPROPIONYL)IMIDAZOLE, HIV-1 PROTEASE | | Authors: | Abdel-Meguid, S, Zhao, B. | | Deposit date: | 1994-05-24 | | Release date: | 1994-08-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rational design, synthesis, and crystallographic analysis of a hydroxyethylene-based HIV-1 protease inhibitor containing a heterocyclic P1'--P2' amide bond isostere.
J.Med.Chem., 37, 1994
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1ZOG
 | | Crystal structure of protein kinase CK2 in complex with TBB-derivatives | | Descriptor: | 4,5,6,7-TETRABROMO-2-(METHYLSULFANYL)-1H-BENZIMIDAZOLE, PROTEIN KINASE CK2, alpha SUBUNIT | | Authors: | Battistutta, R, Mazzorana, M, Sarno, S, Kazimierczuk, Z, Zanotti, G, Pinna, L.A. | | Deposit date: | 2005-05-13 | | Release date: | 2005-11-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Inspecting the structure-activity relationship of protein kinase CK2 inhibitors derived from tetrabromo-benzimidazole.
Chem.Biol., 12, 2005
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3SW7
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1ZPA
 | | HIV Protease with Scripps AB-3 Inhibitor | | Descriptor: | Pol polyprotein, TERT-BUTYL 4-[({[1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL}AMINO)CARBONYL]BENZYLCARBAMATE | | Authors: | Brik, A, Alexandratos, J, Lin, Y.C, Elder, J.H, Olson, A.J, Wlodawer, A, Goodsell, D.S, Wong, C.H. | | Deposit date: | 2005-05-16 | | Release date: | 2005-05-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | 1,2,3-triazole as a peptide surrogate in the rapid synthesis of HIV-1 protease inhibitors
Chembiochem, 6, 2005
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1Z9Q
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1HRH
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2AVO
 | | Kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, AND G73S | | Descriptor: | ACETIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | | Deposit date: | 2005-08-30 | | Release date: | 2006-01-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S.
J.Mol.Biol., 354, 2005
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1HT3
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1HOM
 | | DETERMINATION OF THE THREE-DIMENSIONAL STRUCTURE OF THE ANTENNAPEDIA HOMEODOMAIN FROM DROSOPHILA IN SOLUTION BY 1H NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY | | Descriptor: | ANTENNAPEDIA PROTEIN | | Authors: | Qian, Y.-Q, Billeter, M, Otting, G, Muller, M, Gehring, W.J, Wuthrich, K. | | Deposit date: | 1991-10-08 | | Release date: | 1993-10-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Determination of the three-dimensional structure of the Antennapedia homeodomain from Drosophila in solution by 1H nuclear magnetic resonance spectroscopy.
J.Mol.Biol., 214, 1990
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1YWH
 | | crystal structure of urokinase plasminogen activator receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | | Authors: | Llinas, P, Le Du, M.H, Gardsvoll, H, Dano, K, Ploug, M, Gilquin, B, Stura, E.A, Menez, A. | | Deposit date: | 2005-02-18 | | Release date: | 2005-05-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the human urokinase plasminogen activator receptor bound to an antagonist peptide
EMBO J., 24, 2005
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3BGQ
 | | Human Pim-1 kinase in complex with an triazolo pyridazine inhibitor VX2 | | Descriptor: | N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Jacobs, M.D. | | Deposit date: | 2007-11-27 | | Release date: | 2007-12-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Docking study yields four novel inhibitors of the protooncogene pim-1 kinase.
J.Med.Chem., 51, 2008
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1HTF
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1YXQ
 | | Crystal structure of actin in complex with swinholide A | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Klenchin, V.A, King, R, Tanaka, J, Marriott, G, Rayment, I. | | Deposit date: | 2005-02-22 | | Release date: | 2005-05-17 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural basis of swinholide a binding to actin
Chem.Biol., 12, 2005
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1UHB
 | | Crystal structure of porcine alpha trypsin bound with auto catalyticaly produced native peptide at 2.15 A resolution | | Descriptor: | 9-mer peptide from Trypsin, ACETATE ION, CALCIUM ION, ... | | Authors: | Pattabhi, V, Syed Ibrahim, B, Shamaladevi, N. | | Deposit date: | 2003-06-27 | | Release date: | 2004-07-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Trypsin activity reduced by an autocatalytically produced nonapeptide.
J.Biomol.Struct.Dyn., 21, 2004
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2ALB
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1KVC
 | | E. COLI RIBONUCLEASE HI D134N MUTANT | | Descriptor: | RIBONUCLEASE H | | Authors: | Kashiwagi, T, Jeanteur, D, Haruki, M, Katayanagi, K, Kanaya, S, Morikawa, K. | | Deposit date: | 1996-10-04 | | Release date: | 1997-03-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Proposal for new catalytic roles for two invariant residues in Escherichia coli ribonuclease HI.
Protein Eng., 9, 1996
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3HEG
 | | P38 in complex with Sorafenib | | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Mitogen-activated protein kinase 14 | | Authors: | Namboodiri, H.V, Karpusas, M. | | Deposit date: | 2009-05-08 | | Release date: | 2009-11-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Analysis of imatinib and sorafenib binding to p38alpha compared with c-Abl and b-Raf provides structural insights for understanding the selectivity of inhibitors targeting the DFG-out form of protein kinases.
Biochemistry, 49, 2010
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2WQM
 | | Structure of apo human Nek7 | | Descriptor: | NICKEL (II) ION, SERINE/THREONINE-PROTEIN KINASE NEK7, SULFATE ION | | Authors: | Richards, M.W, Bayliss, R. | | Deposit date: | 2009-08-24 | | Release date: | 2009-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An Auto-Inhibitory Tyrosine Motif in the Cell-Cycle Regulated Nek7 Kinase is Released Through Binding of Nek9
Mol.Cell, 36, 2009
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3THB
 | | Structure of PLK1 kinase domain in complex with a benzolactam-derived inhibitor | | Descriptor: | 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thi one, Serine/threonine-protein kinase PLK1, ZINC ION | | Authors: | Sintchak, M.D. | | Deposit date: | 2011-08-18 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of a Potent and Orally Bioavailable Benzolactam-Derived Inhibitor of Polo-Like Kinase 1 (MLN0905).
J.Med.Chem., 55, 2012
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1KAX
 | | 70KD HEAT SHOCK COGNATE PROTEIN ATPASE DOMAIN, K71M MUTANT | | Descriptor: | 70KD HEAT SHOCK COGNATE PROTEIN, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | Authors: | O'Brien, M.C, Flaherty, K.M, Mckay, D.B. | | Deposit date: | 1996-04-15 | | Release date: | 1996-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Lysine 71 of the chaperone protein Hsc70 Is essential for ATP hydrolysis.
J.Biol.Chem., 271, 1996
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1KAZ
 | | 70KD HEAT SHOCK COGNATE PROTEIN ATPASE DOMAIN, K71E MUTANT | | Descriptor: | 70KD HEAT SHOCK COGNATE PROTEIN, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | Authors: | O'Brien, M.C, Flaherty, K.M, Mckay, D.B. | | Deposit date: | 1996-04-15 | | Release date: | 1996-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Lysine 71 of the chaperone protein Hsc70 Is essential for ATP hydrolysis.
J.Biol.Chem., 271, 1996
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2AZC
 | | HIV-1 Protease NL4-3 6X mutant | | Descriptor: | PROTEASE RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | | Authors: | Heaslet, H, Kutilek, V, Morris, G.M, Lin, Y.-C, Elder, J.H, Torbett, B.E, Stout, C.D. | | Deposit date: | 2005-09-10 | | Release date: | 2006-02-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural Insights into the Mechanisms of Drug Resistance in HIV-1 Protease NL4-3
J.Mol.Biol., 356, 2006
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