4EX7
| Crystal structure of the alnumycin P phosphatase in complex with free phosphate | Descriptor: | AlnB, BORIC ACID, MAGNESIUM ION, ... | Authors: | Oja, T, Niiranen, L, Sandalova, T, Klika, K.D, Niemi, J, Mantsala, P, Schneider, G, Metsa-Ketela, M. | Deposit date: | 2012-04-30 | Release date: | 2013-01-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for C-ribosylation in the alnumycin A biosynthetic pathway. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4ENB
| Crystal structure of fluoride riboswitch, bound to Iridium | Descriptor: | FLUORIDE ION, Fluoride riboswitch, IRIDIUM HEXAMMINE ION, ... | Authors: | Ren, A.M, Rajashankar, K.R, Patel, D.J. | Deposit date: | 2012-04-12 | Release date: | 2012-05-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Fluoride ion encapsulation by Mg2+ ions and phosphates in a fluoride riboswitch. Nature, 486, 2012
|
|
4GVA
| |
4GUA
| Alphavirus P23pro-zbd | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Non-structural polyprotein, SULFATE ION, ... | Authors: | Shin, G, Yost, S, Miller, M, Marcotrigiano, J. | Deposit date: | 2012-08-29 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.854 Å) | Cite: | Structural and functional insights into alphavirus polyprotein processing and pathogenesis. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
3OC0
| Structure of human DPP-IV with HTS hit (2S,3S,11bS)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ylamine | Descriptor: | (2S,3R,11bR)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 | Authors: | Hennig, M, Stihle, M, Thoma, R. | Deposit date: | 2010-08-09 | Release date: | 2010-08-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of carmegliptin: A potent and long-acting dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. Bioorg.Med.Chem.Lett., 20, 2010
|
|
3NXN
| X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor | Descriptor: | N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease covalent dimer | Authors: | Torbeev, V.Y, Kent, S.B.H. | Deposit date: | 2010-07-14 | Release date: | 2011-11-02 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
3NYG
| |
3OEC
| |
3O96
| Crystal Structure of Human AKT1 with an Allosteric Inhibitor | Descriptor: | 1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one, RAC-alpha serine/threonine-protein kinase | Authors: | Voegtli, W.C, Wu, W.-I, Lord-Ondash, H.A, Dizon, F.P, Vigers, G.P.A, Brandhuber, B.J. | Deposit date: | 2010-08-03 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of human AKT1 with an allosteric inhibitor reveals a new mode of kinase inhibition. Plos One, 5, 2010
|
|
3OAX
| Crystal structure of bovine rhodopsin with beta-ionone | Descriptor: | (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one, (4E,6E)-hexadeca-1,4,6-triene, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Makino, C.L, Riley, C.K, Looney, J, Crouch, R.K, Okada, T. | Deposit date: | 2010-08-05 | Release date: | 2011-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Binding of more than one retinoid to visual opsins Biophys.J., 99, 2010
|
|
4H3Q
| Crystal structure of human ERK2 complexed with a MAPK docking peptide | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 2, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Gogl, G, Toeroe, I, Remenyi, A. | Deposit date: | 2012-09-14 | Release date: | 2013-02-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Protein-peptide complex crystallization: a case study on the ERK2 mitogen-activated protein kinase Acta Crystallogr.,Sect.D, 69, 2013
|
|
4GRX
| Structure of an omega-aminotransferase from Paracoccus denitrificans | Descriptor: | Aminotransferase, DELTA-AMINO VALERIC ACID, SODIUM ION | Authors: | Rausch, C, Lerchner, A, Schiefner, A, Skerra, A. | Deposit date: | 2012-08-27 | Release date: | 2012-12-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the omega-aminotransferase from Paracoccus denitrificans and its phylogenetic relationship with other class III aminotransferases that have biotechnological potential. Proteins, 81, 2013
|
|
4GT3
| |
4GU4
| |
4EY5
| Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-huperzine A | Descriptor: | 1,2-ETHANEDIOL, 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: | Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M. | Deposit date: | 2012-05-01 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3012 Å) | Cite: | Structures of human acetylcholinesterase in complex with pharmacologically important ligands. J.Med.Chem., 55, 2012
|
|
4EB6
| Tubulin-Vinblastine: Stathmin-like complex | Descriptor: | (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Ranaivoson, F.M, Gigant, B, Knossow, M. | Deposit date: | 2012-03-23 | Release date: | 2012-08-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.47 Å) | Cite: | Structural plasticity of tubulin assembly probed by vinca-domain ligands. Acta Crystallogr.,Sect.D, 68, 2012
|
|
4EJN
| Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide | Descriptor: | 1,2-ETHANEDIOL, 2-BUTANOL, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, ... | Authors: | Eathiraj, S. | Deposit date: | 2012-04-06 | Release date: | 2012-05-23 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors. J.Med.Chem., 55, 2012
|
|
3P3O
| Crystal Structure of the Cytochrome P450 Monooxygenase AurH (ntermII) from Streptomyces Thioluteus | Descriptor: | CHLORIDE ION, Cytochrome P450, GLYCEROL, ... | Authors: | Zocher, G, Richter, M.E.A, Mueller, U, Hertweck, C. | Deposit date: | 2010-10-05 | Release date: | 2011-02-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural fine-tuning of a multifunctional cytochrome p450 monooxygenase. J.Am.Chem.Soc., 133, 2011
|
|
4H3I
| Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile | Descriptor: | 3-{5-[(2E,4aR,7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Strickland, C, Mandal, M. | Deposit date: | 2012-09-13 | Release date: | 2012-11-07 | Last modified: | 2012-11-21 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
|
|
3OQG
| Restriction endonuclease HPY188I in complex with substrate DNA | Descriptor: | CHLORIDE ION, DNA 5'-D(*GP*AP*TP*CP*TP*GP*AP*AP*C)-3', DNA 5'-D(*GP*TP*TP*CP*AP*GP*AP*TP*C)-3', ... | Authors: | Sokolowska, M, Czapinska, H, Bochtler, M. | Deposit date: | 2010-09-03 | Release date: | 2010-10-20 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Hpy188I-DNA pre- and post-cleavage complexes--snapshots of the GIY-YIG nuclease mediated catalysis. Nucleic Acids Res., 39, 2011
|
|
3OT3
| X-ray crystal structure of compound 22k bound to human Chk1 kinase domain | Descriptor: | 5-[(1R,3S)-3-aminocyclohexyl]-6-bromo-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine, Serine/threonine-protein kinase Chk1 | Authors: | Fischmann, T.O. | Deposit date: | 2010-09-10 | Release date: | 2010-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach-Part 2. Bioorg.Med.Chem.Lett., 21, 2011
|
|
4HAF
| Crystal structure of fc-fragment of human IgG2 antibody (primitive crystal form) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-2 chain C region | Authors: | Teplyakov, A, Malia, T, Obmolova, G, Zhao, Y, Gilliland, G. | Deposit date: | 2012-09-26 | Release date: | 2013-06-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | IgG2 Fc structure and the dynamic features of the IgG CH2-CH3 interface. Mol.Immunol., 56, 2013
|
|
3RPB
| THE C2B-DOMAIN OF RABPHILIN: STRUCTURAL VARIATIONS IN A JANUS-FACED DOMAIN | Descriptor: | RABPHILIN 3-A | Authors: | Ubach, J, Garcia, J, Nittler, M.P, Sudhof, T.C, Rizo, J. | Deposit date: | 1999-04-19 | Release date: | 1999-12-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the Janus-faced C2B domain of rabphilin. Nat.Cell Biol., 1, 1999
|
|
4FFP
| PylC in complex with L-lysine-Ne-D-ornithine (cocrystallized with L-lysine and D-ornithine) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~6~-D-ornithyl-L-lysine, ... | Authors: | Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M. | Deposit date: | 2012-06-01 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution. J.Mol.Biol., 424, 2012
|
|
4F6R
| Tubulin:Stathmin-like domain complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Designed ankyrin repeat protein (DARPIN) D2, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Gigant, B, Mignot, I, Knossow, M. | Deposit date: | 2012-05-15 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Design and characterization of modular scaffolds for tubulin assembly. J.Biol.Chem., 287, 2012
|
|