2GBG
| rat DPP-IV with alkynyl cyanopyrrolidine #2 | Descriptor: | (1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE, Dipeptidyl peptidase 4, SULFATE ION | Authors: | Longenecker, K.L, Jakob, C.G, Fry, E.H, Wilk, S. | Deposit date: | 2006-03-10 | Release date: | 2006-07-04 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors. Biochemistry, 45, 2006
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1R9M
| Crystal Structure of Human Dipeptidyl Peptidase IV at 2.1 Ang. Resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase IV, ... | Authors: | Aertgeerts, K, Ye, S, Tennant, M.G, Collins, B, Rogers, J, Sang, B.C, Skene, R.J, Webb, D.R, Prasad, G.S. | Deposit date: | 2003-10-30 | Release date: | 2004-06-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human dipeptidyl peptidase IV in complex with a decapeptide reveals details on substrate specificity and tetrahedral intermediate formation. Protein Sci., 13, 2004
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2BMI
| METALLO-BETA-LACTAMASE | Descriptor: | PROTEIN (CLASS B BETA-LACTAMASE), SODIUM ION, ZINC ION | Authors: | Carfi, A, Duee, E, Dideberg, O. | Deposit date: | 1998-09-17 | Release date: | 1998-09-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure of the ZnII beta-lactamase from Bacteroides fragilis in an orthorhombic crystal form. Acta Crystallogr.,Sect.D, 54, 1998
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2BUB
| Crystal Structure Of Human Dipeptidyl Peptidase IV (CD26) in Complex with a Reversed Amide Inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIPEPTIDYL PEPTIDASE 4, N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE | Authors: | Nordhoff, S, Cerezo-Galvez, S, Feurer, A, Hill, O, Matassa, V.G, Metz, G, Rummey, C, Thiemann, M, Edwards, P.J. | Deposit date: | 2005-06-09 | Release date: | 2006-01-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors. Bioorg. Med. Chem. Lett., 16, 2006
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7BWL
| Structure of antibiotic sequester from Pseudomonas aerurinosa | Descriptor: | UPF0312 protein PA0423, Ubiquinone-8 | Authors: | Hong, M. | Deposit date: | 2020-04-14 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of the Pseudomonas aeruginosa PA0423 protein and its functional implication in antibiotic sequestration. Biochem.Biophys.Res.Commun., 528, 2020
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2BUA
| Crystal Structure Of Porcine Dipeptidyl Peptidase IV (Cd26) in Complex With a Low Molecular Weight Inhibitor. | Descriptor: | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nordhoff, S, Cerezo-Galvez, S, Feurer, A, Hill, O, Matassa, V.G, Metz, G, Rummey, C, Thiemann, M, Edwards, P.J. | Deposit date: | 2005-06-09 | Release date: | 2006-01-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors. Bioorg. Med. Chem. Lett., 16, 2006
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2FEM
| Mutant R188M of the Cytidine Monophosphate Kinase From E. Coli | Descriptor: | Cytidylate kinase | Authors: | Ofiteru, A, Bucurenci, N, Alexov, E, Bertrand, T, Briozzo, P, Munier-Lehmann, H, Tourneux, L, Barzu, O, Gilles, A.M. | Deposit date: | 2005-12-16 | Release date: | 2006-01-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and functional consequences of single amino acid substitutions in the pyrimidine base binding pocket of Escherichia coli CMP kinase. Febs J., 274, 2007
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3K3I
| p38alpha bound to novel DGF-out compound PF-00215955 | Descriptor: | (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | Authors: | Kazmirski, S.L, DiNitto, J.P. | Deposit date: | 2009-10-02 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay. Chem.Biol.Drug Des., 74, 2009
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3JVM
| Crystal structure of bromodomain 2 of mouse Brd4 | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Bromodomain-containing protein 4 | Authors: | Vollmuth, F, Blankenfeldt, W, Geyer, M. | Deposit date: | 2009-09-17 | Release date: | 2009-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structures of the Dual Bromodomains of the P-TEFb-activating Protein Brd4 at Atomic Resolution J.Biol.Chem., 284, 2009
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3K23
| Glucocorticoid Receptor with Bound D-prolinamide 11 | Descriptor: | 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide, Glucocorticoid receptor, Nuclear receptor coactivator 2 | Authors: | Biggadike, K.B, McLay, I.M, Madauss, K.P, Williams, S.P, Bledsoe, R.K. | Deposit date: | 2009-09-29 | Release date: | 2009-10-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor. Proc.Natl.Acad.Sci.USA, 106, 2009
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3K3J
| P38alpha bound to novel DFG-out compound PF-00416121 | Descriptor: | 2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | Authors: | Kazmirski, S.L, DiNitto, J.P. | Deposit date: | 2009-10-02 | Release date: | 2009-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | The Design, Synthesis and Potential Utility of Fluorescence Probes that Target DFG-out Conformation of p38alpha for High Throughput Screening Binding Assay. Chem.Biol.Drug Des., 74, 2009
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3K22
| Glucocorticoid Receptor with Bound alaninamide 10 with TIF2 peptide | Descriptor: | Glucocorticoid receptor, N-[(1R)-2-amino-1-methyl-2-oxoethyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1H-indazol-1-yl)benzamide, Transcriptional Intermediary Factor 2, ... | Authors: | Biggadike, K.B, McLay, I.M, Madauss, K.P, Williams, S.P, Bledsoe, R.K. | Deposit date: | 2009-09-29 | Release date: | 2010-08-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor. Proc.Natl.Acad.Sci.USA, 106, 2009
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1SBB
| T-CELL RECEPTOR BETA CHAIN COMPLEXED WITH SUPERANTIGEN SEB | Descriptor: | PROTEIN (14.3.D T CELL ANTIGEN RECEPTOR), PROTEIN (STAPHYLOCOCCAL ENTEROTOXIN B) | Authors: | Li, H, Mariuzza, R.A. | Deposit date: | 1999-02-22 | Release date: | 1999-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Three-dimensional structure of the complex between a T cell receptor beta chain and the superantigen staphylococcal enterotoxin B. Immunity, 9, 1998
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1R39
| THE STRUCTURE OF P38ALPHA | Descriptor: | Mitogen-activated protein kinase 14, SULFATE ION | Authors: | Patel, S.B, Cameron, P.M, Frantz-Wattley, B, O'Neill, E, Becker, J.W, Scapin, G. | Deposit date: | 2003-10-01 | Release date: | 2004-01-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Lattice stabilization and enhanced diffraction in human p38 alpha crystals by protein engineering. Biochim.Biophys.Acta, 1696, 2004
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2AGI
| The leupeptin-trypsin covalent complex at 1.14 A resolution | Descriptor: | CALCIUM ION, SULFATE ION, beta-trypsin, ... | Authors: | Radisky, E.S, Lee, J.M, Lu, C.J, Koshland Jr, D.E. | Deposit date: | 2005-07-26 | Release date: | 2006-05-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Insights into the serine protease mechanism from atomic resolution structures of trypsin reaction intermediates Proc.Natl.Acad.Sci.USA, 103, 2006
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2EU1
| Crystal structure of the chaperonin GroEL-E461K | Descriptor: | GROEL | Authors: | Cabo-Bilbao, A, Spinelli, S, Sot, B, Agirre, J, Mechaly, A.E, Muga, A, Guerin, D.M.A. | Deposit date: | 2005-10-28 | Release date: | 2006-08-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Crystal structure of the temperature-sensitive and allosteric-defective chaperonin GroEL(E461K). J.Struct.Biol., 155, 2006
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3MGU
| Structure of S. cerevisiae Tpa1 protein, a proline hydroxylase modifying ribosomal protein Rps23 | Descriptor: | FE (II) ION, PKHD-type hydroxylase TPA1 | Authors: | Henri, J, Rispal, D, Bayart, E, van Tilbeurgh, H, Seraphin, B, Graille, M. | Deposit date: | 2010-04-07 | Release date: | 2010-07-14 | Last modified: | 2018-01-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and functional insights into S. cerevisiae Tpa1, a putative prolyl hydroxylase influencing translation termination and transcription To be Published
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3KWJ
| Structure of human DPP-IV with (2S,3S,11bS)-3-(3-Fluoromethyl-phenyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ylamine | Descriptor: | (2S,3S,11bS)-3-[3-(fluoromethyl)phenyl]-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 soluble form | Authors: | Hennig, M, Stihle, M, Thoma, R. | Deposit date: | 2009-12-01 | Release date: | 2010-09-15 | Last modified: | 2020-09-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Aryl- and heteroaryl-substituted aminobenzo[a]quinolizines as dipeptidyl peptidase IV inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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1ZD4
| Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-hexanoic acid complex | Descriptor: | 6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | Deposit date: | 2005-04-14 | Release date: | 2006-03-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids Protein Sci., 15, 2006
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1SLT
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3L1C
| Kinesin-14 Protein Ncd, T436S Mutant | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein claret segregational | Authors: | Kull, F.J. | Deposit date: | 2009-12-11 | Release date: | 2010-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A kinesin motor in a force-producing conformation. Bmc Struct.Biol., 10, 2010
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1PO2
| POLIOVIRUS (TYPE 1, MAHONEY) IN COMPLEX WITH R77975, AN INHIBITOR OF VIRAL REPLICATION | Descriptor: | (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 1 MAHONEY | Authors: | Hiremath, C.N, Filman, D.J, Grant, R.A, Hogle, J.M. | Deposit date: | 1997-01-08 | Release date: | 1997-12-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Ligand-induced conformational changes in poliovirus-antiviral drug complexes. Acta Crystallogr.,Sect.D, 53, 1997
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2HBT
| Crystal structure of HIF prolyl hydroxylase EGLN-1 in complex with a biologically active inhibitor | Descriptor: | Egl nine homolog 1, FE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE | Authors: | Evdokimov, A.G, Walter, R.L, Mekel, M, Pokross, M.E, Kawamoto, R, Boyer, A. | Deposit date: | 2006-06-14 | Release date: | 2006-06-27 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of HIF prolyl hydroxylase in complex with a biologically active inhibitor To be Published
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1PXX
| CRYSTAL STRUCTURE OF DICLOFENAC BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2 | Descriptor: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kiefer, J.R, Rowlinson, S.W, Prusakiewicz, J.J, Pawlitz, J.L, Kozak, K.R, Kalgutkar, A.S, Stallings, W.C, Marnett, L.J, Kurumbail, R.G. | Deposit date: | 2003-07-07 | Release date: | 2003-09-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A Novel Mechanism of Cyclooxygenase-2 Inhibition Involving Interactions with Ser-530 and Tyr-385. J.Biol.Chem., 278, 2003
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2GBF
| rat dpp-IV with alkynyl cyanopyrrolidine #1 | Descriptor: | (1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE, Dipeptidyl peptidase 4 | Authors: | Longenecker, K.L, Jakob, C.G, Fry, E.H, Wilk, S. | Deposit date: | 2006-03-10 | Release date: | 2006-07-04 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors. Biochemistry, 45, 2006
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