2FEO
| Mutant R188M of The Cytidine Monophosphate Kinase from E. coli complexed with dCMP | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Cytidylate kinase, SULFATE ION | 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 (2.8 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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1ZZL
| Crystal structure of P38 with triazolopyridine | Descriptor: | 6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL-5-YL]-3-ISOPROPYL[1,2,4]TRIAZOLO[4,3-A]PYRIDINE, Mitogen-activated protein kinase 14 | Authors: | McClure, K.F, Han, S. | Deposit date: | 2005-06-14 | Release date: | 2005-09-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Theoretical and Experimental Design of Atypical Kinase Inhibitors: Application to p38 MAP Kinase. J.Med.Chem., 48, 2005
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3K2O
| Structure of an oxygenase | Descriptor: | ACETATE ION, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, CHLORIDE ION, ... | Authors: | Krojer, T, McDonough, M.A, Clifton, I.J, Mantri, M, Ng, S.S, Pike, A.C.W, Butler, D.S, Webby, C.J, Kochan, G, Bhatia, C, Bray, J.E, Chaikuad, A, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Schofield, C.J, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-30 | Release date: | 2009-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of the 2-Oxoglutarate- and Fe(II)-Dependent Lysyl Hydroxylase JMJD6. J.Mol.Biol., 401, 2010
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3J7G
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1POZ
| SOLUTION STRUCTURE OF THE HYALURONAN BINDING DOMAIN OF HUMAN CD44 | Descriptor: | CD44 antigen | Authors: | Teriete, P, Banerji, S, Blundell, C.D, Kahmann, J.D, Pickford, A.R, Wright, A.J, Campbell, I.D, Jackson, D.G, Day, A.J. | Deposit date: | 2003-06-16 | Release date: | 2004-03-16 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Structure of the Regulatory Hyaluronan Binding Domain in the Inflammatory Leukocyte Homing Receptor CD44. Mol.Cell, 13, 2004
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2FSM
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2FST
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2BGN
| HIV-1 Tat protein derived N-terminal nonapeptide Trp2-Tat(1-9) bound to the active site of Dipeptidyl peptidase IV (CD26) | 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)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Weihofen, W.A, Liu, J, Reutter, W, Saenger, W, Fan, H. | Deposit date: | 2005-01-03 | Release date: | 2005-01-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Crystal Structures of HIV-1 Tat-Derived Nonapeptides Tat-(1-9) and Trp2-Tat-(1-9) Bound to the Active Site of Dipeptidyl-Peptidase Iv (Cd26) J.Biol.Chem., 280, 2005
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1PL6
| Human SDH/NADH/inhibitor complex | Descriptor: | 4-[2-(HYDROXYMETHYL)PYRIMIDIN-4-YL]-N,N-DIMETHYLPIPERAZINE-1-SULFONAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sorbitol dehydrogenase, ... | Authors: | Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L. | Deposit date: | 2003-06-07 | Release date: | 2004-02-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase. Structure, 11, 2003
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1PO1
| POLIOVIRUS (TYPE 1, MAHONEY) IN COMPLEX WITH R80633, AN INHIBITOR OF VIRAL REPLICATION | Descriptor: | (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)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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2A7U
| NMR solution structure of the E.coli F-ATPase delta subunit N-terminal domain in complex with alpha subunit N-terminal 22 residues | Descriptor: | ATP synthase alpha chain, ATP synthase delta chain | Authors: | Wilkens, S, Borchardt, D, Weber, J, Senior, A.E. | Deposit date: | 2005-07-06 | Release date: | 2005-10-11 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural Characterization of the Interaction of the delta and alpha Subunits of the Escherichia coli F(1)F(0)-ATP Synthase by NMR Spectroscopy Biochemistry, 44, 2005
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3MQE
| Structure of SC-75416 bound at the COX-2 active site | Descriptor: | (2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic 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: | Wang, J.L, Limburg, D, Graneto, M.J, Springer, J, Rogier, J, Kiefer, J.R. | Deposit date: | 2010-04-28 | Release date: | 2010-10-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life. Bioorg.Med.Chem.Lett., 20, 2010
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2FSO
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2FSL
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2FZS
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2BL2
| The membrane rotor of the V-type ATPase from Enterococcus hirae | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, SODIUM ION, UNDECYL-MALTOSIDE, ... | Authors: | Murata, T, Yamato, I, Kakinuma, Y, Leslie, A.G.W, Walker, J.E. | Deposit date: | 2005-02-25 | Release date: | 2005-04-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the Rotor of the Vacuolar-Type Na- ATPase from Enterococcus Hirae Science, 308, 2005
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1Q4G
| 2.0 Angstrom Crystal Structure of Ovine Prostaglandin H2 Synthase-1, in complex with alpha-methyl-4-biphenylacetic acid | Descriptor: | 2-(1,1'-BIPHENYL-4-YL)PROPANOIC ACID, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Gupta, K, Selinksy, B.S, Kaub, C.J, Katz, A.K, Loll, P.J. | Deposit date: | 2003-08-03 | Release date: | 2004-01-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The 2.0A Resolution Crystal Structure of Prostaglandin H(2) Synthase-1: Structural Insights into an Unusual Peroxidase J.Mol.Biol., 335, 2004
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1S01
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3JQO
| Crystal structure of the outer membrane complex of a type IV secretion system | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, LAURYL DIMETHYLAMINE-N-OXIDE, TraF protein, ... | Authors: | Chandran, V, Fronzes, R, Duquerroy, S, Cronin, N, Navaza, J, Waksman, G. | Deposit date: | 2009-09-07 | Release date: | 2009-12-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the outer membrane complex of a type IV secretion system Nature, 462, 2009
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3JYH
| Human dipeptidyl peptidase DPP7 | 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 2, ... | Authors: | Dobrovetsky, E, Dong, A, Seitova, A, Crombett, L, Paganon, S, Cossar, D, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Hassel, A, Shewchuk, L, Bochkarev, A, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-21 | Release date: | 2009-10-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Human dipeptidyl peptidase DPP7 To be Published
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2GHM
| Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-895449 | Descriptor: | 3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA, Mitogen-activated protein kinase 14 | Authors: | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Maier, J.A. | Deposit date: | 2006-03-27 | Release date: | 2006-05-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1. Bioorg.Med.Chem.Lett., 16, 2006
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2BP4
| Zinc-binding domain of Alzheimer's disease amyloid beta-peptide in TFE-water (80-20) solution | Descriptor: | AMYLOID BETA A4 PROTEIN | Authors: | Zirah, S, Kozin, S.A, Mazur, A.K, Blond, A, Cheminant, M, Segalas-Milazzo, I, Debey, P, Rebuffat, S. | Deposit date: | 2005-04-18 | Release date: | 2005-04-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Changes of Region 1-16 of the Alzheimer Disease Amyloid Beta-Peptide Upon Zinc Binding and in Vitro Aging. J.Biol.Chem., 281, 2006
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7BPI
| The crystal structue of PDE10A complexed with 14 | Descriptor: | 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ... | Authors: | Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B. | Deposit date: | 2020-03-22 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4000864 Å) | Cite: | Discovery of highly selective and orally available benzimidazole-based phosphodiesterase 10 inhibitors with improved solubility and pharmacokinetic properties for treatment of pulmonary arterial hypertension. Acta Pharm Sin B, 10, 2020
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2GFS
| P38 Kinase Crystal Structure in complex with RO3201195 | Descriptor: | Mitogen-Activated Protein Kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | Authors: | Harris, S.F, Bertrand, J, Villasenor, A. | Deposit date: | 2006-03-23 | Release date: | 2006-04-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Discovery of S-[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]-methanone (RO3201195), and Orally Bioavailable and Highly Selective Inhibitor of p38 Map Kinase J.Med.Chem., 49, 2006
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1ZD5
| Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-heptanoic acid complex | Descriptor: | 7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC 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 (2.6 Å) | Cite: | Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids Protein Sci., 15, 2006
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