2QUM
| Crystal structure of D-tagatose 3-epimerase from Pseudomonas cichorii with D-tagatose | Descriptor: | D-tagatose, D-tagatose 3-epimerase, MANGANESE (II) ION | Authors: | Yoshida, H, Yamada, M, Nishitani, T, Takada, G, Izumori, K, Kamitori, S. | Deposit date: | 2007-08-06 | Release date: | 2007-12-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Crystal structures of D-tagatose 3-epimerase from Pseudomonas cichorii and its complexes with D-tagatose and D-fructose J.Mol.Biol., 374, 2007
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1Q0Q
| Crystal structure of DXR in complex with the substrate 1-deoxy-D-xylulose-5-phosphate | Descriptor: | 1-DEOXY-D-XYLULOSE-5-PHOSPHATE, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C. | Deposit date: | 2003-07-17 | Release date: | 2004-07-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation. J.Mol.Biol., 345, 2005
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335D
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4ORR
| Threedimensional structure of the C65A mutant of Human lipocalin-type Prostaglandin D Synthase olo-form | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Prostaglandin-H2 D-isomerase, SULFATE ION | Authors: | Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. | Deposit date: | 2014-02-12 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase. Acta Crystallogr.,Sect.D, 70, 2014
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4FCP
| Targetting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo [2,3-d] pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | Descriptor: | Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine | Authors: | Davies, N.G.M, Browne, H, Davies, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | Deposit date: | 2012-05-25 | Release date: | 2012-10-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorg.Med.Chem., 20, 2012
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4FHI
| Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition | Descriptor: | N-hydroxy-2-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide, SRC-1, Vitamin Nuclear Receptor | Authors: | Fischer, J, Wang, T.T, Kaldre, D, Rochel, N, Moras, D, White, J.H, Gleason, J.L. | Deposit date: | 2012-06-06 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthetically accessible non-secosteroidal hybrid molecules combining vitamin d receptor agonism and histone deacetylase inhibition. Chem.Biol., 19, 2012
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1IE9
| Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to MC1288 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, VITAMIN D3 RECEPTOR | Authors: | Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Mitschler, A, Moras, D. | Deposit date: | 2001-04-09 | Release date: | 2001-05-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structures of the vitamin D receptor complexed to superagonist 20-epi ligands. Proc.Natl.Acad.Sci.USA, 98, 2001
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4KT7
| The crystal structure of 4-diphosphocytidyl-2C-methyl-D-erythritolsynthase from Anaerococcus prevotii DSM 20548 | Descriptor: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, CHLORIDE ION, SODIUM ION | Authors: | Borek, D, Tan, K, Stols, L, Eschenfeidt, W.H, Otwinoski, Z, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-05-20 | Release date: | 2013-06-05 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | The crystal structure of 4-diphosphocytidyl-2C-methyl-D-erythritolsynthase from Anaerococcus prevotii DSM 20548 To be Published
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2QUN
| Crystal Structure of D-tagatose 3-epimerase from Pseudomonas cichorii in Complex with D-fructose | Descriptor: | D-fructose, D-tagatose 3-epimerase, MANGANESE (II) ION | Authors: | Yoshida, H, Yamada, M, Nishitani, T, Takada, G, Izumori, K, Kamitori, S. | Deposit date: | 2007-08-06 | Release date: | 2007-12-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Crystal structures of D-tagatose 3-epimerase from Pseudomonas cichorii and its complexes with D-tagatose and D-fructose J.Mol.Biol., 374, 2007
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1DVL
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1DSU
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2BQP
| THE STRUCTURE OF THE PEA LECTIN-D-GLUCOPYRANOSE COMPLEX | Descriptor: | CALCIUM ION, MANGANESE (II) ION, PROTEIN (PEA LECTIN), ... | Authors: | Ruzeinikov, S.N, Mikhailova Yu, I, Tsygannik, I.N, Pangborn, W, Duax, W, Pletnev, V.Z. | Deposit date: | 1998-12-08 | Release date: | 1998-12-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Structure of Pea Lectin-D-Glucopyranose Complex at a 1.9 A Resolution RUSS.J.BIOORGANIC CHEM., 23, 1997
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1JTQ
| E. coli TS Complex with dUMP and the Pyrrolo(2,3-d)pyrimidine-based Antifolate LY341770 | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-(2H-TETRAZOL-5-YL)-BUTYRIC ACID, THYMIDYLATE SYNTHASE | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | Deposit date: | 2001-08-21 | Release date: | 2001-09-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases. J.Mol.Biol., 313, 2001
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1JUT
| E. coli Thymidylate Synthase Bound to dUMP and LY338529, A Pyrrolo(2,3-d)pyrimidine-based Antifolate | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID, THYMIDYLATE SYNTHASE | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | Deposit date: | 2001-08-27 | Release date: | 2001-09-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases. J.Mol.Biol., 313, 2001
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1UE2
| Crystal structure of d(GC38GAAAGCT) | Descriptor: | 5'-D(*GP*(C38)P*GP*AP*AP*AP*GP*CP*T)-3', CHLORIDE ION, COBALT HEXAMMINE(III), ... | Authors: | Sunami, T, Kondo, J, Hirao, I, Watanaba, K, Miura, K, Takenaka, A. | Deposit date: | 2003-05-08 | Release date: | 2004-01-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure of d(GCGAAAGC) (hexagonal form): a base-intercalated duplex as a stable structure. Acta Crystallogr.,Sect.D, 60, 2004
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4EWH
| Co-crystal structure of ACK1 with inhibitor | Descriptor: | 6-{4-[2-(dimethylamino)ethoxy]phenyl}-N-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Activated CDC42 kinase 1 | Authors: | Liu, J, Walker, N, Wang, Z. | Deposit date: | 2012-04-27 | Release date: | 2012-09-19 | Last modified: | 2012-10-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Synthesis and optimization of substituted furo[2,3-d]-pyrimidin-4-amines and 7H-pyrrolo[2,3-d]pyrimidin-4-amines as ACK1 inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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1F4P
| Y98W FLAVODOXIN MUTANT 1.5A (D. VULGARIS) | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Reynolds, R.A, Watt, W, Watenpaugh, K.D. | Deposit date: | 2000-06-08 | Release date: | 2001-04-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structures and comparison of the Y98H (2.0 A) and Y98W (1.5 A) mutants of flavodoxin (Desulfovibrio vulgaris). Acta Crystallogr.,Sect.D, 57, 2001
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1XAS
| CRYSTAL STRUCTURE, AT 2.6 ANGSTROMS RESOLUTION, OF THE STREPTOMYCES LIVIDANS XYLANASE A, A MEMBER OF THE F FAMILY OF BETA-1,4-D-GLYCANSES | Descriptor: | 1,4-BETA-D-XYLAN XYLANOHYDROLASE | Authors: | Derewenda, U, Derewenda, Z.S. | Deposit date: | 1994-05-31 | Release date: | 1995-05-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure, at 2.6-A resolution, of the Streptomyces lividans xylanase A, a member of the F family of beta-1,4-D-glycanases. J.Biol.Chem., 269, 1994
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3W2S
| EGFR kinase domain with compound4 | Descriptor: | 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, Epidermal growth factor receptor, SULFATE ION | Authors: | Sogabe, S, Kawakita, Y, Igaki, S. | Deposit date: | 2012-12-03 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
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3W2R
| EGFR Kinase domain T790M/L858R mutant with compound 4 | Descriptor: | 1,2-ETHANEDIOL, 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, Epidermal growth factor receptor | Authors: | Sogabe, S, Kawakita, Y, Igaki, S. | Deposit date: | 2012-12-03 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
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1UE3
| Crystal structure of d(GCGAAAGC) containing hexaamminecobalt | Descriptor: | 5'-D(*GP*CP*GP*AP*AP*AP*GP*C)-3', CHLORIDE ION, COBALT HEXAMMINE(III), ... | Authors: | Sunami, T, Kondo, J, Hirao, I, Watanabe, K, Miura, K, Takenaka, A. | Deposit date: | 2003-05-08 | Release date: | 2004-01-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of d(GCGAAAGC) (hexagonal form): a base-intercalated duplex as a stable structure. Acta Crystallogr.,Sect.D, 60, 2004
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1CSC
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4CBN
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4DHF
| Structure of Aurora A mutant bound to Biogenidec cpd 15 | Descriptor: | 7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-3-yl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Aurora kinase A, MAGNESIUM ION, ... | Authors: | Silvian, L, Marcotte, D.J. | Deposit date: | 2012-01-27 | Release date: | 2012-07-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based design of 2,6,7-trisubstituted-7H-pyrrolo[2,3-d]pyrimidines as Aurora kinases inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4IMN
| Crystal structure of wild type human Lipocalin PGDS bound with PEG MME 2000 | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Lipocalin-type prostaglandin-D synthase | Authors: | Lim, S.M, Chen, D, Teo, H, Roos, A, Nyman, T, Tresaugues, L, Pervushin, K, Nordlund, P. | Deposit date: | 2013-01-03 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural and dynamic insights into substrate binding and catalysis of human lipocalin prostaglandin D synthase. J.Lipid Res., 54, 2013
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