4JVF
| The Crystal structure of PDE6D in complex with the inhibitor (s)-5 | Descriptor: | (2S)-2-(2-phenyl-1H-benzimidazol-1-yl)-2-(piperidin-4-yl)ethyl 1-(1-benzyl-1H-benzimidazol-2-yl)piperidine-4-carboxylate, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Authors: | Gunther, Z, Papke, B, Ismail, S, Vartak, N, Chandra, A, Hoffmann, M, Hahn, S, Triola, G, Wittinghofer, A, Bastiaens, P, Waldmann, H. | Deposit date: | 2013-03-25 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Small molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling Nature, 497, 2013
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4JV6
| The crystal structure of PDE6D in complex to inhibitor-1 | Descriptor: | 1-benzyl-2-phenyl-1H-benzimidazole, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Authors: | Gunther, Z, Papke, B, Ismail, S, Vartak, N, Chandra, A, Hoffmann, M, Hahn, S, Triola, G, Wittinghofer, A, Bastiaens, P, Waldmann, H. | Deposit date: | 2013-03-25 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Small molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling Nature, 497, 2013
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4JOA
| Crystal Structure of Human Anaplastic Lymphoma Kinase in complex with 7-azaindole based inhibitor | Descriptor: | 3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, ALK tyrosine kinase receptor | Authors: | Hosahalli, S, Krishnamurthy, N.R, Lakshminarasimhan, A. | Deposit date: | 2013-03-18 | Release date: | 2013-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode Bioorg.Med.Chem.Lett., 23, 2013
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2GHB
| Thermotoga maritima maltotriose binding protein, ligand free form | Descriptor: | maltose ABC transporter, periplasmic maltose-binding protein | Authors: | Cuneo, M.J, Changela, A, Hocker, B, Beese, L.S, Hellinga, H.W. | Deposit date: | 2006-03-27 | Release date: | 2007-02-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | T. maritima maltotriose binding protein open form To be Published
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2GH9
| Thermus thermophilus maltotriose binding protein bound with maltotriose | Descriptor: | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose/maltodextrin-binding protein | Authors: | Cuneo, M.J, Changela, A, Beese, L.S, Hellinga, H.W. | Deposit date: | 2006-03-27 | Release date: | 2007-02-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural adaptations that modulate monosaccharide, disaccharide, and trisaccharide specificities in periplasmic maltose-binding proteins. J.Mol.Biol., 389, 2009
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4BNJ
| Crystal structure of S. aureus FabI in complex with NADP and 5-methyl- 2-phenoxyphenol | Descriptor: | 5-methyl-2-phenoxyphenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | Deposit date: | 2013-05-15 | Release date: | 2013-06-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex. Biochemistry, 52, 2013
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2B9X
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2BAC
| Crystal structure of CLA-producing fatty acid isomerase from P. acnes | Descriptor: | (11E,13E,15Z)-OCTADECA-11,13,15-TRIENOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | Authors: | Rudolph, M.G, Liavonchanka, A. | Deposit date: | 2005-10-14 | Release date: | 2006-01-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and mechanism of the Propionibacterium acnes polyunsaturated fatty acid isomerase Proc.Natl.Acad.Sci.Usa, 103, 2006
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2ALU
| Detection of new binding site in the C-terminal lobe of lactoferrin:Crystal structure of the complex formed between bovine lactoferrin and a tetrasaccharide at 2.1A 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-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | Authors: | Singh, N, Jabeen, T, Sharma, S, Bhushan, A, Singh, T.P. | Deposit date: | 2005-08-08 | Release date: | 2005-09-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Detection of new binding site in the C-terminal lobe of lactoferrin:Crystal structure of the complex formed between bovine lactoferrin and a tetrasaccharide at 2.1A resolution To be Published
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6GS4
| Crystal structure of peptide transporter DtpA-nanobody in complex with valganciclovir | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Dipeptide and tripeptide permease A, [(2~{S})-2-[(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{S})-2-azanyl-3-methyl-butanoate, ... | Authors: | Ural-Blimke, Y, Flayhan, A, Quistgaard, E.M, Loew, C. | Deposit date: | 2018-06-13 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.645 Å) | Cite: | Structure of Prototypic Peptide Transporter DtpA from E. coli in Complex with Valganciclovir Provides Insights into Drug Binding of Human PepT1. J. Am. Chem. Soc., 141, 2019
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2GHA
| Thermotoga maritima maltotriose binding protein bound with maltotriose | Descriptor: | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose ABC transporter, periplasmic maltose-binding protein | Authors: | Cuneo, M.J, Changela, A, Hocker, B, Beese, L.S, Hellinga, H.W. | Deposit date: | 2006-03-27 | Release date: | 2007-02-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | T. maritima maltotriose binding protein To be Published
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2B3B
| Thermus thermophilus Glucose/Galactose Binding Protein With Bound Glucose | Descriptor: | alpha-D-glucopyranose, beta-D-glucopyranose, glucose-binding protein | Authors: | Cuneo, M.J, Changela, A, Warren, J.J, Beese, L.S, Hellinga, H.W. | Deposit date: | 2005-09-20 | Release date: | 2006-07-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The crystal structure of a thermophilic glucose binding protein reveals adaptations that interconvert mono and di-saccharide binding sites. J.Mol.Biol., 362, 2006
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2AOS
| Protein-protein Interactions of protective signalling factor: Crystal structure of ternary complex involving signalling protein from goat (SPG-40), tetrasaccharide and a tripeptide Trp-pro-Trp at 2.9 A resolution | Descriptor: | 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Signaling protein from goat, SPG-40, ... | Authors: | Kumar, J, Ethayathulla, A.S, Srivastava, D.B, Somvanshi, R.K, Singh, N, Sharma, S, Dey, S, Bhushan, A, Kaur, P, Singh, T.P. | Deposit date: | 2005-08-14 | Release date: | 2005-09-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Protein-protein Interactions of protective signalling factor: Crystal structure of ternary complex involving signalling protein from goat (SPG-40), tetrasaccharide and a tripeptide Trp-pro-Trp at 2.9 A resolution To be Published
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3UTZ
| Endogenous-like inhibitory antibodies targeting activated metalloproteinase motifs show therapeutic potential | Descriptor: | Metalloproteinase, heavy chain, light chain, ... | Authors: | Sela-Passwell, N, Kikkeri, R, Dym, O, Rozenberg, H, Margalit, R, Arad-Yellin, R, Eisenstein, M, Brenner, O, Shoham, T, Danon, T, Shanzer, A, Sagi, I, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-11-27 | Release date: | 2011-12-14 | Last modified: | 2017-03-15 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Antibodies targeting the catalytic zinc complex of activated matrix metalloproteinases show therapeutic potential. NAT.MED. (N.Y.), 18, 2012
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4KL4
| Crystal structure of Ribosome inactivating protein from Momordica balsamina complexed with Polyethylene glycol at 1.90 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Pandey, S, Tyagi, T.K, Singh, A, Bhushan, A, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-05-07 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Ribosome inactivating protein from Momordica balsamina complexed with Polyethylene glycol at 1.90 Angstrom resolution To be Published
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2DYX
| Structure of the complex of lactoferrin C-lobe with melibiose at 2.0 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | Authors: | Mir, R, Prem kumar, R, Sinha, M, Singh, N, Sharma, S, Kaur, P, Bhushan, A, Singh, T.P. | Deposit date: | 2006-09-19 | Release date: | 2006-10-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the complex of lactoferrin C-lobe with melibiose at 2.0 A resolution To be Published
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4O90
| Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.6A resolution | Descriptor: | Chorismate synthase, GLYCEROL, L(+)-TARTARIC ACID | Authors: | Chaudhary, A, Singh, N, Shukla, P.K, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-12-31 | Release date: | 2014-01-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.6A resolution To be Published
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4KWN
| A new stabilizing water structure at the substrate binding site in ribosome inactivating protein from Momordica balsamina at 1.80 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, rRNA N-glycosidase | Authors: | Yamini, S, Pandey, S, Singh, A, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-05-24 | Release date: | 2013-06-12 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A new stabilizing water structure at the substrate binding site in ribosome inactivating protein from Momordica balsamina at 1.80 A resolution To be Published
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2BA9
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4OB9
| Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution | Descriptor: | Chorismate synthase | Authors: | Shukla, P.K, Chaudhary, A, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2014-01-07 | Release date: | 2014-01-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution To be Published
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2HPZ
| Crystal structure of proteinase K complex with a synthetic peptide KLKLLVVIRLK at 1.69 A resolution | Descriptor: | 11-mer synthetic peptide, CALCIUM ION, NITRATE ION, ... | Authors: | Prem kumar, R, Singh, A.K, Somvanshi, R.K, Singh, N, Sharma, S, Kaur, P, Dey, S, Bhushan, A, Singh, T.P. | Deposit date: | 2006-07-18 | Release date: | 2006-08-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystal structure of proteinase K complex with a synthetic peptide KLKLLVVIRLK at 1.69 A resolution To be Published
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4OQO
| Crystal structure of the tryptic generated iron-free C-lobe of bovine Lactoferrin at 2.42 Angstrom 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, Lactotransferrin | Authors: | Singh, A, Rastogi, N, Pandey, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2014-02-10 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structure of the iron-free true C-terminal half of bovine lactoferrin produced by tryptic digestion and its functional significance in the gut. Febs J., 281, 2014
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2B31
| Crystal structure of the complex formed between goat signalling protein with pentasaccharide at 3.1 A resolution reveals large scale conformational changes in the residues of TIM barrel | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-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-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1, ... | Authors: | Ethayathulla, A.S, Kumar, J, Srivastava, D.B, Singh, N, Sharma, S, Bhushan, A, Singh, T.P. | Deposit date: | 2005-09-19 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the complex formed between goat signalling protein with pentasaccharide at 3.1 A resolution reveals large scale conformational changes in the residues of TIM barrel TO BE PUBLISHED
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2E0S
| Carbohydrate recognition of C-terminal half of lactoferrin: Crystal structure of the complex of C-lobe with rhamnose at 2.15 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | Authors: | Mir, R, Prem Kumar, R, Singh, N, Sinha, M, Sharma, S, Bhushan, A, Kaur, P, Singh, T.P. | Deposit date: | 2006-10-11 | Release date: | 2006-10-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Carbohydrate recognition of C-terminal half of lactoferrin: Crystal structure of the complex of C-lobe with rhamnose at 2.15 A resolution To be Published
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3U8G
| Crystal structure of the complex of Dihydrodipicolinate synthase from Acinetobacter baumannii with Oxalic acid at 1.80 A resolution | Descriptor: | Dihydrodipicolinate synthase, OXALATE ION | Authors: | Kumar, M, Kaushik, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2011-10-17 | Release date: | 2011-11-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the complex of Dihydrodipicolinate synthase from Acinetobacter baumannii with Oxalic acid at 1.80 A resolution To be Published
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