3O5N
| Tetrahydroquinoline carboxylates are potent inhibitors of the Shank PDZ domain, a putative target in autism disorders | Descriptor: | (3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid, SH3 and multiple ankyrin repeat domains protein 3 | Authors: | Saupe, J, Roske, Y, Schillinger, C, Kamdem, N, Radetzki, S, Diehl, A, Oschkinat, H, Krause, G, Heinemann, U, Rademann, J. | Deposit date: | 2010-07-28 | Release date: | 2011-06-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery, structure-activity relationship studies, and crystal structure of nonpeptide inhibitors bound to the shank3 PDZ domain. Chemmedchem, 6, 2011
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3RYH
| GMPCPP-Tubulin: RB3 Stathmin-like domain complex | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | Authors: | Nawrotek, A, Knossow, M, Gigant, B. | Deposit date: | 2011-05-11 | Release date: | 2011-10-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Determinants That Govern Microtubule Assembly from the Atomic Structure of GTP-Tubulin. J.Mol.Biol., 412, 2011
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3L3N
| Testis ACE co-crystal structure with novel inhibitor lisW | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, CHLORIDE ION, ... | Authors: | Watermeyer, J.M, Kroger, W.L, O'Neil, H.G, Sewell, B.T, Sturrock, E.D. | Deposit date: | 2009-12-17 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization of domain-selective inhibitor binding in angiotensin-converting enzyme using a novel derivative of lisinopril. Biochem.J., 428, 2010
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3O76
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4DUM
| Co-crystal structure of eIF4E with inhibitor | Descriptor: | (4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1H-purin-8-yl}phenyl)phosphonic acid, 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 4E | Authors: | Min, X, Johnstone, S, Walker, N, Wang, Z. | Deposit date: | 2012-02-22 | Release date: | 2012-04-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction. J.Med.Chem., 55, 2012
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3S1A
| Crystal structure of the phosphorylation-site double mutant S431E/T432E of the KaiC circadian clock protein | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase kaiC, MAGNESIUM ION | Authors: | Pattanayek, R, Williams, D.W, Rossi, G, Weigand, S, Mori, T, Johnson, C.H, Stewart, P.L, Egli, M. | Deposit date: | 2011-05-14 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Combined SAXS/EM Based Models of the S. elongatus Post-Translational Circadian Oscillator and its Interactions with the Output His-Kinase SasA. Plos One, 6, 2011
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3KK2
| HIV-1 reverse transcriptase-DNA complex with dATP bound in the nucleotide binding site | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*A*TP*GP*GP*TP*GP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', 5'-D(*AP*CP*A*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DOC))-3', ... | Authors: | Lansdon, E.B. | Deposit date: | 2009-11-04 | Release date: | 2010-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Visualizing the molecular interactions of a nucleotide analog, GS-9148, with HIV-1 reverse transcriptase-DNA complex. J.Mol.Biol., 397, 2010
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3WP4
| The crystal structure of native CDBFV from Neocallimastix patriciarum | Descriptor: | CDBFV, SULFATE ION | Authors: | Cheng, Y.S, Chen, C.C, Huang, C.H, Huang, T.Y, Ko, T.P, Huang, J.W, Wu, T.H, Liu, J.R, Guo, R.T. | Deposit date: | 2014-01-09 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Structural analysis of a glycoside hydrolase family 11 xylanase from Neocallimastix patriciarum: insights into the molecular basis of a thermophilic enzyme. J.Biol.Chem., 289, 2014
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3O8X
| Recognition of Glycolipid Antigen by iNKT Cell TCR | Descriptor: | (2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-D-GALACTOPYRANOSIDURONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M, Li, Y. | Deposit date: | 2010-08-03 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | The V alpha 14 invariant natural killer T cell TCR forces microbial glycolipids and CD1d into a conserved binding mode. J.Exp.Med., 207, 2010
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3O9W
| Recognition of a Glycolipid Antigen by the iNKT Cell TCR | Descriptor: | (2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M, Li, Y. | Deposit date: | 2010-08-04 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The V alpha 14 invariant natural killer T cell TCR forces microbial glycolipids and CD1d into a conserved binding mode. J.Exp.Med., 207, 2010
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4B98
| The structure of the omega aminotransferase from Pseudomonas aeruginosa | Descriptor: | 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, BETA-ALANINE--PYRUVATE TRANSAMINASE, CALCIUM ION, ... | Authors: | Sayer, C, Isupov, M.N, Westlake, A, Littlechild, J.A. | Deposit date: | 2012-09-03 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Studies with Pseudomonas and Chromobacterium [Omega]-Aminotransferases Provide Insights Into Their Differing Substrate Specificity. Acta Crystallogr.,Sect.D, 69, 2013
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3KO4
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3O5A
| Crystal Structure of partially reduced Periplasmic Nitrate Reductase from Cupriavidus necator using Ionic Liquids | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CHLORIDE ION, DIOXOTHIOMOLYBDENUM(VI) ION, ... | Authors: | Coelho, C, Trincao, J, Romao, M.J. | Deposit date: | 2010-07-28 | Release date: | 2011-04-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The crystal structure of Cupriavidus necator nitrate reductase in oxidized and partially reduced states J.Mol.Biol., 408, 2011
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3KOC
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3WN0
| Crystal Structure of Streptomyces coelicolor alpha-L-arabinofuranosidase in complex with L-arabinose | Descriptor: | CALCIUM ION, CHLORIDE ION, CITRIC ACID, ... | Authors: | Fujimoto, Z, Maehara, T, Ichinose, H, Michikawa, M, Harazono, K, Kaneko, S. | Deposit date: | 2013-11-29 | Release date: | 2014-02-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure and characterization of the glycoside hydrolase family 62 alpha-L-arabinofuranosidase from Streptomyces coelicolor J.Biol.Chem., 289, 2014
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3NNE
| Crystal structure of choline oxidase S101A mutant | Descriptor: | ACETATE ION, Choline oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Wang, Y.-F, Finnegan, S, Yuan, H, Orville, A.M, Weber, I.T, Gadda, G. | Deposit date: | 2010-06-23 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structural and kinetic studies on the Ser101Ala variant of choline oxidase: Catalysis by compromise. Arch.Biochem.Biophys., 501, 2010
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3KHC
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3S66
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4BLI
| Galectin-3c in complex with Bisamido-thiogalactoside derivate 1 | Descriptor: | (3-Deoxy-3-(3-methoxy-benzamido)-b-D-galactopyranosyl)-(3-deoxy-3-(3-methoxy-benzamido)-2-O-sulfo-b-D-galactopyranosyl)-sulfide, GALECTIN-3 | Authors: | Noresson, A.L, Oberg, C.T, Engstrom, O, Hakansson, M, Logan, D.T, Leffler, H, Nilsson, U.J. | Deposit date: | 2013-05-03 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Controlling Protein Conformation Through Electronic Fine-Tuning of Arginine-Arene Interactions: Synthetic, Structural, and Biological Studies To be Published
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3SCO
| Crystal Structure of Rice BGlu1 E386G Mutant Complexed with alpha-Glucosyl Fluoride | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, GLYCEROL, ... | Authors: | Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R. | Deposit date: | 2011-06-08 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases to be published
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3SCV
| Crystal Structure of Rice BGlu1 E386G/S334A Mutant Complexed with Cellotetraose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ... | Authors: | Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R. | Deposit date: | 2011-06-08 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases to be published
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3PK2
| Artificial Transfer Hydrogenases for the Enantioselective Reduction of Cyclic Imines | Descriptor: | IRIDIUM (III) ION, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III) | Authors: | Schirmer, T, Heinisch, T. | Deposit date: | 2010-11-11 | Release date: | 2011-04-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Artificial transfer hydrogenases for the enantioselective reduction of cyclic imines. Angew.Chem.Int.Ed.Engl., 50, 2011
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4AEA
| Dimeric alpha-cobratoxin X-ray structure: Localization of intermolecular disulfides and possible mode of binding to nicotinic acetylcholine receptors | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, LONG NEUROTOXIN 1 | Authors: | Rucktooa, P, Osipov, A.V, Kasheverov, I.E, Filkin, S.Y, Starkov, V.G, Andreeva, T.V, Bertrand, D, Utkin, Y.N, Tsetlin, V.I, Sixma, T.K. | Deposit date: | 2012-01-09 | Release date: | 2012-01-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Dimeric Alpha-Cobratoxin X-Ray Structure: Localization of Intermolecular Disulfides and Possible Mode of Binding to Nicotinic Acetylcholine Receptors. J.Biol.Chem., 287, 2012
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3PMH
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3PTM
| The crystal structure of rice (Oryza sativa L.) Os4BGlu12 with 2-fluoroglucopyranoside | Descriptor: | 2-deoxy-2-fluoro-alpha-D-glucopyranose, Beta-glucosidase Os4BGlu12, GLYCEROL, ... | Authors: | Sansenya, S, Opassiri, R, Kuaprasert, B, Chen, C.J, Ketudat Cairns, J.R. | Deposit date: | 2010-12-03 | Release date: | 2011-05-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The crystal structure of rice (Oryza sativa L.) Os4BGlu12, an oligosaccharide and tuberonic acid glucoside-hydrolyzing beta-glucosidase with significant thioglucohydrolase activity Arch.Biochem.Biophys., 510, 2011
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