1H15
| X-ray crystal structure of HLA-DRA1*0101/DRB5*0101 complexed with a peptide from Epstein Barr Virus DNA polymerase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA POLYMERASE, ... | Authors: | Lang, H, Jacobsen, H, Ikemizu, S, Andersson, C, Harlos, K, Madsen, L, Hjorth, P, Sondergaard, L, Svejgaard, A, Wucherpfennig, K, Stuart, D.I, Bell, J.I, Jones, E.Y, Fugger, L. | Deposit date: | 2002-07-02 | Release date: | 2002-10-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A Functional and Structural Basis for Tcr Cross-Reactivity in Multiple Sclerosis Nat.Immunol., 3, 2002
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2AJ9
| X-ray crystal structure of W42A,R161A double mutant of Mycobacterium tuberculosis beta-ketoacyl-ACP synthase III | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase III | Authors: | Brown, A.K, Sridharan, S, Kremer, L, Lindenberg, S, Dover, L.G, Sacchettini, J.C, Besra, G.S. | Deposit date: | 2005-08-01 | Release date: | 2005-08-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Probing the Mechanism of the Mycobacterium tuberculosis beta-Ketoacyl-Acyl Carrier Protein Synthase III mtFabH: Factors Influencing Catalysis And Substrate Specificity. J.Biol.Chem., 280, 2005
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2B7L
| Crystal Structure of CTP:Glycerol-3-Phosphate Cytidylyltransferase from Staphylococcus aureus | Descriptor: | glycerol-3-phosphate cytidylyltransferase | Authors: | Fong, D.H, Yim, V.C.-N, D'Elia, M.A, Brown, E.D, Berghuis, A.M. | Deposit date: | 2005-10-04 | Release date: | 2006-06-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of CTP:glycerol-3-phosphate cytidylyltransferase from Staphylococcus aureus: examination of structural basis for kinetic mechanism. Biochim.Biophys.Acta, 1764, 2006
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5FFN
| Complex of subtilase SubTY from Bacillus sp. TY145 with chymotrypsin inhibitor CI2A | Descriptor: | CALCIUM ION, Enzyme subtilase SubTY from Bacillus sp. TY145, SODIUM ION, ... | Authors: | McAuley, K.E, Svendsen, A, Oestergaard, P.R, Dohnalek, J, Wilson, K.S. | Deposit date: | 2015-12-18 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Stabilization of Enzymes by Metal Binding: Structures of Two Alkalophilic Bacillus Subtilases and Analysis of the Second Metal-Binding Site of the Subtilase Family Book, 2016
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2AH9
| Crystal Structure of Human M340H-Beta-1,4-Galactosyltransferase-I (M340H-B4Gal-T1) in Complex with Chitotriose | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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: | Ramasamy, V, Ramakrishnan, B, Boeggeman, E, Ratner, D.M, Seeberger, P.H, Qasba, P.K. | Deposit date: | 2005-07-27 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Oligosaccharide Preferences of beta1,4-Galactosyltransferase-I: Crystal Structures of Met340His Mutant of Human beta1,4-Galactosyltransferase-I with a Pentasaccharide and Trisaccharides of the N-Glycan Moiety J.Mol.Biol., 353, 2005
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4ZBD
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2B1P
| inhibitor complex of JNK3 | Descriptor: | 3-{6-[(2-CHLOROPHENYL)AMINO]-1H-INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID, BETA-MERCAPTOETHANOL, Mitogen-activated protein kinase 10, ... | Authors: | Swahn, B.M, Huerta, F, Kallin, E, Malmstrom, J, Weigelt, T, Viklund, J, Womack, P, Xue, Y, Ohberg, L. | Deposit date: | 2005-09-16 | Release date: | 2006-09-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and synthesis of 6-anilinoindazoles as selective inhibitors of c-Jun N-terminal kinase-3 Bioorg.Med.Chem.Lett., 15, 2005
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5HL7
| The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with lefamulin | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 23S ribosomal RNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Eyal, Z, Matzov, D, Krupkin, M, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A. | Deposit date: | 2016-01-14 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | A novel pleuromutilin antibacterial compound, its binding mode and selectivity mechanism. Sci Rep, 6, 2016
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5L7I
| Structure of human Smoothened in complex with Vismodegib | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, SODIUM ION, ... | Authors: | Byrne, E.X.B, Sircar, R, Miller, P.S, Hedger, G, Luchetti, G, Nachtergaele, S, Tully, M.D, Mydock-McGrane, L, Covey, D.F, Rambo, R.F, Sansom, M.S.P, Newstead, S, Rohatgi, R, Siebold, C. | Deposit date: | 2016-06-03 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis of Smoothened regulation by its extracellular domains. Nature, 535, 2016
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5HHT
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1GXS
| Crystal Structure of Hydroxynitrile Lyase from Sorghum bicolor in Complex with Inhibitor Benzoic Acid: a novel cyanogenic enzyme | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZOIC ACID, DECANOIC ACID, ... | Authors: | Lauble, H, Miehlich, B, Foerster, S, Wajant, H, Effenberger, F. | Deposit date: | 2002-04-11 | Release date: | 2002-10-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Hydroxynitrile Lyase from Sorghum Bicolor in Complex with the Inhibitor Benzoic Acid: A Novel Cyanogenic Enzyme Biochemistry, 41, 2002
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5KUP
| Bruton's tyrosine kinase (BTK) with pyridazinone compound 9 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-6-oxidanylidene-5-(pyrimidin-4-ylamino)pyridin-3-yl]pyridin-2-yl]phthalazin-1-one, GLYCEROL, ... | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2016-07-13 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.389 Å) | Cite: | Battling Btk Mutants With Noncovalent Inhibitors That Overcome Cys481 and Thr474 Mutations. Acs Chem.Biol., 11, 2016
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5HE9
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2B8Q
| X-ray structure of Acanthamoeba ployphaga mimivirus nucleoside diphosphate kinase complexed with TDP | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Probable nucleoside diphosphate kinase, ... | Authors: | Jeudy, S, Claverie, J.M, Abergel, C. | Deposit date: | 2005-10-10 | Release date: | 2005-11-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Dissecting the unique nucleotide specificity of mimivirus nucleoside diphosphate kinase. J.Virol., 83, 2009
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1CBS
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5KJZ
| Co-crystal structure of PKA RI alpha CNB-B mutant (G316R/A336T) with cGMP | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, GLYCEROL, cAMP-dependent protein kinase type I-alpha regulatory subunit | Authors: | Lorenz, R, Moon, E, Kim, J.J, Huang, G.Y, Kim, C, Herberg, F.W. | Deposit date: | 2016-06-20 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.347 Å) | Cite: | Mutations of PKA cyclic nucleotide-binding domains reveal novel aspects of cyclic nucleotide selectivity. Biochem. J., 474, 2017
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1CBQ
| CRYSTAL STRUCTURE OF CELLULAR RETINOIC-ACID-BINDING PROTEINS I AND II IN COMPLEX WITH ALL-TRANS-RETINOIC ACID AND A SYNTHETIC RETINOID | Descriptor: | 6-(2,3,4,5,6,7-HEXAHYDRO-2,4,4-TRIMETHYL-1-METYLENEINDEN-2-YL)-3-METHYLHEXA-2,4-DIENOIC ACID, CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II, PHOSPHATE ION | Authors: | Kleywegt, G.J, Bergfors, T, Jones, T.A. | Deposit date: | 1994-09-28 | Release date: | 1995-01-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of cellular retinoic acid binding proteins I and II in complex with all-trans-retinoic acid and a synthetic retinoid. Structure, 2, 1994
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1GZG
| Complex of a Mg2-dependent porphobilinogen synthase from Pseudomonas aeruginosa (mutant D139N) with 5-fluorolevulinic acid | Descriptor: | 5-FLUOROLEVULINIC ACID, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, MAGNESIUM ION, ... | Authors: | Frere, F, Schubert, W.-D, Stauffer, F, Frankenberg, N, Neier, R, Jahn, D, Heinz, D.W. | Deposit date: | 2002-05-21 | Release date: | 2002-06-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structure of porphobilinogen synthase from Pseudomonas aeruginosa in complex with 5-fluorolevulinic acid suggests a double Schiff base mechanism. J. Mol. Biol., 320, 2002
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5FQ4
| Crystal structure of the lipoprotein BT2263 from Bacteroides thetaiotaomicron | Descriptor: | CALCIUM ION, PUTATIVE LIPOPROTEIN | Authors: | Glenwright, A.J, Pothula, K.R, Chorev, D.S, Basle, A, Robinson, C.V, Kleinekathoefer, U, Bolam, D.N, van den Berg, B. | Deposit date: | 2015-12-04 | Release date: | 2016-12-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for nutrient acquisition by dominant members of the human gut microbiota. Nature, 541, 2017
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2BAW
| Human Nuclear Receptor-Ligand Complex 1 | Descriptor: | Peroxisome proliferator activated receptor delta, VACCENIC ACID, heptyl beta-D-glucopyranoside | Authors: | Fyffe, S.A, Alphey, M.S, Buetow, L, Smith, T.K, Ferguson, M.A.J, Sorensen, M.D, Bjorkling, F, Hunter, W.N. | Deposit date: | 2005-10-15 | Release date: | 2006-01-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Reevaluation of the PPAR-beta/delta Ligand Binding Domain Model Reveals Why It Exhibits the Activated Form Mol.Cell, 21, 2006
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4XGC
| Crystal structure of the eukaryotic origin recognition complex | Descriptor: | CHLORIDE ION, Origin recognition complex subunit 1, Origin recognition complex subunit 2, ... | Authors: | Bleichert, F, Botchan, M.R, Berger, J.M. | Deposit date: | 2014-12-30 | Release date: | 2015-04-01 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structure of the eukaryotic origin recognition complex. Nature, 519, 2015
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5FQ3
| Crystal structure of the lipoprotein BT2262 from Bacteroides thetaiotaomicron | Descriptor: | BT_2262 | Authors: | Glenwright, A.J, Pothula, K.R, Chorev, D.S, Basle, A, Robinson, C.V, Kleinekathoefer, U, Bolam, D.N, van den Berg, B. | Deposit date: | 2015-12-04 | Release date: | 2016-12-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for nutrient acquisition by dominant members of the human gut microbiota. Nature, 541, 2017
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5FV7
| Human Fen1 in complex with an N-hydroxyurea compound | Descriptor: | 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, FLAP ENDONUCLEASE 1, MAGNESIUM ION | Authors: | Exell, J.C, Thompson, M.J, Finger, L.D, Shaw, S.K, Abbott, W.M, McWhirter, C, Debreczeni, J.E, Jones, C.D, Nissink, J.W.M, Ward, T.A, Sioberg, C.W.L, Molina, D.M, Durant, S.T, Grasby, J.A. | Deposit date: | 2016-02-03 | Release date: | 2016-08-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Cellular Active N-Hydroxyurea Fen1 Inhibitors Block Substrate Entry to the Active Site Nat.Chem.Biol., 12, 2016
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2H6M
| An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors | Descriptor: | N-ACETYL-LEUCYL-ALANYL-ALANYL-(N,N-DIMETHYL)-GLUTAMINE-(1,4-DIOXO-3,4-DIHYDRO-1H-PHTHALAZIN-2-YL)METHYLKETONE INHIBITOR, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, Picornain 3C | Authors: | Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N. | Deposit date: | 2006-05-31 | Release date: | 2006-08-08 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors. J.Mol.Biol., 361, 2006
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5KVH
| Crystal structure of human apoptosis-inducing factor with W196A mutation | Descriptor: | Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Brosey, C.A, Nix, J, Ellenberger, T, Tainer, J.A. | Deposit date: | 2016-07-14 | Release date: | 2016-11-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.273 Å) | Cite: | Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor. Structure, 24, 2016
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