6SFC
 
 | | EED in complex with a methyl-thiazole | | Descriptor: | CALCIUM ION, N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | Authors: | Read, J.A. | | Deposit date: | 2019-08-01 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rapid Identification of Novel Allosteric PRC2 Inhibitors.
Acs Chem.Biol., 14, 2019
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5G3F
 | | Preserving Metallic Sites Affected by Radiation Damage the CuT2 CAse in Thermus Thermophilus Multicopper Oxidase | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, ... | | Authors: | Ruiz-Arellano, R, Diaz, A, Rosas, E, Rudino, E. | | Deposit date: | 2016-04-25 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Preserving Metallic Sites Affected by Radiation Damage the Cut2 Case in Thermus Thermophilus Multicopper Oxidase
To be Published
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6F2A
 | | Crystal structure of the complex Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO1 with Fe(II)/Lysine | | Descriptor: | ACETIC ACID, CHLORIDE ION, FE (II) ION, ... | | Authors: | Isabet, T, Stura, E.A, Legrand, P, Zaparucha, A, Bastard, K. | | Deposit date: | 2017-11-24 | | Release date: | 2018-11-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family.
Sci Rep, 8, 2018
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8JQ3
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1BFE
 | | THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 | | Descriptor: | PSD-95 | | Authors: | Doyle, D.A, Lee, A, Lewis, J, Kim, E, Sheng, M, Mackinnon, R. | | Deposit date: | 1998-05-20 | | Release date: | 1998-10-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of a complexed and peptide-free membrane protein-binding domain: molecular basis of peptide recognition by PDZ.
Cell(Cambridge,Mass.), 85, 1996
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6MEW
 | | RFXANK ankyrin repeats in complex with a RFX7 peptide | | Descriptor: | DNA-binding protein RFXANK, RFX7 peptide, UNKNOWN ATOM OR ION | | Authors: | Tempel, W, Xu, C, Dong, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-09-07 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | RFXANK ankyrin repeats in complex with a RFX7 peptide
to be published
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3LVM
 | | Crystal Structure of E.coli IscS | | Descriptor: | Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Shi, R, Proteau, A, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2010-02-22 | | Release date: | 2010-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis for Fe-S cluster assembly and tRNA thiolation mediated by IscS protein-protein interactions.
Plos Biol., 8, 2010
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3LVY
 | | Crystal Structure of Carboxymuconolactone Decarboxylase Family Protein SMU.961 from Streptococcus mutans | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Carboxymuconolactone decarboxylase family, ... | | Authors: | Kim, Y, Xu, X, Cui, H, Chin, S, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-02-22 | | Release date: | 2010-03-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Carboxymuconolactone Decarboxylase Family Protein SMU.961 from Streptococcus mutans
To be Published
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5JWQ
 | | Crystal structure of KaiC S431E in complex with foldswitch-stabilized KaiB from Thermosynechococcus elongatus | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiB, Circadian clock protein kinase KaiC | | Authors: | Tseng, R, Goularte, N.F, Chavan, A, Luu, J, Chang, Y, Heilser, J, Tripathi, S, LiWang, A, Partch, C.L. | | Deposit date: | 2016-05-12 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.871 Å) | | Cite: | Structural basis of the day-night transition in a bacterial circadian clock.
Science, 355, 2017
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7U2J
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Gly-NH-tRNAgly, peptidyl P-site fMAC-NH-tRNAmet, deacylated E-site tRNAgly, and chloramphenicol at 2.55A resolution | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Syroegin, E.A, Aleksandrova, E.V, Polikanov, Y.S. | | Deposit date: | 2022-02-24 | | Release date: | 2022-07-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural basis for the inability of chloramphenicol to inhibit peptide bond formation in the presence of A-site glycine.
Nucleic Acids Res., 50, 2022
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3LXK
 | | Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6 | | Descriptor: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Tyrosine-protein kinase JAK3 | | Authors: | Chrencik, J.E, Patny, A, Leung, I.K, Korniski, B, Emmons, T.L, Benson, T.E. | | Deposit date: | 2010-02-25 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6.
J.Mol.Biol., 400, 2010
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1B44
 | | CRYSTAL STRUCTURE OF THE B SUBUNIT OF HEAT-LABILE ENTEROTOXIN FROM E. COLI CARRYING A PEPTIDE WITH ANTI-HSV ACTIVITY | | Descriptor: | PROTEIN (B-POL SUBUNIT OF HEAT-LABILE ENTEROTOXIN) | | Authors: | Matkovic-Calogovic, D, Loregian, A, D'Acunto, M.R, Battistutta, R, Tossi, A, Palu, G, Zanotti, G. | | Deposit date: | 1999-01-04 | | Release date: | 1999-01-13 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of the B subunit of Escherichia coli heat-labile enterotoxin carrying peptides with anti-herpes simplex virus type 1 activity.
J.Biol.Chem., 274, 1999
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3LXQ
 | | The Crystal Structure of a Protein in the Alkaline Phosphatase Superfamily from Vibrio parahaemolyticus to 1.95A | | Descriptor: | CHLORIDE ION, Uncharacterized protein VP1736 | | Authors: | Stein, A.J, Weger, A, Duggan, E, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-02-25 | | Release date: | 2010-03-09 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Crystal Structure of a Protein in the Alkaline Phosphatase Superfamily from Vibrio parahaemolyticus to 1.95A
To be Published
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6F6R
 | | Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide | | Descriptor: | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION | | Authors: | Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F. | | Deposit date: | 2017-12-06 | | Release date: | 2018-05-02 | | Last modified: | 2018-05-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne.
J. Med. Chem., 61, 2018
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8S32
 | | GroEL with bound GroTAC peptide | | Descriptor: | Chaperonin GroEL, GroTAC | | Authors: | Wroblewski, K, Izert-Nowakowska, M.A, Goral, T.K, Klimecka, M.M, Kmiecik, S, Gorna, M.W. | | Deposit date: | 2024-02-19 | | Release date: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.45 Å) | | Cite: | Depletion of essential GroEL protein in Escherichia coli using Clp-Interacting Peptidic Protein Erasers (CLIPPERs)
To Be Published
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1B4Z
 | | OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH KDK | | Descriptor: | ACETATE ION, PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN), PROTEIN (PEPTIDE LYS-ASP-LYS), ... | | Authors: | Tame, J.R.H, Sleigh, S.H, Wilkinson, A.J. | | Deposit date: | 1999-01-04 | | Release date: | 1999-01-13 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystallographic and calorimetric analysis of peptide binding to OppA protein.
J.Mol.Biol., 291, 1999
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3LYR
 | | Human Early B-cell Factor 1 (EBF1) DNA-binding domain | | Descriptor: | AMMONIUM ION, SULFATE ION, Transcription factor COE1, ... | | Authors: | Siponen, M.I, Wisniewska, M, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kraulis, P, Kotenyova, T, Markova, N, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schuler, H, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-02-28 | | Release date: | 2010-03-16 | | Last modified: | 2014-10-08 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural Determination of Functional Domains in Early B-cell Factor (EBF) Family of Transcription Factors Reveals Similarities to Rel DNA-binding Proteins and a Novel Dimerization Motif.
J.Biol.Chem., 285, 2010
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4R2B
 | | Crystal structure of sugar transporter Oant_3817 from Ochrobactrum anthropi, target EFI-510528, with bound glucose | | Descriptor: | Extracellular solute-binding protein family 1, alpha-D-glucopyranose | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-08-11 | | Release date: | 2014-08-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal Structure of Glucose Transporter Oant_3817 from Ochrobactrum Anthropi, Target EFI-510528
To be Published
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4EV6
 | | The complete structure of CorA magnesium transporter from Methanocaldococcus jannaschii | | Descriptor: | MAGNESIUM ION, Magnesium transport protein CorA, UNDECYL-MALTOSIDE | | Authors: | Guskov, A, Nordin, N, Reynaud, A, Engman, H, Lundback, A.-K, Jong, A.J.O, Cornvik, T, Phua, T, Eshaghi, S. | | Deposit date: | 2012-04-25 | | Release date: | 2012-10-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural insights into the mechanisms of Mg2+ uptake, transport, and gating by CorA
Proc.Natl.Acad.Sci.USA, 109, 2012
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6M5E
 | | Human serum albumin with cyclic peptide dalbavancin | | Descriptor: | (2S,5S)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid, 10-METHYLUNDECANOIC ACID, 2-amino-2-deoxy-beta-D-altropyranuronic acid, ... | | Authors: | Ito, S, Senoo, A, Nagatoishi, S, Ohue, M, Yamamoto, M, Tsumoto, K, Wakui, N. | | Deposit date: | 2020-03-10 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for the Binding Mechanism of Human Serum Albumin Complexed with Cyclic Peptide Dalbavancin.
J.Med.Chem., 63, 2020
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7Z7F
 | | Crystal structure of YTHDF2 with compound YLI_DC1_005 | | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Nai, F, Li, Y, Dolbois, A, Caflisch, A. | | Deposit date: | 2022-03-15 | | Release date: | 2022-03-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
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1B6J
 | | HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 1 | | Descriptor: | CYCLIC PEPTIDE INHIBITOR, RETROPEPSIN, SULFATE ION | | Authors: | Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P. | | Deposit date: | 1999-01-17 | | Release date: | 2000-01-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
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7M9W
 | | HIV-1 Protease (I84V) in Complex with NR02-73 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2021-03-31 | | Release date: | 2022-08-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | HIV-1 Protease (I84V) in Complex with NR02-73
To Be Published
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7M9S
 | | HIV-1 Protease WT (NL4-3) in Complex with NR01-141 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2021-03-31 | | Release date: | 2022-08-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.961 Å) | | Cite: | HIV-1 Protease WT (NL4-3) in Complex with NR01-141
To Be Published
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8RJV
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3778 (compound 12 in publication) | | Descriptor: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase nsp5 | | Authors: | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | | Deposit date: | 2023-12-21 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
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