PDB: 30805 resultsInfo pagesStatus searchChemie searchBIRD

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5B2S	Crystal structure of the Streptococcus pyogenes Cas9 EQR variant in complex with sgRNA and target DNA (TGAG PAM) Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CRISPR-associated endonuclease Cas9, ... Authors: Hirano, S, Nishimasu, H, Ishitani, R, Nureki, O. Deposit date: 2016-02-02 Release date: 2016-03-23 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural Basis for the Altered PAM Specificities of Engineered CRISPR-Cas9 Mol.Cell, 61, 2016
7NMD	Human Major Histocompatibility Complex A24 Allele presenting QLPRLFPLL Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLN-LEU-PRO-ARG-LEU-PHE-PRO-LEU-LEU, ... Authors: Rizkallah, P.J, Sewell, A.K, Cole, D.K. Deposit date: 2021-02-23 Release date: 2022-09-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Human Major Histocompatibility Complex A24 Allele presenting QLPRLFPLL To Be Published
8PBW	Histidine-containing phosphotransfer protein from Chaetomium thermophilum Descriptor: 1,2-ETHANEDIOL, HPt domain-containing protein Authors: Paredes-Martinez, F, Casino, P. Deposit date: 2023-06-09 Release date: 2024-07-03 Last modified: 2024-07-17 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structural and functional insights underlying recognition of histidine phosphotransfer protein in fungal phosphorelay systems. Commun Biol, 7, 2024
7NME	Human MHC Class I, A24 Allele presenting QLPRLFPLL, Complex with 4C6 TCR Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4C6 Human T-cell Receptor, ... Authors: Rizkallah, P.J, Sewell, A.K, Cole, D.K, Wall, A. Deposit date: 2021-02-23 Release date: 2022-09-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Human MHC Class I, A24 Allele presenting QLPRLFPLL, Complex with 4C6 TCR To Be Published
7MY6	Se-CrtE C-term His-tag with IPP added Descriptor: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CHLORIDE ION, ... Authors: Peat, T.S, Newman, J. Deposit date: 2021-05-20 Release date: 2022-08-24 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase. Febs J., 289, 2022
6ORR	Co-crystal structure of human NicotinamideN-Methyltransferase (NNMT) in complex with High-Affinity Alkynyl Bisubstrate Inhibitor NS1 Descriptor: 9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-D-glycero-alpha-L-talo-decofuranuronosyl}-9H-purin-6-amine, GLYCEROL, NNMT protein Authors: May, E.J, Policarpo, R.L, Gaudet, R. Deposit date: 2019-04-30 Release date: 2019-10-23 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.25 Å) Cite: High-Affinity Alkynyl Bisubstrate Inhibitors of NicotinamideN-Methyltransferase (NNMT). J.Med.Chem., 62, 2019
6UBH	Structure of the MM7 Erbin PDZ variant in complex with a high-affinity peptide Descriptor: Erbin, SODIUM ION, peptide Authors: Singer, A.U, Teyra, J, McLaughlin, M, Ernst, A, Sicheri, F, Sidhu, S.S. Deposit date: 2019-09-11 Release date: 2020-07-29 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Comprehensive Assessment of the Relationship Between Site -2 Specificity and Helix alpha 2 in the Erbin PDZ Domain. J.Mol.Biol., 433, 2021
8P2U	Crystal structure of S6BE with Silicotungstic Acid (STA) polyoxometalate Descriptor: Keggin (STA), S6BE Authors: Wouters, S.M.L, Kamata, K, Vandebroek, L. Deposit date: 2023-05-16 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Crystal structure of S6BE with Silicotungstic Acid (STA) polyoxometalate To be published
6LW2	The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase Descriptor: 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1 Authors: Wang, X.Y, Zhou, J, Xu, B.L. Deposit date: 2020-02-07 Release date: 2020-05-13 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis. J.Med.Chem., 63, 2020
6OSU	Crystal Structure of the D-alanyl-D-alanine carboxypeptidase DacD from Francisella tularensis Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, D-alanyl-D-alanine carboxypeptidase (Penicillin binding protein) family protein Authors: Kim, Y, Stogios, P, Skarina, T, Di, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2019-05-02 Release date: 2019-05-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.44 Å) Cite: Crystal Structure of the D-alanyl-D-alanine carboxypeptidase DacD from Francisella tularensis To Be Published
7NMG	Human MHC Class I, A24 Allele presenting LWM, Complex with 4C6 TCR Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Diabetes epitope LWMRLLPLL, ... Authors: Rizkallah, P.J, Sewell, A.K, Cole, D.K, Wall, A. Deposit date: 2021-02-23 Release date: 2022-09-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.48 Å) Cite: Human MHC Class I, A24 Allele presenting LWM, Complex with 4C6 TCR To Be Published
8CG7	Structure of p53 cancer mutant Y220C with arylation at Cys182 and Cys277 Descriptor: 1,2-ETHANEDIOL, 5-iodanyl-2-methylsulfonyl-pyrimidine, Cellular tumor antigen p53, ... Authors: Balourdas, D.I, Pichon, M.M, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) Deposit date: 2023-02-03 Release date: 2023-12-13 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Structure-Reactivity Studies of 2-Sulfonylpyrimidines Allow Selective Protein Arylation. Bioconjug.Chem., 34, 2023
8BYR	Crystal structure of MoaB2 protein from Mycobacterium smegmatis Descriptor: Molybdopterin biosynthesis protein Authors: Narasimhan, S, Sanderova, H, Zidek, L, Krasny, L. Deposit date: 2022-12-21 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (2.53 Å) Cite: MoaB2 binds to sA in Mycobacterium smegmatis and modulates its activity and biological stability To Be Published
7VCN	Crystal Structure of PitA fragment from pilus islet-2 of Streptococcus oralis with Tb-Xo4 Descriptor: TERBIUM(III) ION, Tb-Xo4, von Willebrand factor type A domain protein Authors: Yadav, R.K, Krishnan, V. Deposit date: 2021-09-03 Release date: 2022-07-13 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.343 Å) Cite: New structural insights into the PI-2 pilus from Streptococcus oralis, an early dental plaque colonizer. Febs J., 289, 2022
8C0L	FC-THF stabilizer of 14-3-3 and ERalpha Descriptor: 14-3-3 protein sigma, ERalpha peptide, Fusicoccin A-THF Authors: Visser, E.J, Ottmann, C. Deposit date: 2022-12-17 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer To Be Published
7NMF	Human MHC Class I, A24 Allele presenting QLPRLFPLL, Complex with 4C6 TCR, monoclinic form Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLN-LEU-PRO-ARG-LEU-PHE-PRO-LEU-LEU, ... Authors: Rizkallah, P.J, Sewell, A.K, Cole, D.K, Wall, A. Deposit date: 2021-02-23 Release date: 2022-09-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.98 Å) Cite: Human MHC Class I, A24 Allele presenting QLPRLFPLL, Complex with 4C6 TCR, monoclinic form To Be Published
6OTI	Carbonic Anhydrase IX mimic complexed with ureic benzene sulfonamide MB9-561B Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ... Authors: Kota, A, McKenna, R. Deposit date: 2019-05-03 Release date: 2020-05-06 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2 Å) Cite: Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB9-561B To Be Published
8C0P	Crystal structure of S. aureus BlaR1 sensor domain in complex with a boronate inhibitor Descriptor: Regulatory protein BlaR1, [1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron Authors: Miguel-Ruano, V, Jimenez-Faraco, E, Hermoso, J.A. Deposit date: 2022-12-19 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Restoring Susceptibility to b-Lactam Antibiotics in Methicillin-Sensitive and Methicillin-Resistant Staphylococcus aureus To Be Published
6O7P	Nitrogenase MoFeP mutant F99Y from Azotobacter vinelandii in the dithionite reduced state Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... Authors: Rutledge, H.L, Williamson, L.M, Tezcan, F.A. Deposit date: 2019-03-08 Release date: 2019-06-19 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Redox-Dependent Metastability of the Nitrogenase P-Cluster. J.Am.Chem.Soc., 141, 2019
7VH4	Crystal structure of oligoribonuclease of Escherichia coli Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... Authors: Badhwar, P, Taneja, B. Deposit date: 2021-09-20 Release date: 2022-09-28 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Three-dimensional structure of a mycobacterial oligoribonuclease reveals a unique C-terminal tail that stabilizes the homodimer. J.Biol.Chem., 298, 2022
8C61	Structure of USP54 in complex with Lys63-linked diUbiquitin-PA Descriptor: CHLORIDE ION, Inactive ubiquitin carboxyl-terminal hydrolase 54, Polyubiquitin-B, ... Authors: Wendrich, K, Gersch, M. Deposit date: 2023-01-11 Release date: 2024-07-31 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structure of USP54 in complex with Lys63 linked diUbiquitin-PA To be published
8C0S	Crystal structure of S. aureus BlaR1 sensor domain in complex with an imidazole inhibitor Descriptor: 3-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-(hydroxymethyl)-1~{H}-imidazole-2-thione, Regulatory protein BlaR1 Authors: Miguel-Ruano, V, Hermoso, J.A. Deposit date: 2022-12-19 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (2 Å) Cite: Restoring Susceptibility to b-Lactam Antibiotics in Methicillin-Sensitive and Methicillin-Resistant Staphylococcus aureus To Be Published
6M48	Crystal structure of pilus adhesin, SpaC from Lactobacillus rhamnosus GG - P21212 form Descriptor: CHLORIDE ION, MAGNESIUM ION, SpaC Authors: Kant, A, Palva, A, Von Ossowaski, I, Krishnan, V. Deposit date: 2020-03-05 Release date: 2020-07-29 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal structure of lactobacillar SpaC reveals an atypical five-domain pilus tip adhesin: Exposing its substrate-binding and assembly in SpaCBA pili. J.Struct.Biol., 211, 2020
6UCC	Structure of human PACRG-MEIG1 complex (limited proteolysis) Descriptor: DI(HYDROXYETHYL)ETHER, Meiosis expressed gene 1 protein homolog, PHOSPHATE ION, ... Authors: Khan, N, Croteau, N, Pelletier, D, Veyron, S, Trempe, J.F. Deposit date: 2019-09-16 Release date: 2019-10-23 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Crystal structure of human PACRG in complex with MEIG1 Biorxiv, 2019
6OTM	Carbonic Anhydrase IX mimic complexed with ureic benzene sulfonamide MB10-586B Descriptor: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... Authors: Kota, A, McKenna, R. Deposit date: 2019-05-03 Release date: 2020-05-06 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.307 Å) Cite: Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB9-561B To Be Published

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