PDB: 68717 resultsInfo pagesStatus searchChemie searchBIRD

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5FU8	Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... Authors: Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. Deposit date: 2016-01-21 Release date: 2017-02-22 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa. To be Published
5CTY	Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ... Authors: Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. Deposit date: 2015-07-24 Release date: 2016-02-03 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
5D3S	First bromodomain of BRD4 bound to inhibitor XD44 Descriptor: (R,R)-2,3-BUTANEDIOL, 4-acetyl-3-ethyl-N-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ... Authors: Wohlwend, D, Huegle, M. Deposit date: 2015-08-06 Release date: 2016-01-20 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.75 Å) Cite: 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
5D3H	First bromodomain of BRD4 bound to inhibitor XD29 Descriptor: Bromodomain-containing protein 4, N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1H-pyrrole-2-carboxamide Authors: Wohlwend, D, Huegle, M, Weitzel, G. Deposit date: 2015-08-06 Release date: 2016-01-20 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.7 Å) Cite: 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
5D7D	Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ... Authors: Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. Deposit date: 2015-08-13 Release date: 2015-11-11 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors. Acs Med.Chem.Lett., 6, 2015
5D7Q	Crystal structure of human Sirt2 in complex with ADPR and CHIC35 Descriptor: (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... Authors: Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. Deposit date: 2015-08-14 Release date: 2015-12-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking. Acta Crystallogr.,Sect.F, 71, 2015
5D7C	Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea, DNA gyrase subunit B, ... Authors: Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. Deposit date: 2015-08-13 Release date: 2015-11-25 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
5D7R	Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-hydroxy-5-[5-(6-hydroxy-7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid, CHLORIDE ION, ... Authors: Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. Deposit date: 2015-08-14 Release date: 2015-11-18 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors. Acs Med.Chem.Lett., 6, 2015
6YJ3	Metala-Carborane di-propyl-sulfonamide Descriptor: Carbonic anhydrase 2, Metala-Carborane di-propyl-sulfonamide, ZINC ION Authors: Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M. Deposit date: 2020-04-02 Release date: 2020-09-09 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX. Chempluschem, 86, 2021
5E5P	Wild type I-SmaMI in the space group of C121 Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, I-SmaMI LAGLIDADG meganuclease Authors: Shen, B.W. Deposit date: 2015-10-09 Release date: 2016-01-13 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.65 Å) Cite: The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease. J.Mol.Biol., 428, 2016
5FYE	Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... Authors: Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. Deposit date: 2016-03-07 Release date: 2017-03-22 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa. To be Published
5EDM	Crystal structure of prothrombin deletion mutant residues 154-167 ( Form I ) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... Authors: Pozzi, N, Chen, Z, Di Cera, E. Deposit date: 2015-10-21 Release date: 2016-01-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.2 Å) Cite: How the Linker Connecting the Two Kringles Influences Activation and Conformational Plasticity of Prothrombin. J.Biol.Chem., 291, 2016
5E5F	X-ray structure of the complex between RNase A and compound 4-PF6 ([(PPh3)Au(mi-pbi)Pt(Me)(DMSO)][PF6]), the heterobimetallic derivative obtained in the reaction between the organometallic compound [Pt(pbi)(Me)(DMSO)], pbi=2-(2'-pyridil)benzimidazole (compound 3) and the gold(I) compound [Au(Ph3P)][PF6] Descriptor: ACETATE ION, GOLD ION, Ribonuclease pancreatic, ... Authors: Merlino, A. Deposit date: 2015-10-08 Release date: 2015-12-09 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Cytotoxic properties of a new organometallic platinum(ii) complex and its gold(i) heterobimetallic derivatives. Dalton Trans, 45, 2015
5E5O	I-SmaMI bound to uncleaved DNA target in the presence of Calcium ions Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (25-MER), ... Authors: Shen, B.W. Deposit date: 2015-10-08 Release date: 2016-01-13 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.36 Å) Cite: The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease. J.Mol.Biol., 428, 2016
5DVF	Crystal structure of unliganded periplasmic glucose binding protein (ppGBP) from P. putida CSV86 Descriptor: Binding protein component of ABC sugar transporter, SULFATE ION Authors: Pandey, S, Modak, A, Phale, P.S, Bhaumik, P. Deposit date: 2015-09-21 Release date: 2016-02-17 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: High Resolution Structures of Periplasmic Glucose-binding Protein of Pseudomonas putida CSV86 Reveal Structural Basis of Its Substrate Specificity J.Biol.Chem., 291, 2016
5FTV	Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... Authors: Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. Deposit date: 2016-01-18 Release date: 2017-02-22 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.213 Å) Cite: Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa. To be Published
2YDU	Crystal structure of YopH in complex with 3-(1,1-dioxido-3- oxoisothiazolidin-5-yl)benzaldeyde Descriptor: 3-[(2S)-1,1-DIOXIDO-4-OXOTETRAHYDROTHIOPHEN-2-YL]BENZALDEHYDE, OUTER PROTEIN H PHOSPHATASE Authors: Lountos, G.T, Kim, S.E, Bahta, M, Ulrich, R.G, Waugh, D.S, Burke, T.R. Deposit date: 2011-03-24 Release date: 2011-11-02 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.79 Å) Cite: Isothiazolidinone (Izd) as a Phosphoryl Mimetic in Inhibitors of the Yersinia Pestis Protein Tyrosine Phosphatase Yoph. Acta Crystallogr.,Sect.D, 67, 2011
2YK7	Structure of Neisseria LOS-specific sialyltransferase (NST), in complex with CMP-3F-Neu5Ac. Descriptor: 1,2-ETHANEDIOL, CMP-N-ACETYLNEURAMINATE-BETA-GALACTOSAMIDE-ALPHA-2,3-SIALYLTRANSFERASE, CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID, ... Authors: Lin, L.Y.C, Rakic, B, Chiu, C.P.C, Lameignere, E, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. Deposit date: 2011-05-25 Release date: 2011-08-31 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.18 Å) Cite: Structure and Mechanism of the Lipooligosaccharide Sialyltransferase from Neisseria Meningitidis J.Biol.Chem., 286, 2011
2Y6V	Peroxisomal alpha-beta-hydrolase Lpx1 (Yor084w) from Saccharomyces cerevisiae (crystal form I) Descriptor: PEROXISOMAL MEMBRANE PROTEIN LPX1, PHOSPHATE ION Authors: Thoms, S, Niemann, H.H. Deposit date: 2011-01-26 Release date: 2011-07-13 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.83 Å) Cite: The Unusual Extended C-Terminal Helix of the Peroxisomal Alpha-Beta-Hydrolase Lpx1 is Involved in Dimer Contacts But Dispensable for Dimerization J.Struct.Biol., 175, 2011
5FDL	Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899 Descriptor: P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate Authors: Dousson, C.B, Alexandre, F.-R, Convard, T, Fisher, M, Lamers, M.B.A.C, Leonard, P.M. Deposit date: 2015-12-16 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor. J.Med.Chem., 59, 2016
5FU0	Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... Authors: Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. Deposit date: 2016-01-19 Release date: 2017-02-22 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa. To be Published
5G1Q	Compressed conformation of Francisella tularensis ClpP at 2.84 A Descriptor: CLP PROTEASE PROTEOLYTIC SUBUNIT P Authors: Diaz-Saez, L, Hunter, W.N. Deposit date: 2016-03-29 Release date: 2016-10-19 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.84 Å) Cite: Open and compressed conformations of Francisella tularensis ClpP. Proteins, 85, 2017
2YFE	Ligand binding domain of human PPAR gamma in complex with amorfrutin 1 Descriptor: Amorfrutin 1, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA Authors: de Groot, J.C, Buessow, K. Deposit date: 2011-04-05 Release date: 2012-04-11 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Amorfrutins are Potent Antidiabetic Dietary Natural Products Proc.Natl.Acad.Sci.USA, 109, 2012
5GHY	Crystal structure of beta-lactamase PenP mutant-E166H in complex with cephaloridine as "post-acylation" intermediate Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase Authors: Pan, X, Zhao, Y. Deposit date: 2016-06-21 Release date: 2017-01-25 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystallographic Snapshots of Class A beta-Lactamase Catalysis Reveal Structural Changes That Facilitate beta-Lactam Hydrolysis J. Biol. Chem., 292, 2017
4WNA	Structure of the Nitrogenase MoFe Protein from Azotobacter vinelandii Pressurized with Xenon Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... Authors: Morrison, C.N, Hoy, J.A, Zhang, L, Einsle, O, Rees, D.C. Deposit date: 2014-10-11 Release date: 2015-03-18 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2 Å) Cite: Substrate Pathways in the Nitrogenase MoFe Protein by Experimental Identification of Small Molecule Binding Sites. Biochemistry, 54, 2015

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