PDB: 225399 resultsInfo pagesStatus searchChemie searchBIRD

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8AK6	Human Sirt6 in complex with ADP-ribose and fragment sulfamethoxazole Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AK9	Human Sirt6 in complex with ADP-ribose and fragment Isatin Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AK7	Human Sirt6 in complex with ADP-ribose and fragment 6-O-methylguanine Descriptor: 1,2-ETHANEDIOL, 6-O-methylguanine, CHLORIDE ION, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.81 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AKA	Human Sirt6 in complex with ADP-ribose and fragment cis-resveratrol Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
3W40	Crystal structure of RsbX in complex with magnesium in space group P1 Descriptor: MAGNESIUM ION, Phosphoserine phosphatase RsbX Authors: Teh, A.H, Makino, M, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T. Deposit date: 2013-01-04 Release date: 2014-01-22 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis Acta Crystallogr.,Sect.D, 71, 2015
4HSJ	1.88 angstrom x-ray crystal structure of piconlinic-bound 3-hydroxyanthranilate-3,4-dioxygenase Descriptor: 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION, PYRIDINE-2-CARBOXYLIC ACID Authors: Liu, F, Chen, L, Davis, C.I, Liu, A. Deposit date: 2012-10-30 Release date: 2015-05-06 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.883 Å) Cite: An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015
8AKE	Human Sirt6 in complex with ADP-ribose and fragment nicotinamide Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
4HUQ	Crystal Structure of a transporter Descriptor: Energy-coupling factor transporter ATP-binding protein EcfA 1, Energy-coupling factor transporter ATP-binding protein EcfA 2, Energy-coupling factor transporter transmembrane protein EcfT, ... Authors: Zhang, P, Xu, K, Zhang, M, Zhao, Q, Yu, F. Deposit date: 2012-11-03 Release date: 2013-04-17 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.998 Å) Cite: Crystal structure of a folate energy-coupling factor transporter from Lactobacillus brevis. Nature, 497, 2013
4I25	2.00 Angstroms X-ray crystal structure of NAD- and substrate-bound 2-aminomuconate 6-semialdehyde dehydrogenase from Pseudomonas fluorescens Descriptor: (2E,4E)-2-amino-6-oxohexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... Authors: Huo, L, Davis, I, Chen, L, Liu, A. Deposit date: 2012-11-21 Release date: 2014-05-21 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action. Nat Commun, 6, 2015
4KVH	Crystal structure of ketosteroid isomerase fold protein Hmuk_0747 Descriptor: BROMIDE ION, CACODYLATE ION, FORMIC ACID, ... Authors: Chang, C, Holowicki, J, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) Deposit date: 2013-05-22 Release date: 2013-06-12 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.61 Å) Cite: Crystal structure of ketosteroid isomerase fold protein Hmuk_0747 To be Published
4KY7	Crystal structure of Staphylococcal nuclease variant Delta+PHS V74D at cryogenic temperature Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease Authors: Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B. Deposit date: 2013-05-28 Release date: 2013-06-12 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Crystal structure of Staphylococcal nuclease variant Delta+PHS V74D at cryogenic temperature To be Published
8AK8	Human Sirt6 in complex with ADP-ribose and fragment 4-hydroxybenzamide Descriptor: 4-HYDROXYBENZAMIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AKG	Human Sirt6 in complex with ADP-ribose and fragment 4-amino-6-chlorobenzene-1,3-disulfonamide Descriptor: 1,2-ETHANEDIOL, 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, CHLORIDE ION, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
4I3J	Structures of PR1 intermediate of photoactive yellow protein E46Q mutant from time-resolved laue crystallography collected AT 14ID APS Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein Authors: Jung, Y.O, Lee, J.H, Kim, J, Schmidt, M, Vukica, S, Moffat, K, Ihee, H. Deposit date: 2012-11-26 Release date: 2013-03-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Volume-conserving trans-cis isomerization pathways in photoactive yellow protein visualized by picosecond X-ray crystallography NAT.CHEM., 5, 2013
4KZZ	Rabbit 40S ribosomal subunit in complex with mRNA, initiator tRNA and eIF1A Descriptor: 18S Ribosomal RNA, 40S Ribosomal Protein RACK1, 40S Ribosomal Protein S10, ... Authors: Lomakin, I.B, Steitz, T.A. Deposit date: 2013-05-30 Release date: 2013-07-24 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (7.0305 Å) Cite: The initiation of mammalian protein synthesis and mRNA scanning mechanism. Nature, 500, 2013
4I8J	Bovine trypsin at 0.87 A resolution Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... Authors: Dauter, Z, Liebschner, D, Dauter, M, Brzuszkiewicz, A. Deposit date: 2012-12-03 Release date: 2012-12-19 Last modified: 2013-09-18 Method: X-RAY DIFFRACTION (0.87 Å) Cite: On the reproducibility of protein crystal structures: five atomic resolution structures of trypsin. Acta Crystallogr.,Sect.D, 69, 2013
4L2N	Understanding Extradiol Dioxygenase Mechanism in NAD+ Biosynthesis by Viewing Catalytic Intermediates - ligand-free structure Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, CHLORIDE ION, ... Authors: Liu, F, Liu, A. Deposit date: 2013-06-04 Release date: 2015-05-06 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.74 Å) Cite: An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015
4IA9	Crystal structure of human WD REPEAT DOMAIN 5 in complex with 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide Descriptor: 1,2-ETHANEDIOL, 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ... Authors: Dong, A, Dombrovski, L, Bolshan, Y, Getlik, M, Tempel, W, Kuznetsova, E, Wasney, G.A, Hajian, T, Poda, G, Nguyen, K.T, Schapira, M, Brown, P.J, Al-awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Smil, D, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) Deposit date: 2012-12-06 Release date: 2012-12-26 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.66 Å) Cite: Synthesis, Optimization, and Evaluation of Novel Small Molecules as Antagonists of WDR5-MLL Interaction. ACS Med Chem Lett, 4, 2013
4HSL	2.00 angstrom x-ray crystal structure of substrate-bound E110A 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans Descriptor: 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION Authors: Liu, F, Chen, L, Liu, A. Deposit date: 2012-10-30 Release date: 2013-11-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2 Å) Cite: 2.00 angstrom x-ray crystal structure of substrate-bound E110A 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans To be Published
4HMX	Crystal structure of PhzG from Burkholderia lata 383 in complex with tetrahydrophenazine-1-carboxylic acid Descriptor: (1R,10aS)-1,2,10,10a-tetrahydrophenazine-1-carboxylic acid, FLAVIN MONONUCLEOTIDE, Pyridoxamine 5'-phosphate oxidase Authors: Xu, N.N, Ahuja, E.G, Blankenfeldt, W. Deposit date: 2012-10-18 Release date: 2013-08-07 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Trapped intermediates in crystals of the FMN-dependent oxidase PhzG provide insight into the final steps of phenazine biosynthesis Acta Crystallogr.,Sect.D, 69, 2013
4LC5	Structural basis of substrate specificity of CDA superfamily guanine deaminase Descriptor: 1,2-ETHANEDIOL, 9-METHYLGUANINE, Cytidine and deoxycytidylate deaminase zinc-binding region, ... Authors: Bitra, A, Biswas, A, Anand, R. Deposit date: 2013-06-21 Release date: 2014-01-22 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Structural basis of the substrate specificity of cytidine deaminase superfamily Guanine deaminase Biochemistry, 52, 2013
4J21	Tankyrase 2 in complex with 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one Descriptor: 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one, SULFATE ION, Tankyrase-2, ... Authors: Jansson, A.E, Larsson, E.A, Nordlund, P.L. Deposit date: 2013-02-04 Release date: 2013-06-26 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Fragment-based ligand design of novel potent inhibitors of tankyrases. J.Med.Chem., 56, 2013
4LD2	Crystal structure of NE0047 in complex with cytidine Descriptor: 1,2-ETHANEDIOL, 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, Cytidine and deoxycytidylate deaminase zinc-binding region, ... Authors: Bitra, A, Biswas, A, Anand, R. Deposit date: 2013-06-24 Release date: 2014-01-22 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Structural basis of the substrate specificity of cytidine deaminase superfamily Guanine deaminase Biochemistry, 52, 2013
4LD6	PWWP domain of human PWWP Domain-Containing Protein 2B Descriptor: GLYCEROL, PWWP domain-containing protein 2B, UNKNOWN ATOM OR ION Authors: Dong, A, Dombrovski, L, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) Deposit date: 2013-06-24 Release date: 2013-07-17 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure of PWWP domain of human PWWP Domain-Containing Protein 2B To be Published
4ITO	Human CA II inhibition by novel sulfonamide Descriptor: 4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Aggarwal, M, McKenna, R. Deposit date: 2013-01-18 Release date: 2014-03-26 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.162 Å) Cite: Human CA II inhibition by novel sulfonamide To be Published

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