6UR7
 
 | | Crystal structure of Sel1 repeat protein from Oxalobacter formigenes | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | | Authors: | Chang, C, Tesar, C, Endres, M, Babnigg, G, Hassan, H, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2019-10-22 | | Release date: | 2020-10-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.709 Å) | | Cite: | Crystal structure of Sel1 repeat protein from Oxalobacter formigenes
To Be Published
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5WUE
 | | Structural basis for conductance through TRIC cation channels | | Descriptor: | SULFATE ION, Uncharacterized protein | | Authors: | Su, M, Gao, F, Mao, Y, Li, D.L, Guo, Y.Z, Wang, X.H, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS) | | Deposit date: | 2016-12-17 | | Release date: | 2017-06-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for conductance through TRIC cation channels.
Nat Commun, 8, 2017
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6F3E
 | | IRAK4 IN COMPLEX WITH inhibitor | | Descriptor: | 2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION | | Authors: | Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. | | Deposit date: | 2017-11-28 | | Release date: | 2018-05-23 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
Bioorg. Med. Chem., 26, 2018
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6FDW
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-356 | | Descriptor: | (4aS,8aR)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4- dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, GLYCEROL, GUANIDINE, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2017-12-27 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | TbrPDEB1 structure with inhibitor NPD-356
To be published
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5V9X
 | | Structure of Mycobacterium smegmatis helicase Lhr bound to ssDNA and AMP-PNP | | Descriptor: | ATP-dependent DNA helicase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Ordonez, H, Jacewicz, A, Ferrao, R, Shuman, S. | | Deposit date: | 2017-03-23 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.797 Å) | | Cite: | Structure of mycobacterial 3'-to-5' RNA:DNA helicase Lhr bound to a ssDNA tracking strand highlights distinctive features of a novel family of bacterial helicases.
Nucleic Acids Res., 46, 2018
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5ULL
 | | CLOSTRIDIUM BEIJERINCKII FLAVODOXIN: REDUCED | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | | Authors: | Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R. | | Deposit date: | 1997-01-09 | | Release date: | 1997-03-12 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
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5YZN
 | | Crystal structure of S9 peptidase (active form) from Deinococcus radiodurans R1 | | Descriptor: | Acyl-peptide hydrolase, putative | | Authors: | Yadav, P, Jamdar, S.N, Kumar, A, Ghosh, B, Makde, R.D. | | Deposit date: | 2017-12-15 | | Release date: | 2018-11-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms.
J.Biol.Chem., 294, 2019
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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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5ZF1
 | | Molecular structure of a novel 5,10-methylenetetrahydrofolate dehydrogenase from the silkworm, Bombyx mori | | Descriptor: | 1,2-ETHANEDIOL, 5,10-methylenetetrahydrofolate dehydrogenase, SULFATE ION | | Authors: | Haque, R, Higashiura, A, Nakagawa, A, Yamamoto, K. | | Deposit date: | 2018-03-02 | | Release date: | 2019-01-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Molecular structure of a 5,10-methylenetetrahydrofolate dehydrogenase from the silkwormBombyx mori.
FEBS Open Bio, 9, 2019
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6GNW
 | | Crystal Structure Of Sea Bream Transthyretin in complex with 2,4,5-trichlorophenoxyacetic acid (2,4,5-T) | | Descriptor: | 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid, Transthyretin | | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | | Deposit date: | 2018-05-31 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
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8SUJ
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5ZF9
 | | Structure of human dihydroorotate dehydrogenase in complex with 280-12 | | Descriptor: | 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. | | Deposit date: | 2018-03-02 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
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4ZSI
 | | Crystal structure of the effector-binding domain of DasR (DasR-EBD) in complex with glucosamine-6-phosphate | | Descriptor: | 1,2-ETHANEDIOL, 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, 2-amino-2-deoxy-6-O-phosphono-beta-D-glucopyranose, ... | | Authors: | Fillenberg, S.B, Koerner, S, Muller, Y.A. | | Deposit date: | 2015-05-13 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.652 Å) | | Cite: | Crystal Structures of the Global Regulator DasR from Streptomyces coelicolor: Implications for the Allosteric Regulation of GntR/HutC Repressors.
Plos One, 11, 2016
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8SYF
 | | Homology model of Acto-HMM complex in ADP-state. Chicken smooth muscle HMM and chicken pectoralis actin | | Descriptor: | Actin, alpha skeletal muscle, Myosin light polypeptide 6, ... | | Authors: | Hojjatian, A, Taylor, D.W, Daneshparvar, N, Trybus, K.M, Taylor, K.A. | | Deposit date: | 2023-05-25 | | Release date: | 2023-08-30 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (19 Å) | | Cite: | Double-headed binding of myosin II to F-actin shows the effect of strain on head structure.
J.Struct.Biol., 215, 2023
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4ZSO
 | | Crystal structure of a complex between B7-H6, a tumor cell ligand for natural cytotoxicity receptor NKp30, and an inhibitory antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ... | | Authors: | Xu, X, Li, Y, Mariuzza, R.A. | | Deposit date: | 2015-05-13 | | Release date: | 2016-05-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a complex between B7-H6, a tumor cell ligand for natural cytotoxicity receptor NKp30, and an inhibitory antibody
to be published
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8CI8
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6GOT
 | | Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(phenethylthio)benzenesulfonamide | | Descriptor: | 4-(2-phenylethylsulfanyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Ferraroni, M, Supuran, C.T, Angeli, A. | | Deposit date: | 2018-06-04 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Synthesis of different thio-scaffolds bearing sulfonamide with subnanomolar carbonic anhydrase II and IX inhibitory properties and X-ray investigations for their inhibitory mechanism.
Bioorg. Chem., 81, 2018
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3M9G
 | | Crystal structure of the three-PASTA-domain of a Ser/Thr kinase from Staphylococcus aureus | | Descriptor: | Protein kinase, ZINC ION | | Authors: | Paracuellos, P, Ballandras, A, Robert, X, Creze, C, Cozzone, A.J, Duclos, B, Gouet, P. | | Deposit date: | 2010-03-22 | | Release date: | 2010-11-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The Extended Conformation of the 2.9-A Crystal Structure of the Three-PASTA Domain of a Ser/Thr Kinase from the Human Pathogen Staphylococcus aureus
J.Mol.Biol., 404, 2010
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8TFQ
 | | Fab from C10-S66K antibody in complex with fentanyl | | Descriptor: | Heavy chain from Fab of C10_S66K antibody, Light chain from Fab of C10_S66K antibody, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | | Authors: | Pholcharee, T, Wilson, I.A. | | Deposit date: | 2023-07-11 | | Release date: | 2023-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An Engineered Human-Antibody Fragment with Fentanyl Pan-Specificity That Reverses Carfentanil-Induced Respiratory Depression.
Acs Chem Neurosci, 14, 2023
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6FK5
 | | Structure of 3' phosphatase NExo (D146N) from Neisseria bound to DNA substrate in presence of magnesium ion | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(P*CP*TP*AP*GP*CP*GP*AP*AP*GP*CP*TP*AP*GP*A)-3'), MAGNESIUM ION, ... | | Authors: | Silhan, J, Zhao, Q, Boura, E, Thomson, H, Foster, A, Tang, C.M, Freemont, P.S, Baldwin, G.S. | | Deposit date: | 2018-01-23 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural basis for recognition and repair of the 3'-phosphate by NExo, a base excision DNA repair nuclease from Neisseria meningitidis.
Nucleic Acids Res., 46, 2018
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4UCY
 | | X-ray structure and activities of an essential Mononegavirales L- protein domain | | Descriptor: | RNA-DIRECTED RNA POLYMERASE L, SULFATE ION, ZINC ION | | Authors: | Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M. | | Deposit date: | 2014-12-05 | | Release date: | 2015-11-18 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
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6UWB
 | | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-08513 | | Descriptor: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, Protease | | Authors: | Yedidi, R.S, Hayashi, H, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2019-11-05 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fluorine Modifications Contribute to Potent Antiviral Activity against Highly Drug-Resistant HIV-1 and Favorable Blood-Brain Barrier Penetration Property of Novel Central Nervous System-Targeting HIV-1 Protease Inhibitors In Vitro.
Antimicrob.Agents Chemother., 66, 2022
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6F95
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5ZIE
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8CH9
 | | Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to arsenic oxyanion | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ARSENATE, ... | | Authors: | Engrola, F, Correia, M.A.S, Romao, M.J, Santos-Silva, T. | | Deposit date: | 2023-02-07 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to arsenic oxyanion
To Be Published
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