5C7Q
| Crystal Structure of the Bdellovibrio bacteriovorus Nucleoside Diphosphate Sugar Hydrolase | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Gabelli, S.B, de la Pena, A.H, Suarez, A, Amzel, L.M. | Deposit date: | 2015-06-24 | Release date: | 2016-01-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structural and Enzymatic Characterization of a Nucleoside Diphosphate Sugar Hydrolase from Bdellovibrio bacteriovorus. Plos One, 10, 2015
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8PWS
| Dye-decolourising peroxidase DtpB (56 kGy) | Descriptor: | MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lucic, M, Worrall, J.A.R, Hough, M.A, Owen, R.L, Strange, R.W. | Deposit date: | 2023-07-21 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Dye-decolourising peroxidase DtpB (56 kGy) To Be Published
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6U4R
| Crystal structure of Equine Serum Albumin complex with ketoprofen | Descriptor: | (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid, SULFATE ION, Serum albumin, ... | Authors: | Czub, M.P, Handing, K.B, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-08-26 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma. J.Med.Chem., 63, 2020
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5G5G
| Escherichia coli Periplasmic Aldehyde Oxidase | Descriptor: | ACETATE ION, CHLORIDE ION, DIOXOTHIOMOLYBDENUM(VI) ION, ... | Authors: | Correia, M.A.S, Otrelo-Cardoso, A.R, Romao, M.J, Santos-Silva, T. | Deposit date: | 2016-05-25 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Escherichia Coli Periplasmic Aldehyde Oxidoreductase is an Exceptional Member of the Xanthine Oxidase Family of Molybdoenzymes. Acs Chem.Biol., 11, 2016
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4XYC
| NANOMOLAR INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE 1: SYNTHESIS, BIOLOGICAL EVALUATION AND X-RAY CRYSTALLOGRAPHIC STUDIES | Descriptor: | 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one, Glutamine synthetase 1 | Authors: | Couturier, C, Silve, S, Morales, R, Ppessegue, B, Llopart, S, Nair, A, Bauer, A, Scheiper, B, poeverlein, c, Ganzhorn, A, Lagrange, S, Bacque, E. | Deposit date: | 2015-02-02 | Release date: | 2015-03-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Nanomolar inhibitors of Mycobacterium tuberculosis glutamine synthetase 1: Synthesis, biological evaluation and X-ray crystallographic studies. Bioorg.Med.Chem.Lett., 25, 2015
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4Y37
| Endothiapepsin in complex with fragement 305 | Descriptor: | 4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol, ACETATE ION, Endothiapepsin, ... | Authors: | Krimmer, S.G, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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6S25
| Crystal Structure of the first bromodomain of BRD4 in complex with a benzodiazepine ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{tert}-butyl ~{N}-[3-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate | Authors: | Picaud, S, Traquete, R, Bernardes, G.J.L, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-20 | Release date: | 2019-07-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal Structure of the first bromodomain of BRD4 in complex with a benzodiazepine ligand To Be Published
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4X9J
| EGR-1 with Doubly Methylated DNA | Descriptor: | DNA (5'-D(*AP*GP*(5CM)P*GP*TP*GP*GP*GP*(5CM)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*(5CM)P*GP*C)-3'), Early growth response protein 1, ... | Authors: | White, M.A, Zandarashvili, L, Iwahara, J. | Deposit date: | 2014-12-11 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.412 Å) | Cite: | Structural impact of complete CpG methylation within target DNA on specific complex formation of the inducible transcription factor Egr-1. Febs Lett., 589, 2015
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7TL4
| Crystal Structure of Yeast p58C Multi-Tyrosine Mutant 6YF | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA primase large subunit, IRON/SULFUR CLUSTER | Authors: | Blee, A.M, Salay, L.E, Chazin, W.J. | Deposit date: | 2022-01-18 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.805 Å) | Cite: | Modification of the 4Fe-4S Cluster Charge Transport Pathway Alters RNA Synthesis by Yeast DNA Primase. Biochemistry, 61, 2022
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5KA5
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4X9P
| Crystal structure of bovine Annexin A2 | Descriptor: | Annexin A2, CALCIUM ION, CHLORIDE ION | Authors: | Shumilin, I.A, Hollas, H, Vedeler, A, Kretsinger, R.H. | Deposit date: | 2014-12-11 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The native structure of annexin A2 peptides in hydrophilic environment determines their anti-angiogenic effects. Biochem. Pharmacol., 95, 2015
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4QRT
| Crystal Structure of HLA B*0801 in complex with ELN_YYM, ELNRKMIYM | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Gras, S, Twist, K.-A, Rossjohn, J. | Deposit date: | 2014-07-02 | Release date: | 2014-07-16 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular imprint of exposure to naturally occurring genetic variants of human cytomegalovirus on the T cell repertoire. Sci Rep, 4, 2014
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7MJR
| Vip4Da2 toxin structure | Descriptor: | CALCIUM ION, SULFATE ION, Vip4Da1 protein | Authors: | Rydel, T.J, Duda, D, Zheng, M, Henry, A. | Deposit date: | 2021-04-20 | Release date: | 2021-05-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Structural and functional insights into the first Bacillus thuringiensis vegetative insecticidal protein of the Vpb4 fold, active against western corn rootworm. Plos One, 16, 2021
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4Y3A
| Endothiapepsin in complex with fragment 181 | Descriptor: | 1,2-ETHANEDIOL, 6-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl}-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | Authors: | Ehrmann, F.R, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Crystallographic Fragment Sreening of an Entire Library To Be Published
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4QS5
| CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 (TARGET EFI-505250) WITH BOUND MANGANESE AND 3-methoxy-4-hydroxy-5-nitrobenzoic acid, THE D314N MUTANT | Descriptor: | 4-hydroxy-3-methoxy-5-nitrobenzoic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Raushel, M, Almo, S.C. | Deposit date: | 2014-07-02 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of 5-CARBOXYVANILLATE Decarboxylase from Novosphingobium Aromaticivorans To be Published
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7TL2
| Crystal Structure of Yeast p58C Multi-Tyrosine Mutant 5YF412 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA primase large subunit, GLYCEROL, ... | Authors: | Blee, A.M, Salay, L.E, Chazin, W.J. | Deposit date: | 2022-01-18 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.529 Å) | Cite: | Modification of the 4Fe-4S Cluster Charge Transport Pathway Alters RNA Synthesis by Yeast DNA Primase. Biochemistry, 61, 2022
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5GMD
| Crystal structure of Sulfolobus solfataricus diphosphomevalonate decarboxylase in complex with ATP-gamma-S | Descriptor: | (3R)-3-HYDROXY-5-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}-3-METHYLPENTANOIC ACID, ADENOSINE MONOPHOSPHATE, Diphosphomevalonate decarboxylase, ... | Authors: | Unno, H, Hemmi, H, Hattori, A. | Deposit date: | 2016-07-13 | Release date: | 2016-12-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Single Amino Acid Mutation Converts (R)-5-Diphosphomevalonate Decarboxylase into a Kinase J. Biol. Chem., 292, 2017
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8PWY
| Dye-decolourising peroxidase DtpB (112 kGy) | Descriptor: | MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lucic, M, Worrall, J.A.R, Hough, M.A, Owen, R.L, Strange, R.W. | Deposit date: | 2023-07-21 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Dye-decolourising peroxidase DtpB (56 kGy) To Be Published
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6HWX
| Mature MLV capsid hexamer structure in intact virus particles | Descriptor: | Putative gag polyprotein | Authors: | Qu, K, Glass, B, Dolezal, M, Schur, F.K.M, Rein, A, Rumlova, M, Ruml, T, Kraeusslich, H.G, Briggs, J.A.G. | Deposit date: | 2018-10-15 | Release date: | 2018-12-05 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (7.2 Å) | Cite: | Structure and architecture of immature and mature murine leukemia virus capsids. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4XB4
| Structure of the N-terminal domain of OCP binding canthaxanthin | Descriptor: | Orange carotenoid-binding protein, beta,beta-carotene-4,4'-dione | Authors: | Kerfeld, C.A, Sutter, M, Leverenz, R.L. | Deposit date: | 2014-12-16 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.544 Å) | Cite: | PHOTOSYNTHESIS. A 12 angstrom carotenoid translocation in a photoswitch associated with cyanobacterial photoprotection. Science, 348, 2015
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4QPN
| Crystal Structure of Human Methyltransferase-Like Protein 21B | Descriptor: | Protein-lysine methyltransferase METTL21B, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | Authors: | Tempel, W, Hong, B.S, Seitova, A, He, H, Li, Y, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-24 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal Structure of Human Methyltransferase-Like Protein 21B TO BE PUBLISHED
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7GS4
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-27 | Descriptor: | 3C-like proteinase nsp5, 7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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4XBG
| Crystal structure of human 4E10 Fab in complex with phosphatidic acid (06:0 PA): 2.73 A resolution | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 4E10 Fab heavy chain, 4E10 Fab light chain, ... | Authors: | Irimia, A, Stanfield, R.L, Wilson, I.A. | Deposit date: | 2014-12-16 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10. Immunity, 44, 2016
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7ZSK
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6AFK
| Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor | Descriptor: | N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide, S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Zhong, W, Koay, A, Wong, Y.W, Sahili, A.E, Nah, Q, Kang, C, Poulsen, A, Chionh, Y.K, McBee, M, Matter, A, Hill, J, Lescar, J, Dedon, P.C. | Deposit date: | 2018-08-08 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Targeting the Bacterial Epitranscriptome for Antibiotic Development: Discovery of Novel tRNA-(N1G37) Methyltransferase (TrmD) Inhibitors. Acs Infect Dis., 5, 2019
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