8PZK
 
 | | Crystal structure of the Orange Carotenoid Protein 2 (OCP2) from Gloeocapsa sp. PCC 7428 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AZIDE ION, GLYCEROL, ... | | Authors: | Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Maksimov, E.G, Popov, V.O, Sluchanko, N.N. | | Deposit date: | 2023-07-27 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural framework for the understanding spectroscopic and functional signatures of the cyanobacterial Orange Carotenoid Protein families.
Int.J.Biol.Macromol., 254, 2024
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8TJ3
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8D0X
 | | Human FUT9 bound to LNnT | | Descriptor: | 1,2-ETHANEDIOL, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, GLYCEROL, ... | | Authors: | Kadirvelraj, R, Wood, Z.A. | | Deposit date: | 2022-05-26 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9.
Nat.Chem.Biol., 19, 2023
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7TG2
 | | [T:Ag+/Hg2+:T--(pH8.5-pH11; 90s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 8.5 and soaked in pH 11 for 90s | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | | Deposit date: | 2022-01-07 | | Release date: | 2023-01-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (4.37 Å) | | Cite: | Crystallographic pH Titration of Silver and Mercury Mediated DNA Base Pairs
To Be Published
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4XIG
 | | Crystal structure of bacterial alginate ABC transporter determined through humid air and glue-coating method | | Descriptor: | 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid, AlgM1, AlgM2, ... | | Authors: | Kaneko, A, Maruyama, Y, Mizuno, N, Baba, S, Kumasaka, T, Mikami, B, Murata, K, Hashimoto, W. | | Deposit date: | 2015-01-07 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.402 Å) | | Cite: | A solute-binding protein in the closed conformation induces ATP hydrolysis in a bacterial ATP-binding cassette transporter involved in the import of alginate.
J.Biol.Chem., 292, 2017
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8D0S
 | | Human FUT9 bound to GDP and LNnT | | Descriptor: | 1,2-ETHANEDIOL, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kadirvelraj, R, Wood, Z.A. | | Deposit date: | 2022-05-26 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9.
Nat.Chem.Biol., 19, 2023
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4XK2
 | | Crystal structure of aldo-keto reductase from Polaromonas sp. JS666 | | Descriptor: | Aldo/keto reductase, CHLORIDE ION, SODIUM ION | | Authors: | Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Sroka, P, Hillerich, B.S, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2015-01-09 | | Release date: | 2015-01-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of aldo-keto reductase from Polaromonas sp. JS666
to be published
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7QHM
 | | Cytochrome bcc-aa3 supercomplex (respiratory supercomplex III2/IV2) from Corynebacterium glutamicum (stigmatellin and azide bound) | | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, AZIDE ION, ... | | Authors: | Kao, W.-C, Hunte, C. | | Deposit date: | 2021-12-13 | | Release date: | 2022-05-18 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for safe and efficient energy conversion in a respiratory supercomplex.
Nat Commun, 13, 2022
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7QHO
 | | Cytochrome bcc-aa3 supercomplex (respiratory supercomplex III2/IV2) from Corynebacterium glutamicum (as isolated) | | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ... | | Authors: | Kao, W.-C, Hunte, C. | | Deposit date: | 2021-12-13 | | Release date: | 2022-05-18 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for safe and efficient energy conversion in a respiratory supercomplex
Nature Communications, 13, 2022
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5LBW
 | | Structure of the human quinone reductase 2 (NQO2) in complex with volitinib | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION, ... | | Authors: | Schneider, S, Medard, G, Kuester, B. | | Deposit date: | 2016-06-17 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The target landscape of clinical kinase drugs.
Science, 358, 2017
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8D0R
 | | Human FUT9 bound to GDP and H-Type 2 | | Descriptor: | 1,2-ETHANEDIOL, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kadirvelraj, R, Wood, Z.A. | | Deposit date: | 2022-05-26 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9.
Nat.Chem.Biol., 19, 2023
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8TDU
 | | STX-478, a Mutant-Selective, Allosteric Inhibitor bound to PI3Kalpha | | Descriptor: | N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Hilbert, B.J, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J. | | Deposit date: | 2023-07-05 | | Release date: | 2023-09-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts.
Cancer Discov, 13, 2023
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7QEZ
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6SLJ
 | | Structure of the RagAB peptide transporter | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ALA-SER-THR-THR-GLY-ALA-ASN-SER-GLN-ARG, ... | | Authors: | Madej, M, Ranson, N.A, White, J.B.R. | | Deposit date: | 2019-08-20 | | Release date: | 2020-05-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
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6SMR
 | | A. thaliana serine hydroxymethyltransferase isoform 4 (AtSHMT4) in complex with methotrexate | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, METHOTREXATE, ... | | Authors: | Ruszkowski, M, Sekula, B, Dauter, Z. | | Deposit date: | 2019-08-22 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models.
Sci Rep, 9, 2019
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7TFU
 | | [T:Ag+/Hg2+:T--(pH11-pH7; 30s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 11 and soaked in pH 7 for 30s | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | | Deposit date: | 2022-01-07 | | Release date: | 2023-01-25 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (4.55 Å) | | Cite: | Crystallographic pH Titration of Silver and Mercury Mediated DNA Base Pairs
To Be Published
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5LFR
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4XYN
 | | X-ray structure of Ca(2+)-S100B with human RAGE-derived W61 peptide | | Descriptor: | CALCIUM ION, Protein S100-B, Receptor for advanced glycation endproducts-derived peptide (W61) | | Authors: | Jensen, J.L, Indurthi, V.S.K, Neau, D, Vetter, S.W, Colbert, C.L. | | Deposit date: | 2015-02-02 | | Release date: | 2015-05-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural insights into the binding of the human receptor for advanced glycation end products (RAGE) by S100B, as revealed by an S100B-RAGE-derived peptide complex.
Acta Crystallogr.,Sect.D, 71, 2015
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4XJO
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead | | Descriptor: | 1,2-ETHANEDIOL, 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-inden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | | Authors: | Finzel, B.C, Dai, R. | | Deposit date: | 2015-01-08 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
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7TFY
 | | [T:Ag+/Hg2+:T--(pH11-pH7; 300s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 11 and soaked in pH 7 for 300s | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | | Deposit date: | 2022-01-07 | | Release date: | 2023-01-25 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (4.71 Å) | | Cite: | Crystallographic pH Titration of Silver and Mercury Mediated DNA Base Pairs
To Be Published
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5LBZ
 | | Structure of the human quinone reductase 2 (NQO2) in complex with pacritinib | | Descriptor: | 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Schneider, S, Medard, G, Kuster, B. | | Deposit date: | 2016-06-17 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The target landscape of clinical kinase drugs.
Science, 358, 2017
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6P43
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8ADW
 | | Lipidic alpha-synuclein fibril - polymorph L1C | | Descriptor: | Alpha-synuclein | | Authors: | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | | Deposit date: | 2022-07-11 | | Release date: | 2022-10-12 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | The 3D structure of lipidic fibrils of alpha-synuclein.
Nat Commun, 13, 2022
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8QA9
 | | Crystal structure of the RK2 plasmid encoded co-complex of the C-terminally truncated transcriptional repressor protein KorB complexed with the partner repressor protein KorA bound to OA-DNA | | Descriptor: | DNA (5'-D(*TP*GP*TP*TP*TP*AP*GP*CP*TP*AP*AP*AP*CP*A)-3'), SULFATE ION, Transcriptional repressor protein KorB, ... | | Authors: | McLean, T.C, Mundy, J.E.A, Lawson, D.M, Le, T.B.K. | | Deposit date: | 2023-08-22 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the RK2 plasmid encoded co-complex of the C-terminally truncated transcriptional repressor protein KorB complexed with the partner repressor protein KorA bound to OA-DNA
To Be Published
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8QA8
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