8GEV
 
 | | Crystal structure of human cellular retinol binding protein 1 in complex with 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine | | Descriptor: | 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine, Retinol-binding protein 1 | | Authors: | Plau, J, Golczak, M. | | Deposit date: | 2023-03-07 | | Release date: | 2023-10-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
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5NCU
 | | Structure of the subtilisin induced serpin-type proteinase inhibitor, miropin. | | Descriptor: | CHLORIDE ION, GLYCEROL, IODIDE ION, ... | | Authors: | Goulas, T, Ksiazek, M, Garcia-Ferrer, I, Mizgalska, D, Potempa, J, Gomis-Ruth, X. | | Deposit date: | 2017-03-06 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A structure-derived snap-trap mechanism of a multispecific serpin from the dysbiotic human oral microbiome.
J. Biol. Chem., 292, 2017
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8GEU
 | | Crystal structure of human cellular retinol binding protein 1 in complex with methyl({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)[(1-methylpyrazol-4-yl)methyl]amine | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine, Retinol-binding protein 1 | | Authors: | Plau, J, Golczak, M. | | Deposit date: | 2023-03-07 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
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2RNF
 | | X-RAY CRYSTAL STRUCTURE OF HUMAN RIBONUCLEASE 4 IN COMPLEX WITH D(UP) | | Descriptor: | 2'-DEOXYURIDINE 3'-MONOPHOSPHATE, RIBONUCLEASE 4 | | Authors: | Terzyan, S.S, Peracaula, R, De Llorens, R, Tsushima, Y, Yamada, H, Seno, M, Gomis-Ruth, F.X, Coll, M. | | Deposit date: | 1998-11-03 | | Release date: | 1999-11-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The three-dimensional structure of human RNase 4, unliganded and complexed with d(Up), reveals the basis for its uridine selectivity.
J.Mol.Biol., 285, 1999
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5NFH
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with a quinazolinone inhibitor | | Descriptor: | 2-[3-[[4,6-bis(chloranyl)-1~{H}-indol-2-yl]methylamino]propylamino]-3~{H}-quinazolin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Robinson, D.A, Eadsforth, T.C, Shepherd, S.M, Torrie, L.S, De Rycker, M, Gilbert, I.H. | | Deposit date: | 2017-03-14 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Chemical Validation of Methionyl-tRNA Synthetase as a Druggable Target in Leishmania donovani.
ACS Infect Dis, 3, 2017
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5NA6
 | | Structure of Cys-null Se-Met DPP III from Bacteroides thetaiotaomicron | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETATE ION, ... | | Authors: | Sabljic, I, Luic, M. | | Deposit date: | 2017-02-27 | | Release date: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of dipeptidyl peptidase III from the human gut symbiont Bacteroides thetaiotaomicron.
PLoS ONE, 12, 2017
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6AQJ
 | | Crystal structures of Staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity. | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Ketol-acid reductoisomerase (NADP(+)), ... | | Authors: | Patel, K.M, Teran, D, Zheng, S, Gracia, M, Lv, Y, Schembri, M.A, McGeary, R.P, Schenk, G, Guddat, L.W. | | Deposit date: | 2017-08-20 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.373 Å) | | Cite: | Crystal Structures of Staphylococcus aureus Ketol-Acid Reductoisomerase in Complex with Two Transition State Analogues that Have Biocidal Activity.
Chemistry, 23, 2017
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5NCT
 | | Structure of the trypsin induced serpin-type proteinase inhibitor, miropin. | | Descriptor: | ASPARTIC ACID, GLYCEROL, SERINE, ... | | Authors: | Goulas, T, Ksiazek, M, Garcia-Ferrer, I, Mizgalska, D, Potempa, J, Gomis-Ruth, X. | | Deposit date: | 2017-03-06 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A structure-derived snap-trap mechanism of a multispecific serpin from the dysbiotic human oral microbiome.
J. Biol. Chem., 292, 2017
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2RVO
 | | Solution structure of a reverse transcriptase recognition site of a LINE RNA from zebrafish | | Descriptor: | RNA (34-MER) | | Authors: | Otsu, M, Norose, N, Arai, N, Terao, R, Kajikawa, M, Okada, N, Kawai, G. | | Deposit date: | 2016-02-03 | | Release date: | 2017-02-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a reverse transcriptase recognition site of a LINE RNA from zebrafish.
J. Biochem., 162, 2017
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2RSK
 | | RNA aptamer against prion protein in complex with the partial binding peptide | | Descriptor: | RNA (5'-R(*GP*GP*AP*GP*GP*AP*GP*GP*AP*GP*GP*A)-3'), partial binding peptide of Major prion protein | | Authors: | Mashima, T, Nishikawa, F, Kamatari, Y.O, Fujiwara, H, Nishikawa, S, Kuwata, K, Katahira, M. | | Deposit date: | 2012-03-08 | | Release date: | 2013-02-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Anti-prion activity of an RNA aptamer and its structural basis
Nucleic Acids Res., 41, 2013
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6HBN
 | | HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA/CSKN2A1 GENE PRODUCT) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 | | Descriptor: | 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Niefind, K, Hochscherf, J, Dimper, V, Witulski, B, Lindenblatt, D, Jose, J, Le Borgne, M. | | Deposit date: | 2018-08-10 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
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6FN2
 | | X-ray structure of animal-like Cryptochrome from Chlamydomonas reinhardtii | | Descriptor: | 8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-5-DEAZAISOALLOXAZINE, CHLORIDE ION, Cryptochrome photoreceptor, ... | | Authors: | Franz, S, Ignatz, E, Wenzel, S, Zielosko, H, Yamamoto, J, Mittag, M, Essen, L.-O. | | Deposit date: | 2018-02-02 | | Release date: | 2018-08-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the bifunctional cryptochrome aCRY from Chlamydomonas reinhardtii.
Nucleic Acids Res., 46, 2018
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7A4L
 | | PRE-only solution structure of the Iron-Sulfur protein PioC from Rhodopseudomonas palustris TIE-1 | | Descriptor: | IRON/SULFUR CLUSTER, PioC | | Authors: | Trindade, I, Invernici, M, Cantini, F, Louro, R, Piccioli, M. | | Deposit date: | 2020-08-19 | | Release date: | 2020-11-11 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | PRE-driven protein NMR structures: an alternative approach in highly paramagnetic systems.
Febs J., 288, 2021
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2RHE
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6T3R
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6HG7
 | | Crystal structure of a collagen II fragment containing the binding site of PEDF and COMP, (POG)4-LKG HRG FTG LQG-POG(4) | | Descriptor: | Collagen alpha-1(II) chain, SULFATE ION | | Authors: | Gebauer, J.M, Koehler, A, Dietmar, H, Gompert, M, Neundorf, I, Zaucke, F, Koch, M, Baumann, U. | | Deposit date: | 2018-08-22 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | COMP and TSP-4 interact specifically with the novel GXKGHR motif only found in fibrillar collagens.
Sci Rep, 8, 2018
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5JAI
 | | Yersinia pestis FabV variant T276G | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | | Authors: | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | | Deposit date: | 2016-04-12 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
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1WTL
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6FQ6
 | | Class 2 : distorted nucleosome | | Descriptor: | DNA (147-MER), Histone H2A, Histone H2B, ... | | Authors: | Bilokapic, S, Halic, M. | | Deposit date: | 2018-02-13 | | Release date: | 2018-04-18 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural rearrangements of the histone octamer translocate DNA.
Nat Commun, 9, 2018
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5NKN
 | | Crystal structure of an Anticalin-colchicine complex | | Descriptor: | N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide, Neutrophil gelatinase-associated lipocalin | | Authors: | Skerra, A, Eichinger, A, Barkovskiy, M. | | Deposit date: | 2017-03-31 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An engineered lipocalin that tightly complexes the plant poison colchicine for use as antidote and in bioanalytical applications.
Biol. Chem., 400, 2019
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1X7Y
 | | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | | Descriptor: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | | Authors: | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | | Deposit date: | 2004-08-16 | | Release date: | 2004-11-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation
Structure, 12, 2004
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6G0I
 | | Active Fe-PP1 | | Descriptor: | FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Salvi, F, Barabas, O, Koehn, M. | | Deposit date: | 2018-03-18 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Effects of stably incorporated iron on protein phosphatase-1 structure and activity.
FEBS Lett., 592, 2018
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6T7X
 | | Crystal structure of PCNA from P. abyssi | | Descriptor: | DNA polymerase sliding clamp | | Authors: | Madru, C, Raia, P, Hugonneau Beaufet, I, Delarue, M, Carroni, M, Sauguet, L. | | Deposit date: | 2019-10-23 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for the increased processivity of D-family DNA polymerases in complex with PCNA.
Nat Commun, 11, 2020
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6HCK
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with dipeptide Leu-Leu | | Descriptor: | LEUCINE, Listeriolysin regulatory protein, SODIUM ION | | Authors: | Grundstrom, C, Oelker, M, Krypotou, E, Scortti, M, Luisi, B.F, Vazquez-Boland, J, Sauer-Eriksson, A.E. | | Deposit date: | 2018-08-15 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Control of Bacterial Virulence through the Peptide Signature of the Habitat.
Cell Rep, 26, 2019
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2RQL
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