8CM6
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![BU of 8cm6 by Molmil](/molmil-images/mine/8cm6) | W-formate dehydrogenase C872A from Desulfovibrio vulgaris - with Formamide | 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, CHLORIDE ION, ... | Authors: | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | Deposit date: | 2023-02-17 | Release date: | 2023-09-27 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.416 Å) | Cite: | An allosteric redox switch involved in oxygen protection in a CO 2 reductase. Nat.Chem.Biol., 20, 2024
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6YNY
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![BU of 6yny by Molmil](/molmil-images/mine/6yny) | Cryo-EM structure of Tetrahymena thermophila mitochondrial ATP synthase - F1Fo composite dimer model | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Kock Flygaard, R, Muhleip, A, Amunts, A. | Deposit date: | 2020-04-14 | Release date: | 2020-09-30 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Type III ATP synthase is a symmetry-deviated dimer that induces membrane curvature through tetramerization. Nat Commun, 11, 2020
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8CAK
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![BU of 8cak by Molmil](/molmil-images/mine/8cak) | Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M41 | Descriptor: | 1,2-ETHANEDIOL, 15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one, DIMETHYL SULFOXIDE, ... | Authors: | Reis, J, Mattevi, A. | Deposit date: | 2023-01-24 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Targeting ROS production through inhibition of NADPH oxidases. Nat.Chem.Biol., 19, 2023
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8CM5
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![BU of 8cm5 by Molmil](/molmil-images/mine/8cm5) | W-formate dehydrogenase C872A from Desulfovibrio vulgaris | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, Formate dehydrogenase, ... | Authors: | Vilela-Alves, G, Mota, C, Klymanska, K, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | Deposit date: | 2023-02-17 | Release date: | 2023-09-27 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | An allosteric redox switch involved in oxygen protection in a CO 2 reductase. Nat.Chem.Biol., 20, 2024
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7N99
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![BU of 7n99 by Molmil](/molmil-images/mine/7n99) | SDE2 SAP domain apo structure | Descriptor: | Isoform 2 of Replication stress response regulator SDE2 | Authors: | Paung, Y, Weinheimer, A.S, Rageul, J, Khan, A, Ho, B, Tong, M, Alphonse, S, Seeliger, M.A, Kim, H. | Deposit date: | 2021-06-17 | Release date: | 2022-10-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Extended DNA-binding interfaces beyond the canonical SAP domain contribute to the function of replication stress regulator SDE2 at DNA replication forks. J.Biol.Chem., 298, 2022
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5MQP
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![BU of 5mqp by Molmil](/molmil-images/mine/5mqp) | Glycoside hydrolase BT_1002 | Descriptor: | CALCIUM ION, Glycoside hydrolase BT_1002 | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | Deposit date: | 2016-12-20 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The most complex carbohydrate known is degraded in the human gut by single organisms and not bacterial consortia To Be Published
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6UXN
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![BU of 6uxn by Molmil](/molmil-images/mine/6uxn) | Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylserine | Descriptor: | Bcl-2 homologous antagonist/killer, GLYCEROL, O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, ... | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E. | Deposit date: | 2019-11-07 | Release date: | 2020-09-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | BAK core dimers bind lipids and can be bridged by them. Nat.Struct.Mol.Biol., 27, 2020
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6PK6
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![BU of 6pk6 by Molmil](/molmil-images/mine/6pk6) | Human PRPF4B bound to benzothiophene inhibitor 329 | Descriptor: | 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-28 | Release date: | 2019-08-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | to be published To Be Published
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7PVK
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![BU of 7pvk by Molmil](/molmil-images/mine/7pvk) | X-ray structure of dimeric PorX (T272A mutant), in complex with pGpG. | Descriptor: | BERYLLIUM TRIFLUORIDE ION, FORMIC ACID, GLYCEROL, ... | Authors: | Schmitz, C.A, Madej, M, Potempa, J, Sola, M. | Deposit date: | 2021-10-04 | Release date: | 2022-12-14 | Last modified: | 2023-01-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Response regulator PorX coordinates oligonucleotide signalling and gene expression to control the secretion of virulence factors Nucleic Acids Res., 50, 2022
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4Y1I
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![BU of 4y1i by Molmil](/molmil-images/mine/4y1i) | Lactococcus lactis yybP-ykoY Mn riboswitch bound to Mn2+ | Descriptor: | BARIUM ION, GUANOSINE-5'-TRIPHOSPHATE, Lactococcus lactis yybP-ykoY riboswitch, ... | Authors: | Price, I.R, Ke, A. | Deposit date: | 2015-02-07 | Release date: | 2015-04-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Mn(2+)-Sensing Mechanisms of yybP-ykoY Orphan Riboswitches. Mol.Cell, 57, 2015
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5MT2
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![BU of 5mt2 by Molmil](/molmil-images/mine/5mt2) | Glycoside hydrolase BT_0996 | Descriptor: | Beta-galactosidase, GLYCEROL | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | Deposit date: | 2017-01-06 | Release date: | 2017-03-22 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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6VFJ
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![BU of 6vfj by Molmil](/molmil-images/mine/6vfj) | |
7PWJ
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![BU of 7pwj by Molmil](/molmil-images/mine/7pwj) | dUTPase from human in complex with Stl | Descriptor: | 1,2-ETHANEDIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial, ... | Authors: | Sanz-Frasquet, C, Marina, A. | Deposit date: | 2021-10-06 | Release date: | 2022-12-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.944 Å) | Cite: | The Bacteriophage-Phage-Inducible Chromosomal Island Arms Race Designs an Interkingdom Inhibitor of dUTPases. Microbiol Spectr, 11, 2023
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8C8E
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![BU of 8c8e by Molmil](/molmil-images/mine/8c8e) | |
8TSZ
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![BU of 8tsz by Molmil](/molmil-images/mine/8tsz) | |
7PWX
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![BU of 7pwx by Molmil](/molmil-images/mine/7pwx) | dUTPase from M. tuberculosis in complex with Stl | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Marina, A, Sanz-Frasquet, C. | Deposit date: | 2021-10-07 | Release date: | 2022-12-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The Bacteriophage-Phage-Inducible Chromosomal Island Arms Race Designs an Interkingdom Inhibitor of dUTPases. Microbiol Spectr, 11, 2023
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8TT4
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![BU of 8tt4 by Molmil](/molmil-images/mine/8tt4) | Pseudomonas fluorescens isocyanide hydratase pH=6.0 | Descriptor: | 1,2-ETHANEDIOL, Isonitrile hydratase InhA | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | Deposit date: | 2023-08-12 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography. Biorxiv, 2023
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8TSY
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![BU of 8tsy by Molmil](/molmil-images/mine/8tsy) | |
5M8D
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![BU of 5m8d by Molmil](/molmil-images/mine/5m8d) | Tubulin MTD265-R1 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | Deposit date: | 2016-10-28 | Release date: | 2017-03-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention. Nat Commun, 8, 2017
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6YHE
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![BU of 6yhe by Molmil](/molmil-images/mine/6yhe) | tRNA-Guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex with 6-amino-4-(2-((3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)ethyl)-2-(methylamino)-1H-imidazo[4,5-g]quinazolin-8(7H)-one | Descriptor: | 4-[2-[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-methoxy-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]-6-azanyl-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION | Authors: | Nguyen, A, Heine, A, Klebe, G. | Deposit date: | 2020-03-29 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Co-crystallization, 19F NMR and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
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8TT0
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![BU of 8tt0 by Molmil](/molmil-images/mine/8tt0) | |
8C0T
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![BU of 8c0t by Molmil](/molmil-images/mine/8c0t) | NRS 1.2: Fluorescent Sensors for Imaging Interstitial Calcium | Descriptor: | CALCIUM ION, SULFATE ION, mNeonGreen,Optimized Ratiometric Calcium Sensor | Authors: | Basquin, J, Griesbeck, O, Valiente-Gabioud, A. | Deposit date: | 2022-12-19 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Fluorescent sensors for imaging of interstitial calcium. Nat Commun, 14, 2023
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7AH3
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![BU of 7ah3 by Molmil](/molmil-images/mine/7ah3) | Kinase domain of cSrc in complex with a pyrazolopyrimidine | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Dello Iacono, L, Kleinboelting, S, Fallacara, A.L, Rauh, D. | Deposit date: | 2020-09-24 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Insights into the binding of pyrazolopyrimidines to Src kinase To Be Published
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8TV4
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![BU of 8tv4 by Molmil](/molmil-images/mine/8tv4) | NMR structure of temporin L in solution | Descriptor: | Temporin-1Tl peptide | Authors: | McShan, A.C, Jia, R, Halim, M.A. | Deposit date: | 2023-08-17 | Release date: | 2023-09-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Antiviral peptides inhibiting the main protease of SARS-CoV-2 investigated by computational screening and in vitro protease assay. J.Pept.Sci., 30, 2024
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6MP9
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![BU of 6mp9 by Molmil](/molmil-images/mine/6mp9) | X-ray crystal structure of VioC bound to Fe(II), 2-oxo-5-guanidinopentanoic acid, and succinate | Descriptor: | 5-carbamimidamido-2-oxopentanoic acid, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ... | Authors: | Dunham, N.P, Boal, A.K. | Deposit date: | 2018-10-05 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | alpha-Amine Desaturation of d-Arginine by the Iron(II)- and 2-(Oxo)glutarate-Dependent l-Arginine 3-Hydroxylase, VioC. Biochemistry, 57, 2018
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