7A0B
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![BU of 7a0b by Molmil](/molmil-images/mine/7a0b) | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-3,4-dihydroxysulfolane | Descriptor: | (3~{R},4~{R})-1,1-bis(oxidanylidene)thiolane-3,4-diol, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Nguyen, D, Heine, A, Klebe, G. | Deposit date: | 2020-08-07 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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7A9E
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![BU of 7a9e by Molmil](/molmil-images/mine/7a9e) | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with ethyl methyl sulfone | Descriptor: | 1,2-ETHANEDIOL, 1-methylsulfonylethane, GLYCEROL, ... | Authors: | Nguyen, D, You, S, Heine, A, Klebe, G. | Deposit date: | 2020-09-01 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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8BXG
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![BU of 8bxg by Molmil](/molmil-images/mine/8bxg) | Structure of the K/H exchanger KefC. | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE MONOPHOSPHATE, Glutathione-regulated potassium-efflux system protein KefC, ... | Authors: | Gulati, A, Drew, D. | Deposit date: | 2022-12-08 | Release date: | 2023-12-20 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Structure and mechanism of the K + /H + exchanger KefC. Nat Commun, 15, 2024
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4KKX
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![BU of 4kkx by Molmil](/molmil-images/mine/4kkx) | Crystal structure of Tryptophan Synthase from Salmonella typhimurium with 2-aminophenol quinonoid in the beta site and the F6 inhibitor in the alpha site | Descriptor: | 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L. | Deposit date: | 2013-05-06 | Release date: | 2014-01-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states. Biochemistry, 52, 2013
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8BTN
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![BU of 8btn by Molmil](/molmil-images/mine/8btn) | Crystal structure of BcThsB | Descriptor: | TIR domain-containing protein | Authors: | Tamulaitiene, G, Sabonis, D. | Deposit date: | 2022-11-29 | Release date: | 2024-02-21 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Activation of Thoeris antiviral system via SIR2 effector filament assembly. Nature, 627, 2024
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8BTP
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![BU of 8btp by Molmil](/molmil-images/mine/8btp) | Helical structure of BcThsA in complex with 1''-3'gc(etheno)ADPR | Descriptor: | (1S,3S,4R,5R,7R,15R,16S,17R)-5-imidazo[2,1-f]purin-3-yl-10,12-bis(oxidanyl)-10,12-bis(oxidanylidene)-2,6,9,11,13,18-hexaoxa-10$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{3,7}]octadecane-4,16,17-triol, ETHENO-NAD, NAD(+) hydrolase ThsA | Authors: | Tamulaitiene, G, Sasnauskas, G, Sabonis, D. | Deposit date: | 2022-11-29 | Release date: | 2024-02-21 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Activation of Thoeris antiviral system via SIR2 effector filament assembly. Nature, 627, 2024
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6ZLX
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![BU of 6zlx by Molmil](/molmil-images/mine/6zlx) | The structure of the ClpX-associated factor PDIP38 | Descriptor: | PLATINUM (II) ION, Polymerase delta-interacting protein 2 | Authors: | Zeth, K, Dougan, D. | Deposit date: | 2020-07-01 | Release date: | 2021-07-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.394 Å) | Cite: | PDIP38 is a novel adaptor-like modulator of the mitochondrial AAA+ protease CLPXP To Be Published
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6ZOI
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![BU of 6zoi by Molmil](/molmil-images/mine/6zoi) | A lid blocking mechanism of a cone snail toxin revealed at the atomic level | Descriptor: | Conknunitzin-C3 mutante | Authors: | Saikia, C, Altman-Gueta, H, Dym, O, Frolow, F, Gurevitz, M, Gordon, D, Reuveny, E, Karbat, I. | Deposit date: | 2020-07-07 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | A lid blocking mechanism of a cone snail toxin revealed at the atomic level To Be Published
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8OTX
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![BU of 8otx by Molmil](/molmil-images/mine/8otx) | Cryo-EM structure of Strongylocentrotus purpuratus sperm-specific Na+/H+ exchanger SLC9C1 in nanodisc | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, Sperm-specific sodium proton exchanger | Authors: | Yeo, H, Mehta, V, Gulati, A, Drew, D. | Deposit date: | 2023-04-21 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Structure and electromechanical coupling of a voltage-gated Na + /H + exchanger. Nature, 623, 2023
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6ZWK
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![BU of 6zwk by Molmil](/molmil-images/mine/6zwk) | Crystal structure of the phosphorylated C-terminal tail of histone H2AX in complex with a specific nanobody (C6 gammaXbody) | Descriptor: | CHLORIDE ION, Histone H2AX, SODIUM ION, ... | Authors: | McEwen, A.G, Moeglin, E, Desplancq, D, Weiss, E, Poterszman, A. | Deposit date: | 2020-07-28 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A Novel Nanobody Precisely Visualizes Phosphorylated Histone H2AX in Living Cancer Cells under Drug-Induced Replication Stress. Cancers (Basel), 13, 2021
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8OTQ
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![BU of 8otq by Molmil](/molmil-images/mine/8otq) | Cryo-EM structure of Strongylocentrotus purpuratus sperm-specific Na+/H+ exchanger SLC9C1 in GDN | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, PALMITIC ACID, Sperm-specific sodium proton exchanger | Authors: | Yeo, H, Mehta, V, Gulati, A, Drew, D. | Deposit date: | 2023-04-21 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Structure and electromechanical coupling of a voltage-gated Na + /H + exchanger. Nature, 623, 2023
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6ZX9
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![BU of 6zx9 by Molmil](/molmil-images/mine/6zx9) | Crystal structure of SIV Vpr,fused to T4 lysozyme, isolated from moustached monkey, bound to human DDB1 and human DCAF1 (amino acid residues 1046-1396) | Descriptor: | DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1, GLYCEROL, ... | Authors: | Schwefel, D, Banchenko, S. | Deposit date: | 2020-07-29 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.519729 Å) | Cite: | Structural insights into Cullin4-RING ubiquitin ligase remodelling by Vpr from simian immunodeficiency viruses. Plos Pathog., 17, 2021
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6ZUE
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![BU of 6zue by Molmil](/molmil-images/mine/6zue) | |
8C77
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![BU of 8c77 by Molmil](/molmil-images/mine/8c77) | Human cathepsin L after reaction with the thiocarbazate inhibitor CID 16725315 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cathepsin L, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2023-01-12 | Release date: | 2023-01-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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8BZV
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![BU of 8bzv by Molmil](/molmil-images/mine/8bzv) | |
8OMI
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![BU of 8omi by Molmil](/molmil-images/mine/8omi) | Crystal structure of the inositol hexakisphosphate kinase EhIP6KA M85 variant in complex with ATP and Mg2+ | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Schuetz, A, Aguirre, T, Fiedler, D. | Deposit date: | 2023-03-31 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | An unconventional gatekeeper mutation sensitizes inositol hexakisphosphate kinases to an allosteric inhibitor. Elife, 12, 2023
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7AE7
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![BU of 7ae7 by Molmil](/molmil-images/mine/7ae7) | |
8CKS
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![BU of 8cks by Molmil](/molmil-images/mine/8cks) | Crystal structure of Human Serum Albumin in complex with FESAN | Descriptor: | 3,3'-commo-bis(1,2-dicarba-3-ferra-closo-dodecaborane), DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Dolot, R.M, Kaniowski, D, Ebenryter-Olbinska, K, Szczupak, P, Suwara, J, Nawrot, B.C. | Deposit date: | 2023-02-16 | Release date: | 2023-03-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Human Serum Albumin in complex with FESAN To Be Published
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7AE4
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![BU of 7ae4 by Molmil](/molmil-images/mine/7ae4) | |
4L7J
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![BU of 4l7j by Molmil](/molmil-images/mine/4l7j) | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1) | Descriptor: | 2-[(3aS,7aR)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile, ACETATE ION, Beta-secretase 1 | Authors: | Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M. | Deposit date: | 2013-06-13 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1) Tetrahedron Lett., 2013
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8C5M
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![BU of 8c5m by Molmil](/molmil-images/mine/8c5m) | SARS-CoV-2 nsp10-16 methyltransferase in complex with MTA | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Falke, S. | Deposit date: | 2023-01-09 | Release date: | 2023-03-01 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of Tubercidin and Adenosine bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16 To Be Published
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7AE5
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![BU of 7ae5 by Molmil](/molmil-images/mine/7ae5) | |
3NGK
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![BU of 3ngk by Molmil](/molmil-images/mine/3ngk) | |
8C0Q
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![BU of 8c0q by Molmil](/molmil-images/mine/8c0q) | Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative. | Descriptor: | (4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Alterio, V, De Simone, G, Esposito, D. | Deposit date: | 2022-12-19 | Release date: | 2023-03-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors. Biology (Basel), 12, 2023
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8C0R
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![BU of 8c0r by Molmil](/molmil-images/mine/8c0r) | Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative. | Descriptor: | Carbonic anhydrase 2, ZINC ION, bis(fluoranyl)-(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide | Authors: | Alterio, V, De Simone, G, Esposito, D. | Deposit date: | 2022-12-19 | Release date: | 2023-03-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors. Biology (Basel), 12, 2023
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