5NJO
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![BU of 5njo by Molmil](/molmil-images/mine/5njo) | Roll out the beta-barrel: structure and mechanism of Pac13, a unique nucleoside dehydratase | Descriptor: | Putative cupin_2 domain-containing isomerase | Authors: | Michailidou, F, Bent, A.F, Naismith, J.H, Goss, R.J.M. | Deposit date: | 2017-03-29 | Release date: | 2018-03-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins. Angew. Chem. Int. Ed. Engl., 56, 2017
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5VFI
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![BU of 5vfi by Molmil](/molmil-images/mine/5vfi) | Bruton's tyrosine kinase (BTK) with GDC-0853 | Descriptor: | 1,2-ETHANEDIOL, 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, SULFATE ION, ... | Authors: | Steinbacher, S, Eigenbrot, C. | Deposit date: | 2017-04-07 | Release date: | 2018-02-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Discovery of GDC-0853: A Potent, Selective, and Noncovalent Bruton's Tyrosine Kinase Inhibitor in Early Clinical Development. J. Med. Chem., 61, 2018
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3UFJ
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![BU of 3ufj by Molmil](/molmil-images/mine/3ufj) | Human Thymine DNA Glycosylase Bound to Substrate Analog 2'-fluoro-2'-deoxyuridine | Descriptor: | 5'-D(*CP*AP*GP*CP*TP*CP*TP*GP*TP*AP*CP*GP*TP*GP*AP*GP*CP*AP*GP*TP*GP*GP*A)-3', 5'-D(*CP*CP*AP*CP*TP*GP*CP*TP*CP*AP*(UF2)P*GP*TP*AP*CP*AP*GP*AP*GP*CP*TP*GP*T)-3', G/T mismatch-specific thymine DNA glycosylase | Authors: | Pozharski, E, Maiti, A, Drohat, A.C. | Deposit date: | 2011-11-01 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.967 Å) | Cite: | Lesion processing by a repair enzyme is severely curtailed by residues needed to prevent aberrant activity on undamaged DNA. Proc.Natl.Acad.Sci.USA, 109, 2012
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7NLJ
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5W0T
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3BWI
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![BU of 3bwi by Molmil](/molmil-images/mine/3bwi) | Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with an acetate ion bound at the active site | Descriptor: | ACETATE ION, Botulinum neurotoxin A light chain, SULFATE ION, ... | Authors: | Kumaran, D, Rawat, R, Swaminathan, S. | Deposit date: | 2008-01-09 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure- and Substrate-based Inhibitor Design for Clostridium botulinum Neurotoxin Serotype A J.Biol.Chem., 283, 2008
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3C2L
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![BU of 3c2l by Molmil](/molmil-images/mine/3c2l) | Ternary complex of DNA POLYMERASE BETA with a C:DAPCPP mismatch in the active site | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, DNA (5'-D(*DCP*DCP*DGP*DAP*DCP*DCP*DGP*DCP*DGP*DCP*DAP*DTP*DCP*DAP*DGP*DC)-3'), DNA (5'-D(*DGP*DCP*DTP*DGP*DAP*DTP*DGP*DCP*DGP*DC)-3'), ... | Authors: | Batra, V.K, Beard, W.A, Shock, D.D, Pedersen, L.C, Wilson, S.H. | Deposit date: | 2008-01-25 | Release date: | 2008-05-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of DNA polymerase beta with active-site mismatches suggest a transient abasic site intermediate during misincorporation. Mol.Cell, 30, 2008
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4OV0
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![BU of 4ov0 by Molmil](/molmil-images/mine/4ov0) | Structure of Bacteriorhdopsin Transferred from Amphipol A8-35 to a Lipidic Mesophase | Descriptor: | Bacteriorhodopsin, RETINAL | Authors: | Polovinkin, V, Gushchin, I, Sintsov, M, Round, E, Balandin, T, Chervakov, P, Schevchenko, V, Utrobin, P, Popov, A, Borshchevskiy, V, Mishin, A, Kuklin, A, Willbold, D, Popot, J.L, Gordeliy, V. | Deposit date: | 2014-02-19 | Release date: | 2014-10-01 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution structure of a membrane protein transferred from amphipol to a lipidic mesophase. J.Membr.Biol., 247, 2014
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3C88
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7MOJ
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3BQF
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5VL9
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![BU of 5vl9 by Molmil](/molmil-images/mine/5vl9) | Crystal structure of EilR in complex with eilO DNA element | Descriptor: | DNA (5'-D(*GP*AP*AP*AP*GP*TP*TP*GP*GP*AP*CP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*GP*TP*CP*CP*AP*AP*CP*TP*TP*TP*C)-3'), HEXANE-1,6-DIOL, ... | Authors: | Pereira, J.H, Ruegg, T.L, Chen, J, Novichkov, P, DeGiovani, A, Tomaleri, G.P, Singer, S, Simmons, B, Thelen, M, Adams, P.D. | Deposit date: | 2017-04-25 | Release date: | 2018-06-27 | Last modified: | 2022-03-16 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Jungle Express is a versatile repressor system for tight transcriptional control. Nat Commun, 9, 2018
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5VQW
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![BU of 5vqw by Molmil](/molmil-images/mine/5vqw) | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acrylamide (JLJ685), a Non-nucleoside Inhibitor | Descriptor: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | Authors: | Chan, A.H, Kudalkar, S.N, Anderson, K.S. | Deposit date: | 2017-05-09 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3C7G
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![BU of 3c7g by Molmil](/molmil-images/mine/3c7g) | Crystal structure of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase from Bacillus subtilis in complex with xylotetraose. | Descriptor: | CALCIUM ION, Endo-1,4-beta-xylanase, GLYCEROL, ... | Authors: | Vandermarliere, E, Bourgois, T.M, Winn, M.D, Van Campenhout, S, Volckaert, G, Strelkov, S.V, Delcour, J.A, Rabijns, A, Courtin, C.M. | Deposit date: | 2008-02-07 | Release date: | 2008-11-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structural analysis of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase in complex with xylotetraose reveals a different binding mechanism compared with other members of the same family. Biochem.J., 418, 2009
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6X5M
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![BU of 6x5m by Molmil](/molmil-images/mine/6x5m) | Crystal structure of a stabilized PAN ENE bimolecular triplex with a GC-clamped polyA tail, in complex with Fab-BL-3,6. | Descriptor: | Heavy chain Fab Bl-3 6, Light chain Fab BL-3 6, SULFATE ION, ... | Authors: | Swain, M, Li, M, Wlodawer, A, Le Grice, S.F.J. | Deposit date: | 2020-05-26 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Dynamic bulge nucleotides in the KSHV PAN ENE triple helix provide a unique binding platform for small molecule ligands. Nucleic Acids Res., 49, 2021
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5VF1
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3C8B
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3C89
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5VQR
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![BU of 5vqr by Molmil](/molmil-images/mine/5vqr) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacrylamide (JLJ684), a Non-nucleoside Inhibitor | Descriptor: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | Authors: | Chan, A.H, Anderson, K.S. | Deposit date: | 2017-05-09 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VQZ
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![BU of 5vqz by Molmil](/molmil-images/mine/5vqz) | Crystal Structure of HIV-1 Reverse Transcriptase (K103N, Y181C) Variant in Complex with 2-chloro-N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacetamide (JLJ686), a Non-nucleoside Inhibitor | Descriptor: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | Authors: | Buckingham, A.B, Chan, A.H, Anderson, K.S. | Deposit date: | 2017-05-09 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3UL4
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![BU of 3ul4 by Molmil](/molmil-images/mine/3ul4) | Crystal structure of Coh-OlpA(Cthe_3080)-Doc918(Cthe_0918) complex: A novel type I Cohesin-Dockerin complex from Clostridium thermocellum ATTC 27405 | Descriptor: | CALCIUM ION, Cellulosome enzyme, dockerin type I, ... | Authors: | Alves, V.D, Carvalho, A.L, Najmudin, S.H, Bras, J, Prates, J.A.M, Fontes, C.M.G.A. | Deposit date: | 2011-11-10 | Release date: | 2012-11-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Novel Clostridium thermocellum Type I Cohesin-Dockerin Complexes Reveal a Single Binding Mode. J.Biol.Chem., 287, 2012
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6QPH
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![BU of 6qph by Molmil](/molmil-images/mine/6qph) | Dunaliella minimal PSI complex | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | Authors: | Klaiman, D, Caspy, I, Nelson, N. | Deposit date: | 2019-02-14 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of a minimal photosystem I from the green alga Dunaliella salina. Nat.Plants, 6, 2020
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5VEG
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![BU of 5veg by Molmil](/molmil-images/mine/5veg) | Structure of a Short-Chain Flavodoxin Associated with a Non-Canonical PDU Bacterial Microcompartment | Descriptor: | CADMIUM ION, FLAVIN MONONUCLEOTIDE, Flavodoxin, ... | Authors: | Sutter, M, Plegaria, J.S, Kerfeld, C.A. | Deposit date: | 2017-04-04 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural and Functional Characterization of a Short-Chain Flavodoxin Associated with a Noncanonical 1,2-Propanediol Utilization Bacterial Microcompartment. Biochemistry, 56, 2017
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5VQX
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![BU of 5vqx by Molmil](/molmil-images/mine/5vqx) | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with 2-chloro-N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacetamide (JLJ686), a Non-nucleoside Inhibitor | Descriptor: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | Authors: | Chan, A.H, Anderson, K.S. | Deposit date: | 2017-05-09 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3D4Z
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![BU of 3d4z by Molmil](/molmil-images/mine/3d4z) | GOLGI MANNOSIDASE II complex with gluco-imidazole | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Alpha-mannosidase 2, GLUCOIMIDAZOLE, ... | Authors: | Kuntz, D.A, Tarling, C.A, Withers, S.G, Rose, D.R. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural analysis of Golgi alpha-mannosidase II inhibitors identified from a focused glycosidase inhibitor screen. Biochemistry, 47, 2008
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