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4YDX
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BU of 4ydx by Molmil
Crystal structure of cisplatin bound to a human copper chaperone (monomer) - new refinement
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, Copper transport protein ATOX1, PLATINUM (II) ION, ...
Authors:Shabalin, I.G, Boal, A.K, Dauter, Z, Jaskolski, M, Minor, W, Rosenzweig, A.C, Wlodawer, A.
Deposit date:2015-02-23
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
4YEA
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BU of 4yea by Molmil
Crystal structure of cisplatin bound to a human copper chaperone (dimer) - new refinement
Descriptor: COPPER (II) ION, Copper transport protein ATOX1, SULFATE ION
Authors:Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A.
Deposit date:2015-02-23
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
6RGJ
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BU of 6rgj by Molmil
Photorhabdus asymbiotica lectin PHL in complex with D-glucose
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lectin PHL, ...
Authors:Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M.
Deposit date:2019-04-16
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6NMS
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BU of 6nms by Molmil
Blocking Fab 136 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
Descriptor: Fab 136 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 136 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
Authors:Wibowo, A.S, Carter, J.J, Sim, J.
Deposit date:2019-01-11
Release date:2019-08-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
8EUO
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BU of 8euo by Molmil
Hydroxynitrile Lyase from Hevea brasiliensis with Seven Mutations
Descriptor: (S)-hydroxynitrile lyase
Authors:Greenberg, L.R, Walsh, M.E, Kazlauskas, R.J, Pierce, C.T, Shi, K, Aihara, H, Evans, R.L.
Deposit date:2022-10-19
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:to be published
To Be Published
6NQW
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BU of 6nqw by Molmil
Flagellar protein FcpA from Leptospira biflexa - hexagonal form
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Flagellar coiling protein A, GLYCEROL, ...
Authors:San Martin, F, Trajtenberg, F, Larrieux, N, Buschiazzo, A.
Deposit date:2019-01-22
Release date:2020-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An asymmetric sheath controls flagellar supercoiling and motility in the Leptospira spirochete
Elife, 9, 2020
7NC4
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BU of 7nc4 by Molmil
Crystal structure of human carbonic anhydrase VII (hCA VII) in complex with a 4-(4-aroylpiperazine-1-carbonyl)benzenesulfonamide derivative.
Descriptor: 4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2021-01-28
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design, synthesis and biochemical evaluation of novel carbonic anhydrase inhibitors triggered by structural knowledge on hCA VII.
Bioorg.Med.Chem., 44, 2021
8PJ0
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BU of 8pj0 by Molmil
Pseudomonas aeruginosa FabF C164A mutant in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O.
Deposit date:2023-06-22
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
5L7X
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BU of 5l7x by Molmil
Afamin antibody fragment, N14 Fab, L1- glycosylated, crystal form II
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Mouse Antibody Fab Fragment, ...
Authors:Rupp, B, Naschberger, A.
Deposit date:2016-06-04
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling.
Acta Crystallogr D Struct Biol, 72, 2016
6LPL
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BU of 6lpl by Molmil
A2AR crystallized in EROCOC17+4, SS-ROX at 100 K
Descriptor: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ...
Authors:Ihara, K, Hato, M, Nakane, T, Yamashita, K, Kimura-Someya, T, Hosaka, T, Ishizuka-Katsura, Y, Tanaka, R, Tanaka, T, Sugahara, M, Hirata, K, Yamamoto, M, Nureki, O, Tono, K, Nango, E, Iwata, S, Shirouzu, M.
Deposit date:2020-01-11
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Isoprenoid-chained lipid EROCOC 17+4 : a new matrix for membrane protein crystallization and a crystal delivery medium in serial femtosecond crystallography.
Sci Rep, 10, 2020
6NXV
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BU of 6nxv by Molmil
Crystal structure of the theta class glutathione S-transferase from the citrus canker pathogen Xanthomonas axonopodis pv. citri, apo form
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Glutathione S-transferase
Authors:Hilario, E, De Keyser, S, Fan, L.
Deposit date:2019-02-10
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural and biochemical characterization of a glutathione transferase from the citrus canker pathogen Xanthomonas.
Acta Crystallogr D Struct Biol, 76, 2020
4H2H
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BU of 4h2h by Molmil
Crystal structure of an enolase (mandalate racemase subgroup, target EFI-502101) from Pelagibaca bermudensis htcc2601, with bound mg and l-4-hydroxyproline betaine (betonicine)
Descriptor: (2S,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate, (4S)-2-METHYL-2,4-PENTANEDIOL, IODIDE ION, ...
Authors:Vetting, M.W, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-09-12
Release date:2012-10-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of new enzymes and metabolic pathways by using structure and genome context.
Nature, 502, 2013
6RFZ
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BU of 6rfz by Molmil
Photorhabdus laumondii lectin PLL2 in complex with D-glucose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, SODIUM ION, ...
Authors:Houser, J, Fujdiarova, E, Wimmerova, M.
Deposit date:2019-04-16
Release date:2020-07-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6RG1
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BU of 6rg1 by Molmil
Photorhabdus laumondii lectin PLL2 in complex with L-rhamnose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, SODIUM ION, ...
Authors:Houser, J, Fujdiarova, E, Wimmerova, M.
Deposit date:2019-04-16
Release date:2020-07-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
3GLP
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BU of 3glp by Molmil
1.23 A resolution X-ray structure of (GCUGCUGC)2
Descriptor: 5'-R(*GP*CP*UP*GP*CP*UP*GP*C)-3', GLYCEROL, SULFATE ION
Authors:Kiliszek, A, Kierzek, R, Krzyzosiak, W.J, Rypniewski, W.
Deposit date:2009-03-12
Release date:2009-05-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Structural insights into CUG repeats containing the 'stretched U-U wobble': implications for myotonic dystrophy.
Nucleic Acids Res., 37, 2009
8TIX
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BU of 8tix by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 5' terminal phosphates and crosslinked with EDC.
Descriptor: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
8TIR
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BU of 8tir by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 5' terminal phosphates.
Descriptor: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
8TIQ
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BU of 8tiq by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with blunt ends and 3' terminal phosphates.
Descriptor: DNA (5'-D(*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3', DNA (5'-D(*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*GP*A)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Slaughter, C.K, Shrestha, R, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
8TIU
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BU of 8tiu by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and 3' terminal phosphates.
Descriptor: DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*A)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
8TIT
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BU of 8tit by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and no terminal phosphates.
Descriptor: DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
8TIS
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BU of 8tis by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 3' terminal phosphates.
Descriptor: DNA (5'-D(GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*A)-3'), DNA(5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-')|, MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
8TIZ
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BU of 8tiz by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and no terminal phosphates and crosslinked with EDC.
Descriptor: DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
8TIW
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BU of 8tiw by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with blunt ends and 3' terminal phosphates and crosslinked with EDC.
Descriptor: DNA (5'-D(*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3', DNA (5'-D(*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*GP*A)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
8TJ0
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BU of 8tj0 by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and 5' terminal phosphates and crosslinked with EDC.
Descriptor: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*G)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Slaughter, C.K, Shrestha, R, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
8TIV
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BU of 8tiv by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with blunt ends and 5' terminal phosphates and crosslinked with EDC.
Descriptor: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3')|, DNA (5'-D(A*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*G)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024

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