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7WD2
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BU of 7wd2 by Molmil
Crystal structure of S43 bound to SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, Q.H, Gao, G.F, Qi, J.X, Su, C, Liu, H.H, Wu, L.L.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Two pan-SARS-CoV-2 nanobodies and their multivalent derivatives effectively prevent Omicron infections in mice.
Cell Rep Med, 4, 2023
7XZ9
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BU of 7xz9 by Molmil
Mutant (E236A) of the N-terminal domain of fucoidan lyase FdlA
Descriptor: Fucoidan lyase
Authors:Wang, J, Li, M, Pan, W.
Deposit date:2022-06-02
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural and Biochemical Analysis Reveals Catalytic Mechanism of Fucoidan Lyase from Flavobacterium sp. SA-0082.
Mar Drugs, 20, 2022
7XRW
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BU of 7xrw by Molmil
Solution structure of T. brucei RAP1
Descriptor: Repressor activator protein 1
Authors:Yang, X, Pan, X.H, Ji, Z.Y, Wong, K.B, Zhang, M.J, Zhao, Y.X.
Deposit date:2022-05-12
Release date:2023-03-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The RRM-mediated RNA binding activity in T. brucei RAP1 is essential for VSG monoallelic expression.
Nat Commun, 14, 2023
3MQ0
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BU of 3mq0 by Molmil
Crystal Structure of Agobacterium tumefaciens repressor BlcR
Descriptor: Transcriptional repressor of the blcABC operon
Authors:Chen, L.
Deposit date:2010-04-27
Release date:2011-03-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.793 Å)
Cite:The Agrobacterium tumefaciens Transcription Factor BlcR Is Regulated via Oligomerization.
J.Biol.Chem., 286, 2011
6UKV
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BU of 6ukv by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 9
Descriptor: 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
Authors:Lesburg, C.A.
Deposit date:2019-10-06
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UKX
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BU of 6ukx by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 11
Descriptor: 4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid), fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
Authors:Lesburg, C.A.
Deposit date:2019-10-06
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UKZ
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BU of 6ukz by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 6
Descriptor: 4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
Authors:Lesburg, C.A.
Deposit date:2019-10-06
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UKW
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BU of 6ukw by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 10
Descriptor: 4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
Authors:Lesburg, C.A.
Deposit date:2019-10-06
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UKY
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BU of 6uky by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 12
Descriptor: 4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
Authors:Lesburg, C.A.
Deposit date:2019-10-06
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
4OSK
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BU of 4osk by Molmil
Crystal structure of TAL effector reveals the recognition between asparagine and guanine
Descriptor: DNA (5'-D(*AP*GP*TP*CP*TP*AP*GP*TP*AP*GP*TP*TP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*AP*AP*CP*TP*AP*CP*TP*AP*GP*AP*CP*T)-3'), Hax3
Authors:Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N.
Deposit date:2014-02-13
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:Revisiting the TALE repeat
Protein Cell, 5, 2014
4OT0
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BU of 4ot0 by Molmil
Crystal structure of the S505T mutant of TAL effector dHax3
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3
Authors:Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N.
Deposit date:2014-02-13
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.491 Å)
Cite:Revisiting the TALE repeat
Protein Cell, 5, 2014
4OST
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BU of 4ost by Molmil
Crystal structure of the S505C mutant of TAL effector dHax3
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3
Authors:Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N.
Deposit date:2014-02-13
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Revisiting the TALE repeat
Protein Cell, 5, 2014
4OSV
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BU of 4osv by Molmil
Crystal structure of the S505M mutant of TAL effector dHax3
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3
Authors:Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N.
Deposit date:2014-02-13
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Revisiting the TALE repeat
Protein Cell, 5, 2014
4OXK
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BU of 4oxk by Molmil
Multiple binding modes of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA within a tetramer
Descriptor: 3,6,9,12,15-pentaoxaoctadecan-17-amine, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J.
Deposit date:2014-02-05
Release date:2014-04-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8429 Å)
Cite:A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
4OSJ
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BU of 4osj by Molmil
Crystal structure of TAL effector reveals the recognition between asparagine and adenine
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3
Authors:Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N.
Deposit date:2014-02-13
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Revisiting the TALE repeat
Protein Cell, 5, 2014
4OTO
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BU of 4oto by Molmil
Crystal structure of the S505W mutant of TAL effector dHax3
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3
Authors:Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N.
Deposit date:2014-02-14
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.588 Å)
Cite:Revisiting the TALE repeat
Protein Cell, 5, 2014
4OYR
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BU of 4oyr by Molmil
Competition of the small inhibitor PT91 with large fatty acyl substrate of the Mycobacterium tuberculosis enoyl-ACP reductase InhA by induced substrate-binding loop refolding
Descriptor: 2-(2-chloranylphenoxy)-5-hexyl-phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J.
Deposit date:2014-02-13
Release date:2014-04-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2995 Å)
Cite:A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
4OSZ
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BU of 4osz by Molmil
Crystal structure of the S505P mutant of TAL effector dHax3
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3
Authors:Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N.
Deposit date:2014-02-13
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.614 Å)
Cite:Revisiting the TALE repeat
Protein Cell, 5, 2014
4OXY
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BU of 4oxy by Molmil
Substrate-binding loop movement with inhibitor PT10 in the tetrameric Mycobacterium tuberculosis enoyl-ACP reductase InhA
Descriptor: 5-hexyl-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Li, H.J, Sullivan, T.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J.
Deposit date:2014-02-09
Release date:2014-04-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3501 Å)
Cite:A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
4OSH
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BU of 4osh by Molmil
Crystal structure of the TAL effector dHax3 with NI RVD at 2.2 angstrom resolution
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3
Authors:Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N.
Deposit date:2014-02-13
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Revisiting the TALE repeat
Protein Cell, 5, 2014
4OSR
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BU of 4osr by Molmil
Crystal structure of the S505K mutant of TAL effector dHax3
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*GP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3
Authors:Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N.
Deposit date:2014-02-13
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.944 Å)
Cite:Revisiting the TALE repeat
Protein Cell, 5, 2014
4OSM
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BU of 4osm by Molmil
Crystal structure of the S505H mutant of TAL effector dHax3
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3
Authors:Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N.
Deposit date:2014-02-13
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.454 Å)
Cite:Revisiting the TALE repeat
Protein Cell, 5, 2014
4OSI
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BU of 4osi by Molmil
Crystal structure of the TAL effector dHax3 with NI RVD at 2.8 angstrom resolution
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3
Authors:Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N.
Deposit date:2014-02-13
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.849 Å)
Cite:Revisiting the TALE repeat
Protein Cell, 5, 2014
4OSS
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BU of 4oss by Molmil
Crystal structure of the S505Q mutant of TAL effector dHax3
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*CP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*GP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3
Authors:Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N.
Deposit date:2014-02-13
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Revisiting the TALE repeat
Protein Cell, 5, 2014
4OXN
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BU of 4oxn by Molmil
Substrate-like binding mode of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA
Descriptor: 3,6,9,12,15-pentaoxaoctadecan-17-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ...
Authors:Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J.
Deposit date:2014-02-05
Release date:2014-04-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2926 Å)
Cite:A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014

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