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6PV1
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BU of 6pv1 by Molmil
Backbone-modified variant of zinc finger 2 from the transcription factor Sp1 DNA binding domain: Aib in the metal-binding turn
Descriptor: Transcription factor Sp1, ZINC ION
Authors:Rao, S.R, Horne, W.S.
Deposit date:2019-07-19
Release date:2020-06-24
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Proteomimetic Zinc Finger Domains with Modified Metal-binding beta-Turns.
Pept Sci (Hoboken), 112, 2020
7NRO
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BU of 7nro by Molmil
Crystal structure of AlkB in complex with manganese and N-(4-((6-((carboxymethyl)carbamoyl)-5-hydroxypyridin-2-yl)amino)phenyl)-N-oxohydroxylammonium
Descriptor: 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION
Authors:Shishodia, S, Maheswaran, P, Leissing, T, Aik, W.S, McDonough, M.A, Schofield, C.J.
Deposit date:2021-03-04
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors.
J.Med.Chem., 64, 2021
4WH4
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BU of 4wh4 by Molmil
Protein GB1 Quadruple Mutant I6H/N8H/K28H/Q32H
Descriptor: GLYCEROL, Immunoglobulin G-binding protein G, SULFATE ION
Authors:Cunningham, T.C, Horne, W.S, Saxena, S.
Deposit date:2014-09-19
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The double-histidine Cu2+-binding motif: a highly rigid, site-specific spin probe for electron spin resonance distance measurements.
Angew.Chem.Int.Ed.Engl., 54, 2015
7RAP
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BU of 7rap by Molmil
Heterogeneous-backbone proteomimetic analogue of the disulfide-rich venom peptide lasiocepsin
Descriptor: Heterogeneous-backbone analogue of lasiocepsin
Authors:Cabalteja, C.C, Horne, W.S.
Deposit date:2021-07-02
Release date:2022-05-04
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Heterogeneous-Backbone Proteomimetic Analogues of Lasiocepsin, a Disulfide-Rich Antimicrobial Peptide with a Compact Tertiary Fold.
Acs Chem.Biol., 17, 2022
7YLG
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BU of 7ylg by Molmil
Crystal structure of the chicken Toll-like receptor 15 TIR domain (glutathione adduct)
Descriptor: GLUTATHIONE, Toll-like receptor 2
Authors:Ko, K.Y, Song, W.S, Yoon, S.I.
Deposit date:2022-07-26
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of the Toll-like receptor 15 TIR domain.
Iucrj, 10, 2023
7YLF
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BU of 7ylf by Molmil
Crystal structure of the chicken Toll-like receptor 15 TIR domain (2-mercaptoethanol adduct)
Descriptor: GLYCEROL, SULFATE ION, Toll-like receptor 15
Authors:Ko, K.Y, Song, W.S, Yoon, S.I.
Deposit date:2022-07-26
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of the Toll-like receptor 15 TIR domain.
Iucrj, 10, 2023
6UCP
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BU of 6ucp by Molmil
Zinc finger 2 from the transcription factor Sp1 DNA binding domain
Descriptor: Transcription factor Sp1, ZINC ION
Authors:Rao, S.R, Horne, W.S.
Deposit date:2019-09-17
Release date:2020-06-24
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Proteomimetic Zinc Finger Domains with Modified Metal-binding beta-Turns.
Pept Sci (Hoboken), 112, 2020
6UCO
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BU of 6uco by Molmil
Backbone-modified variant of zinc finger 2 from the transcription factor Sp1 DNA binding domain: BTD in the metal-binding turn
Descriptor: Transcription factor Sp1, ZINC ION
Authors:Rao, S.R, Horne, W.S.
Deposit date:2019-09-17
Release date:2020-06-24
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Proteomimetic Zinc Finger Domains with Modified Metal-binding beta-Turns.
Pept Sci (Hoboken), 112, 2020
8T0G
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BU of 8t0g by Molmil
Backbone Dialkylation in Peptide Hairpins: Natural Backbone Prototype
Descriptor: Immunoglobulin G-binding protein G
Authors:Heath, S.L, Horne, W.S, Lengyel, G.A.
Deposit date:2023-06-01
Release date:2023-08-16
Method:SOLUTION NMR
Cite:Effects of chirality and side chain length in C alpha , alpha-dialkylated residues on beta-hairpin peptide folded structure and stability.
Org.Biomol.Chem., 21, 2023
8T0I
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BU of 8t0i by Molmil
Backbone Dialkylation in Peptide Hairpins: (R)-Ethylpropylglycine variant
Descriptor: Immunoglobulin G-binding protein G
Authors:Heath, S.L, Horne, W.S, Lengyel, G.A.
Deposit date:2023-06-01
Release date:2023-08-16
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Effects of chirality and side chain length in C alpha , alpha-dialkylated residues on beta-hairpin peptide folded structure and stability.
Org.Biomol.Chem., 21, 2023
8T0H
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BU of 8t0h by Molmil
Backbone Dialkylation in Peptide Hairpins: (S)-Ethylpropylglycine variant
Descriptor: Immunoglobulin G-binding protein G
Authors:Heath, S.L, Horne, W.S, Lengyel, G.A.
Deposit date:2023-06-01
Release date:2023-08-16
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Effects of chirality and side chain length in C alpha , alpha-dialkylated residues on beta-hairpin peptide folded structure and stability.
Org.Biomol.Chem., 21, 2023
8BDG
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BU of 8bdg by Molmil
Tubulin-taxane-2b complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F.
Deposit date:2022-10-19
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
8BDE
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BU of 8bde by Molmil
Tubulin-baccatin III complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F.
Deposit date:2022-10-19
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
8BDF
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BU of 8bdf by Molmil
Tubulin-taxane-2a complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F.
Deposit date:2022-10-19
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
6WYA
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BU of 6wya by Molmil
RTX (Reverse Transcription Xenopolymerase) in complex with a DNA duplex and dAMPNPP
Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Choi, W.S, He, P, Pothukuchy, A, Gollihar, J, Ellington, A.D, Yang, W.
Deposit date:2020-05-12
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:How a B family DNA polymerase has been evolved to copy RNA.
Proc.Natl.Acad.Sci.USA, 117, 2020
6WYB
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BU of 6wyb by Molmil
RTX (Reverse Transcription Xenopolymerase) in complex with an RNA/DNA hybrid
Descriptor: 1,2-ETHANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, DNA polymerase, ...
Authors:Choi, W.S, He, P, Pothukuchy, A, Gollihar, J, Ellington, A.D, Yang, W.
Deposit date:2020-05-12
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:How a B family DNA polymerase has been evolved to copy RNA.
Proc.Natl.Acad.Sci.USA, 117, 2020
5KU6
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BU of 5ku6 by Molmil
Crystal structure for the complex of human carbonic anhydrase IV and methazolamide
Descriptor: ACETATE ION, Carbonic anhydrase 4, GLYCEROL, ...
Authors:Chen, Z, Waheed, A, Di Cera, E, Sly, W.S.
Deposit date:2016-07-12
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
5DIC
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BU of 5dic by Molmil
Fatty acid binding protein OBP56a from the oral disk of the blowfly Phormia regina
Descriptor: Odorant-binding protein, PALMITIC ACID
Authors:Ishida, Y, Leal, W.S, Wilson, D.K.
Deposit date:2015-08-31
Release date:2016-10-05
Method:X-RAY DIFFRACTION (1.185 Å)
Cite:In preparation
To Be Published
5DQV
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BU of 5dqv by Molmil
The crystal structure of Bacillus subtilis YpgQ
Descriptor: NICKEL (II) ION, Uncharacterized protein
Authors:Jeon, Y.J, Song, W.S, Yoon, S.I.
Deposit date:2015-09-15
Release date:2016-04-27
Last modified:2016-06-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and biochemical characterization of bacterial YpgQ protein reveals a metal-dependent nucleotide pyrophosphohydrolase
J.Struct.Biol., 195, 2016
5DQW
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BU of 5dqw by Molmil
The crystal structure of Bacillus subtilis YpgQ in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, NICKEL (II) ION, Uncharacterized protein
Authors:Jeon, Y.J, Song, W.S, Yoon, S.I.
Deposit date:2015-09-15
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and biochemical characterization of bacterial YpgQ protein reveals a metal-dependent nucleotide pyrophosphohydrolase
J.Struct.Biol., 195, 2016
5GY2
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BU of 5gy2 by Molmil
Crystal structure of a complex between Bacillus subtilis flagellin and zebrafish Toll-like receptor 5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Flagellin, ...
Authors:Song, W.S, Yoon, S.I.
Deposit date:2016-09-21
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A conserved TLR5 binding and activation hot spot on flagellin
Sci Rep, 7, 2017
5H5V
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BU of 5h5v by Molmil
Crystal structure of the flagellar cap protein FliD D1-D2-D3 domains from Escherichia coli
Descriptor: Flagellar hook-associated protein 2
Authors:Song, W.S, Cho, S.Y, Hong, H.J, Yoon, S.I.
Deposit date:2016-11-09
Release date:2017-02-22
Last modified:2017-04-05
Method:X-RAY DIFFRACTION (3 Å)
Cite:Self-Oligomerizing Structure of the Flagellar Cap Protein FliD and Its Implication in Filament Assembly.
J. Mol. Biol., 429, 2017
5HFY
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BU of 5hfy by Molmil
Backbone Modifications in the Protein GB1 Helix: beta-2-Ala24, beta-3-Lys28, beta-3-Lys31, beta-3-Asn35
Descriptor: Immunoglobulin G-binding protein G
Authors:Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S.
Deposit date:2016-01-07
Release date:2016-02-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Comparison of design strategies for alpha-helix backbone modification in a protein tertiary fold.
Chem.Commun.(Camb.), 52, 2016
5HG2
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BU of 5hg2 by Molmil
Backbone Modifications in the Protein GB1 Helix: beta-3-Ala24, beta-3-Lys28, beta-3-Lys31, beta-2-Asn35
Descriptor: GLYCEROL, Immunoglobulin G-binding protein G, MAGNESIUM ION
Authors:Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S.
Deposit date:2016-01-07
Release date:2016-02-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comparison of design strategies for alpha-helix backbone modification in a protein tertiary fold.
Chem.Commun.(Camb.), 52, 2016
5H5W
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BU of 5h5w by Molmil
Crystal structure of the flagellar cap protein FliD D2-D3 domains from Escherichia coli
Descriptor: Flagellar hook-associated protein 2
Authors:Song, W.S, Cho, S.Y, Hong, H.J, Yoon, S.I.
Deposit date:2016-11-09
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Self-Oligomerizing Structure of the Flagellar Cap Protein FliD and Its Implication in Filament Assembly.
J. Mol. Biol., 429, 2017

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