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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
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
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
8YJM
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BU of 8yjm by Molmil
Structure of human SPT16 MD-CTD and MCM2 HBD chaperoning a histone H3-H4 tetramer and a single chain H2B-H2A chimera
Descriptor: DNA replication licensing factor MCM2, FACT complex subunit SPT16, Histone H2B 1/2/3/4/6,Histone H2A type 1-D, ...
Authors:Gan, S.L, Yang, W.S, Xu, R.M.
Deposit date:2024-03-02
Release date:2024-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (4.15 Å)
Cite:Structure of a histone hexamer bound by the chaperone domains of SPT16 and MCM2.
Sci China Life Sci, 2024
8YJF
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BU of 8yjf by Molmil
Structure of human SPT16 MD-CTD and MCM2 HBD chaperoning a histone H3-H4 tetramer and an H2A-H2B dimer
Descriptor: DNA replication licensing factor MCM2, FACT complex subunit SPT16, Histone H2A type 1-D, ...
Authors:Gan, S.L, Yang, W.S, Xu, R.M.
Deposit date:2024-03-01
Release date:2024-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Structure of a histone hexamer bound by the chaperone domains of SPT16 and MCM2.
Sci China Life Sci, 2024
2Y8K
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BU of 2y8k by Molmil
Structure of CtGH5-CBM6, an arabinoxylan-specific xylanase.
Descriptor: CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL, ...
Authors:Firbank, S.J, Correia, M.A, Mazumder, K, Bras, J.L, Zhu, Y, Lewis, R.J, York, W.S, Fontes, C.M, Gilbert, H.J.
Deposit date:2011-02-07
Release date:2011-02-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure and Function of an Arabinoxylan-Specific Xylanase.
J.Biol.Chem., 286, 2011
2YJ1
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BU of 2yj1 by Molmil
Puma BH3 foldamer in complex with Bcl-xL
Descriptor: ALPHA-BETA-PUMA BH3 FOLDAMER, BCL-2-LIKE PROTEIN 1
Authors:Lee, E.F, Smith, B.J, Horne, W.S, Mayer, K.N, Evangelista, M, Colman, P.M, Gellman, S.H, Fairlie, W.D.
Deposit date:2011-05-18
Release date:2011-10-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural Basis of Bcl-Xl Recognition by a Bh3-Mimetic Alpha-Beta-Peptide Generated Via Sequence-Based Design
Chembiochem, 12, 2011
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
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
7C7Z
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BU of 7c7z by Molmil
Crystal structure of the flagellar junction protein FlgL from Legionella pneumophila
Descriptor: Flagellar hook-associated protein 3
Authors:Song, W.S, Hong, H.J, Yoon, S.I.
Deposit date:2020-05-27
Release date:2020-08-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural study of the flagellar junction protein FlgL from Legionella pneumophila.
Biochem.Biophys.Res.Commun., 529, 2020
7CBV
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BU of 7cbv by Molmil
Crystal structure of the transcriptional regulator PadR from Bacillus subtilis (space group H32)
Descriptor: PadR family transcriptional regulator
Authors:Park, S.C, Song, W.S, Yoon, S.I.
Deposit date:2020-06-14
Release date:2021-04-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Apo structure of the transcriptional regulator PadR from Bacillus subtilis: Structural dynamics and conserved Y70 residue.
Biochem.Biophys.Res.Commun., 530, 2020
7CKB
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BU of 7ckb by Molmil
Simplified Alpha-Carboxysome, T=3
Descriptor: Major carboxysome shell protein 1A, Unidentified carboxysome polypeptide
Authors:Tan, Y.Q, Ali, S, Xue, B, Robinson, R.C, Narita, A, Yew, W.S.
Deposit date:2020-07-16
Release date:2021-08-25
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Structure of a Minimal alpha-Carboxysome-Derived Shell and Its Utility in Enzyme Stabilization.
Biomacromolecules, 22, 2021
7CKC
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BU of 7ckc by Molmil
Simplified Alpha-Carboxysome, T=4
Descriptor: Major carboxysome shell protein 1A, Unidentified carboxysome polypeptide
Authors:Tan, Y.Q, Ali, S, Xue, B, Robinson, R.C, Narita, A, Yew, W.S.
Deposit date:2020-07-16
Release date:2021-08-25
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure of a Minimal alpha-Carboxysome-Derived Shell and Its Utility in Enzyme Stabilization.
Biomacromolecules, 22, 2021
7DHQ
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BU of 7dhq by Molmil
Structure of Halothiobacillus neapolitanus Microcompartments Protein CsoS1D
Descriptor: Microcompartments protein
Authors:Xue, B, Tan, Y.Q, Ali, S, Robinson, R.C, Narita, A, Yew, W.S.
Deposit date:2020-11-17
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of a Minimal alpha-Carboxysome-Derived Shell and Its Utility in Enzyme Stabilization.
Biomacromolecules, 22, 2021
7DWM
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BU of 7dwm by Molmil
Crystal structure of the phage VqmA-DPO complex
Descriptor: 3,5-dimethylpyrazin-2-ol, Transcriptional regulator
Authors:Gu, Y, Yang, W.S.
Deposit date:2021-01-17
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Understanding the mechanism of asymmetric gene regulation determined by the VqmA of vibriophage.
Biochem.Biophys.Res.Commun., 558, 2021
7E8Z
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BU of 7e8z by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with SS81
Descriptor: 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION
Authors:Tam, N.Y, Ng, Y.M, Shishodia, S, McDonough, M.A, Schofield, C.J, Aik, W.S.
Deposit date:2021-03-03
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors.
J.Med.Chem., 64, 2021
3ZXJ
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BU of 3zxj by Molmil
Engineering the active site of a GH43 glycoside hydrolase generates a biotechnologically significant enzyme that displays both endo- xylanase and exo-arabinofuranosidase activity
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, HIAXHD3, ...
Authors:McKee, L.S, Pena, M.J, Rogowski, A, Jackson, A, Lewis, R.J, York, W.S, Krogh, K.B.R.M, Vikso-Nielsen, A, Skjot, M, Gilbert, H.J, Marles-Wright, J.
Deposit date:2011-08-11
Release date:2012-04-18
Last modified:2012-05-02
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Introducing Endo-Xylanase Activity Into an Exo-Acting Arabinofuranosidase that Targets Side Chains.
Proc.Natl.Acad.Sci.USA, 109, 2012
3ZXK
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BU of 3zxk by Molmil
Engineering the active site of a GH43 glycoside hydrolase generates a biotechnologically significant enzyme that displays both endo- xylanase and exo-arabinofuranosidase activity
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIAXHD3, alpha-L-arabinofuranose-(1-2)-[beta-D-xylopyranose-(1-4)]beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:McKee, L.S, Pena, M.J, Rogowski, A, Jackson, A, Lewis, R.J, York, W.S, Krogh, K.B.R.M, Vikso-Nielsen, A, Skjot, M, Gilbert, H.J, Marles-Wright, J.
Deposit date:2011-08-11
Release date:2012-04-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Introducing Endo-Xylanase Activity Into an Exo-Acting Arabinofuranosidase that Targets Side Chains.
Proc.Natl.Acad.Sci.USA, 109, 2012
3ZXL
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BU of 3zxl by Molmil
Engineering the active site of a GH43 glycoside hydrolase generates a biotechnologically significant enzyme that displays both endo- xylanase and exo-arabinofuranosidase activity
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HIAXHD3
Authors:McKee, L.S, Pena, M.J, Rogowski, A, Jackson, A, Lewis, R.J, York, W.S, Krogh, K.B.R.M, Vikso-Nielsen, A, Skjot, M, Gilbert, H.J, Marles-Wright, J.
Deposit date:2011-08-11
Release date:2012-04-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.871 Å)
Cite:Introducing Endo-Xylanase Activity Into an Exo-Acting Arabinofuranosidase that Targets Side Chains.
Proc.Natl.Acad.Sci.USA, 109, 2012
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

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