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7RJF
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BU of 7rjf by Molmil
MOPD-1 mutant-L47W
Descriptor: MALONATE ION, ZINC ION, [L47W]MOPD-1
Authors:Huawu, Y, Conan, K.W, Gordon, J.K, Brett, M.C, Yen-Hua, H, David, J.C.
Deposit date:2021-07-20
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rational Design of Potent Peptide Inhibitors of the PD-1:PD-L1 Interaction for Cancer Immunotherapy.
J.Am.Chem.Soc., 143, 2021
8GW0
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BU of 8gw0 by Molmil
Crystal structure of the human dihydroorotase domain in complex with malic acid
Descriptor: (2S)-2-hydroxybutanedioic acid, CAD protein, ZINC ION
Authors:Yang, P.C, Liu, H.W, Huang, H.Y, Huang, C.Y.
Deposit date:2022-09-16
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Complexed Crystal Structure of the Dihydroorotase Domain of Human CAD Protein with the Anticancer Drug 5-Fluorouracil.
Biomolecules, 13, 2023
8GW5
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BU of 8gw5 by Molmil
Crystal structure of SaSsbA complexed with glycerol
Descriptor: GLYCEROL, Single-stranded DNA-binding protein
Authors:Yang, P.C, Huang, H.Y, Huang, C.Y.
Deposit date:2022-09-16
Release date:2023-09-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of DNA Replication Protein SsbA Complexed with the Anticancer Drug 5-Fluorouracil.
Int J Mol Sci, 24, 2023
8GVZ
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BU of 8gvz by Molmil
Crystal structure of the human dihydroorotase domain in complex with the anticancer drug 5-fluorouracil
Descriptor: 5-FLUOROURACIL, CAD protein, ZINC ION
Authors:Liu, H.W, Yang, P.C, Huang, H.Y, Huang, C.Y.
Deposit date:2022-09-16
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Complexed Crystal Structure of the Dihydroorotase Domain of Human CAD Protein with the Anticancer Drug 5-Fluorouracil.
Biomolecules, 13, 2023
6PI2
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BU of 6pi2 by Molmil
NMR Solution structure of native tachyplesin II peptide
Descriptor: Tachyplesin II
Authors:Harvey, P.J, Troeira Henriques, S, Vernen, F.
Deposit date:2019-06-25
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Characterization of Tachyplesin Peptides and Their Cyclized Analogues to Improve Antimicrobial and Anticancer Properties.
Int J Mol Sci, 20, 2019
6PI3
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BU of 6pi3 by Molmil
NMR Solution structure of native tachyplesin III peptide
Descriptor: Tachyplesin-3
Authors:Harvey, P.J, Troeira Henriques, S, Vernen, F.
Deposit date:2019-06-25
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Characterization of Tachyplesin Peptides and Their Cyclized Analogues to Improve Antimicrobial and Anticancer Properties.
Int J Mol Sci, 20, 2019
6PIO
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BU of 6pio by Molmil
NMR Solution structure of cyclic tachyplesin II
Descriptor: Tachyplesin-2
Authors:Harvey, P.J, Troeira Henriques, S, Vernen, F.
Deposit date:2019-06-26
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Characterization of Tachyplesin Peptides and Their Cyclized Analogues to Improve Antimicrobial and Anticancer Properties.
Int J Mol Sci, 20, 2019
6PIN
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BU of 6pin by Molmil
NMR Solution structure of cyclic tachyplesin I
Descriptor: Tachyplesin-1
Authors:Harvey, P.J, Troeira Henriques, S, Vernen, F.
Deposit date:2019-06-26
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Characterization of Tachyplesin Peptides and Their Cyclized Analogues to Improve Antimicrobial and Anticancer Properties.
Int J Mol Sci, 20, 2019
6PIP
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BU of 6pip by Molmil
NMR Solution structure of cyclic tachyplesin III
Descriptor: Tachyplesin-3
Authors:Harvey, P.J, Troeira Henriques, S, Vernen, F.
Deposit date:2019-06-26
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Characterization of Tachyplesin Peptides and Their Cyclized Analogues to Improve Antimicrobial and Anticancer Properties.
Int J Mol Sci, 20, 2019
4Y60
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BU of 4y60 by Molmil
Structure of SOX18-HMG/PROX1-DNA
Descriptor: DNA (5'-D(*CP*AP*CP*TP*AP*GP*CP*AP*TP*TP*GP*TP*CP*TP*GP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*CP*AP*GP*AP*CP*AP*AP*TP*GP*CP*TP*AP*GP*T)-3'), Transcription factor SOX-18
Authors:Narasimhan, K, Prokoph, N, Kolatkar, P, Robinson, H, Jauch, R.
Deposit date:2015-02-12
Release date:2016-03-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and decoy-mediated inhibition of the SOX18/Prox1-DNA interaction.
Nucleic Acids Res., 44, 2016
5WE3
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BU of 5we3 by Molmil
Solution NMR structure of PaurTx-3
Descriptor: Beta-theraphotoxin-Ps1a
Authors:Agwa, A.J, Schroeder, C.I.
Deposit date:2017-07-06
Release date:2017-09-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Lengths of the C-Terminus and Interconnecting Loops Impact Stability of Spider-Derived Gating Modifier Toxins.
Toxins (Basel), 9, 2017
2MH1
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BU of 2mh1 by Molmil
Enzymatic cyclisation of kalata B1 using sortase A
Descriptor: Kalata-B1
Authors:Jia, X, Schroeder, C.I.
Deposit date:2013-11-12
Release date:2014-01-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Semienzymatic Cyclization of Disulfide-rich Peptides Using Sortase A.
J.Biol.Chem., 289, 2014
7UBI
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BU of 7ubi by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TT conformation, 47%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBC
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BU of 7ubc by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in d6-DMSO with cis/trans switching
Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:Ramelot, T.A, Tejero, R, Monteltione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBG
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BU of 7ubg by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (A-TT conformation)
Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBD
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BU of 7ubd by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (A-CC conformation)
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBF
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BU of 7ubf by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBH
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BU of 7ubh by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in CDCl3 with cis/trans switching
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UCP
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BU of 7ucp by Molmil
computationally designed macrocycle
Descriptor: computationally designed cyclic peptide D8.3.p2
Authors:Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M.
Deposit date:2022-03-17
Release date:2022-09-14
Last modified:2022-09-28
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBE
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BU of 7ube by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in d6-DMSO with cis/trans switching
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7V8L
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BU of 7v8l by Molmil
LolCDE with bound RcsF in nanodiscs
Descriptor: (2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, ...
Authors:Bei, W.W, Luo, Q.S, Shi, H.G, Zhang, X.Z, Huang, Y.H.
Deposit date:2021-08-23
Release date:2022-09-21
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of LolCDE reveal the molecular mechanism of bacterial lipoprotein sorting in Escherichia coli.
Plos Biol., 20, 2022
7UZL
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BU of 7uzl by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (B-TC conformation)
Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-09
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7V8I
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BU of 7v8i by Molmil
LolCD(E171Q)E with bound AMPPNP in nanodiscs
Descriptor: Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, Lipoprotein-releasing system transmembrane protein LolE, ...
Authors:Bei, W.W, Luo, Q.S, Shi, H.G, Zhang, X.Z, Huang, Y.H.
Deposit date:2021-08-23
Release date:2022-08-31
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structures of LolCDE reveal the molecular mechanism of bacterial lipoprotein sorting in Escherichia coli.
Plos Biol., 20, 2022
7VUM
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BU of 7vum by Molmil
Crystal structure of SSB complexed with que
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Single-stranded DNA-binding protein
Authors:Lin, E.S, Huang, Y.H, Huang, C.Y.
Deposit date:2021-11-03
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.319 Å)
Cite:A Complexed Crystal Structure of a Single-Stranded DNA-Binding Protein with Quercetin and the Structural Basis of Flavonol Inhibition Specificity.
Int J Mol Sci, 23, 2022
7V8M
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BU of 7v8m by Molmil
LolCDE-apo in nanodiscs
Descriptor: Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, Lipoprotein-releasing system transmembrane protein LolE
Authors:Luo, Q.S, Bei, W.W, Shi, H.G, Zhang, X.Z, Huang, Y.H.
Deposit date:2021-08-23
Release date:2022-08-31
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structures of LolCDE reveal the molecular mechanism of bacterial lipoprotein sorting in Escherichia coli.
Plos Biol., 20, 2022

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