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6KRG
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BU of 6krg by Molmil
Crystal structure of sfGFP Y182TMSiPhe
Descriptor: CHLORIDE ION, GLYCEROL, Green fluorescent protein, ...
Authors:Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P.
Deposit date:2019-08-21
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe.
Nat Commun, 11, 2020
7OVZ
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BU of 7ovz by Molmil
SOLUTION NMR STRUCTURE OF MAXIMIN 1 IN 50% TRIFLUOROETHANOL
Descriptor: Maximin-1
Authors:Timmons, P.B, Hewage, C.M.
Deposit date:2021-06-15
Release date:2021-10-13
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Biophysical study of the structure and dynamics of the antimicrobial peptide maximin 1.
J.Pept.Sci., 28, 2022
7P4X
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BU of 7p4x by Molmil
SOLUTION NMR STRUCTURE OF PALUSTRIN-CA IN 50% TRIFLUOROETHANOL
Descriptor: Palustrin-Ca antimicrobial peptide
Authors:Timmons, P.B, Hewage, C.M.
Deposit date:2021-07-13
Release date:2021-12-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Conformation and membrane interaction studies of the potent antimicrobial and anticancer peptide palustrin-Ca.
Sci Rep, 11, 2021
3MSP
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BU of 3msp by Molmil
MOTILE MAJOR SPERM PROTEIN (MSP) OF ASCARIS SUUM, NMR, 20 STRUCTURES
Descriptor: MAJOR SPERM PROTEIN
Authors:Haaf, A, Leclaire III, L, Roberts, G, Kent, H.M, Roberts, T.M, Stewart, M, Neuhaus, D.
Deposit date:1998-09-10
Release date:1999-04-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the motile major sperm protein (MSP) of Ascaris suum - evidence for two manganese binding sites and the possible role of divalent cations in filament formation.
J.Mol.Biol., 284, 1998
5MPZ
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BU of 5mpz by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP007
Descriptor: CREB-binding protein, methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-19
Release date:2017-05-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
6C3N
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BU of 6c3n by Molmil
Crystal structure of BCL6 BTB domain in complex with compound 7CC5
Descriptor: B-cell lymphoma 6 protein, N-(2-phenylethyl)-N'-pyridin-3-ylthiourea
Authors:Linhares, B, Cheng, H, Xue, F, Cierpicki, T.
Deposit date:2018-01-10
Release date:2019-01-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.53170586 Å)
Cite:Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
5MQE
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BU of 5mqe by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP006
Descriptor: 4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide, CREB-binding protein
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5MQK
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BU of 5mqk by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP019
Descriptor: 1-(1-methylindol-3-yl)ethanone, CREB-binding protein
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
7UGX
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BU of 7ugx by Molmil
Asp-bound GltPh RSMR mutant in IFS-B1 state
Descriptor: ASPARTIC ACID, Glutamate transporter homolog, SODIUM ION
Authors:Huang, Y, Boudker, O.
Deposit date:2022-03-25
Release date:2023-03-29
Last modified:2023-05-10
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Environmentally Ultrasensitive Fluorine Probe to Resolve Protein Conformational Ensembles by 19 F NMR and Cryo-EM.
J.Am.Chem.Soc., 145, 2023
7UGV
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BU of 7ugv by Molmil
Asp-bound GltPh RSMR mutant in IFS-A2 state
Descriptor: ASPARTIC ACID, Glutamate transporter homolog, SODIUM ION
Authors:Huang, Y, Boudker, O.
Deposit date:2022-03-25
Release date:2023-03-29
Last modified:2023-05-10
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Environmentally Ultrasensitive Fluorine Probe to Resolve Protein Conformational Ensembles by 19 F NMR and Cryo-EM.
J.Am.Chem.Soc., 145, 2023
6CQ1
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BU of 6cq1 by Molmil
BCL6 BTB domain in complex with 15a
Descriptor: 2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide, B-cell lymphoma 6 protein
Authors:Linhares, B.M, Cheng, H, Xue, F, Cierpicki, T.
Deposit date:2018-03-14
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.69921041 Å)
Cite:Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
6XV2
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BU of 6xv2 by Molmil
Full structure of RYMV P1 protein, derived from crystallographic and NMR data.
Descriptor: ZINC ION, p1
Authors:Poignavent, V, Hoh, F, Vignols, F, Demene, H, Yang, Y, Gillet, F.X.
Deposit date:2020-01-21
Release date:2021-02-03
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A Flexible and Original Architecture of Two Unrelated Zinc Fingers Underlies the Role of the Multitask P1 in RYMV Spread.
J.Mol.Biol., 434, 2022
6XFL
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BU of 6xfl by Molmil
Structural characterization of the type III secretion system pilotin-secretin complex InvH-InvG by NMR spectroscopy
Descriptor: Type 3 secretion system pilotin, Type 3 secretion system secretin
Authors:Majewski, D.D, Okon, M, Heinkel, F, Robb, C.S, Vuckovic, M, McIntosh, L.P, Strynadka, N.C.J.
Deposit date:2020-06-15
Release date:2020-09-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Characterization of the Pilotin-Secretin Complex from the Salmonella enterica Type III Secretion System Using Hybrid Structural Methods.
Structure, 29, 2021
5MQG
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BU of 5mqg by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP015
Descriptor: 1-(4-azanyl-3-methoxy-phenyl)ethanone, CREB-binding protein
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
6FGM
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BU of 6fgm by Molmil
The NMR solution structure of the peptide AC12 from Hypsiboas raniceps
Descriptor: ALA-CYS-PHE-LEU-THR-ARG-LEU-GLY-THR-TYR-VAL-CYS
Authors:Popov, C.S.F.C, Simas, B.S, Goodfellow, B.J, Bocca, A.L, Andrade, P.B, Pereira, D, Valentao, P, Pereira, P.J.B, Rodrigues, J.E, Veloso Jr, P.H.H, Rezende, T.M.B.
Deposit date:2018-01-11
Release date:2019-01-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Host-defense peptides AC12, DK16 and RC11 with immunomodulatory activity isolated from Hypsiboas raniceps skin secretion.
Peptides, 113, 2019
7K4L
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BU of 7k4l by Molmil
DENV1 SLA bottom stem RNA (DenvBS)
Descriptor: DenvSLA RNA
Authors:Sun, Y.T, Varani, G, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-15
Release date:2021-09-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of Denv1 5'UTR SLA region
To Be Published
5JS7
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BU of 5js7 by Molmil
Structural model of a apo G-protein alpha subunit determined with NMR residual dipolar couplings and SAXS
Descriptor: Guanine nucleotide-binding protein G(i) subunit alpha-1
Authors:Goricanec, D, Stehle, R, Grigoriu, S, Wagner, G, Hagn, F.
Deposit date:2016-05-07
Release date:2016-06-29
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Conformational dynamics of a G-protein alpha subunit is tightly regulated by nucleotide binding.
Proc.Natl.Acad.Sci.USA, 113, 2016
7M8R
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BU of 7m8r by Molmil
Complex structure of Methane monooxygenase hydroxylase and regulatory subunit with fluorosubstituted tryptophans
Descriptor: 1,1,1-tris(fluoranyl)propan-2-one, 1,2-ETHANEDIOL, BENZOIC ACID, ...
Authors:Johns, J.C, Banerjee, R, Shi, K, Semonis, M.M, Aihara, H, Pomerantz, W.C.K, Lipscomb, J.D.
Deposit date:2021-03-30
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Soluble Methane Monooxygenase Component Interactions Monitored by 19 F NMR.
Biochemistry, 60, 2021
7M8Q
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BU of 7m8q by Molmil
Complex structure of Methane monooxygenase hydroxylase and regulatory subunit with fluorosubstituted tryptophans
Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ...
Authors:Johns, J.C, Banerjee, R, Shi, K, Semonis, M.M, Aihara, H, Pomerantz, W.C.K, Lipscomb, J.D.
Deposit date:2021-03-30
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Soluble Methane Monooxygenase Component Interactions Monitored by 19 F NMR.
Biochemistry, 60, 2021
5L6R
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BU of 5l6r by Molmil
PrP226* - Solution-state NMR structure of truncated human prion protein
Descriptor: Major prion protein
Authors:Kovac, V, Zupancic, B, Ilc, G, Curin Serbec, V, Plavec, J.
Deposit date:2016-05-31
Release date:2016-10-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Truncated prion protein PrP226* - A structural view on its role in amyloid disease.
Biochem. Biophys. Res. Commun., 484, 2017
6G4K
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BU of 6g4k by Molmil
The solution NMR structure of brevinin-1BYa in sodium dodecyl sulphate micelles
Descriptor: Brevinin-1BYa
Authors:Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
Deposit date:2018-03-27
Release date:2019-10-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and positional studies of the antimicrobial peptide brevinin-1BYa in membrane-mimetic environments.
J.Pept.Sci., 25, 2019
6YP5
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BU of 6yp5 by Molmil
Solution NMR structure of the oligomerization domain of respiratory syncytial virus phosphoprotein
Descriptor: Phosphoprotein
Authors:Cardone, C, Bontems, F, Bardiaux, B, Sizun, C.
Deposit date:2020-04-15
Release date:2021-04-28
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A Structural and Dynamic Analysis of the Partially Disordered Polymerase-Binding Domain in RSV Phosphoprotein.
Biomolecules, 11, 2021
8X3A
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BU of 8x3a by Molmil
Solution NMR structure of cellulosomal double-dockerin module of Clo1313_0689 from Clostridium thermocellum
Descriptor: CALCIUM ION, Serine protease
Authors:Chen, C, Feng, Y.
Deposit date:2023-11-12
Release date:2024-04-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A cellulosomal double-dockerin module from Clostridium thermocellum shows distinct structural and cohesin-binding features.
Protein Sci., 33, 2024
7YYI
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BU of 7yyi by Molmil
Solution NMR structure of N-acetylglucosaminyltransferase V (GnTV) TMD
Descriptor: Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A
Authors:Silber, M, Muhle-Goll, C.
Deposit date:2022-02-17
Release date:2022-12-28
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Helical stability of the GnTV transmembrane domain impacts on SPPL3 dependent cleavage.
Sci Rep, 12, 2022
6CXR
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BU of 6cxr by Molmil
HRFLRH peptide NMR structure in the presence of Zn(II)
Descriptor: Hexapeptide HRFLRH
Authors:Pires, D.A.T, Arake, L.M.R, Silva, L.P, Lopez-Castillo, A, Prates, M.V, Nascimento, C.J, Bloch Jr, C.
Deposit date:2018-04-03
Release date:2018-07-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A previously undescribed hexapeptide His-Arg-Phe-Leu-Arg-His-NH2from amphibian skin secretion shows CO2and metal biding affinities.
Peptides, 106, 2018

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數據於2024-08-07公開中

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