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4D7G
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BU of 4d7g by Molmil
Human FXIa in complex with small molecule inhibitors.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COAGULATION FACTOR XIA, GLYCEROL, ...
Authors:Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T.
Deposit date:2014-11-24
Release date:2016-01-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd).
To be Published
6UD0
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BU of 6ud0 by Molmil
Solution-state NMR structural ensemble of human Tsg101 UEV in complex with K63-linked diubiquitin
Descriptor: Tumor susceptibility gene 101 protein, Ubiquitin
Authors:Strickland, M, Watanabe, S, Bonn, S.M, Camara, C.M, Fushman, D, Carter, C.A, Tjandra, N.
Deposit date:2019-09-18
Release date:2021-03-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Tsg101/ESCRT-I Recruitment Regulated by the Dual Binding Modes of K63-Linked Diubiquitin
Structure, 2021
3ZBE
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BU of 3zbe by Molmil
E. coli O157 ParE2-associated antitoxin 2 (PaaA2)
Descriptor: PAAA2
Authors:Sterckx, Y.G.J, Van Nuland, N.A.J, Vranken, W.F, Loris, R.
Deposit date:2012-11-08
Release date:2014-01-15
Last modified:2024-01-31
Method:SOLUTION NMR
Cite:Small-Angle X-Ray Scattering- and Nuclear Magnetic Resonance-Derived Conformational Ensemble of the Highly Flexible Antitoxin Paaa2.
Structure, 22, 2014
6TRM
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BU of 6trm by Molmil
Solution structure of the antifungal protein PAFC
Descriptor: Pc21g12970 protein
Authors:Czajlik, A, Holzknecht, J, Marx, F, Batta, G.
Deposit date:2019-12-19
Release date:2020-10-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution Structure, Dynamics, and New Antifungal Aspects of the Cysteine-Rich Miniprotein PAFC.
Int J Mol Sci, 22, 2021
7NWD
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BU of 7nwd by Molmil
Three-quartet c-kit2 G-quadruplex stabilized by a pyrene conjugate
Descriptor: POTASSIUM ION, c-kit2_py1
Authors:Peterkova, K, Durnik, I, Marek, R, Plavec, J, Podbevsek, P.
Deposit date:2021-03-16
Release date:2021-08-04
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:c-kit2 G-quadruplex stabilized via a covalent probe: exploring G-quartet asymmetry.
Nucleic Acids Res., 49, 2021
1MP7
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BU of 1mp7 by Molmil
A Third Complex of Post-Activated Neocarzinostatin Chromophore with DNA. Bulge DNA Binding from the Minor Groove
Descriptor: 5'-D(*GP*CP*CP*AP*GP*AP*GP*AP*GP*C)-3', [(R)-4-((1,3-DIOXOLANE-2-OXY)-4-(S)-YL)-4-HYDROXY]-(R)-10-(2-METHYLAMINO-5-METHYL-2,6-DIDEOXYGALACTOPYRANOSYL-OXY)-(R)-11-(2-HYDROXY-5-METHYL-7-METHOXY-1-NAPHTHOYL-OXY)-(R)-12-S-GLUTATHIONYL-4,10,11,12-TETRAHYDROINDACENE
Authors:Kwon, Y, Xi, Z, Kappen, L.S, Goldberg, I.H, Gao, X.
Deposit date:2002-09-11
Release date:2003-02-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:New Complex of Post-Activated Neocarzinostatin Chromophore with DNA: Bulge DNA Binding from the Minor Groove
Biochemistry, 42, 2003
5L2G
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BU of 5l2g by Molmil
Solution Structure of a DNA Dodecamer with 5-methylcytosine at the 9th Position
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(5CM)P*GP*CP*G)-3')
Authors:Miears, H.L, Hoppins, J.J, Gruber, D.R, Kasymov, R.D, Johnson, E.C, Zharkov, D.O, Smirnov, S.L.
Deposit date:2016-08-01
Release date:2016-12-21
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Oxidative damage to epigenetically methylated sites affects DNA stability, dynamics and enzymatic demethylation.
Nucleic Acids Res., 46, 2018
1MFK
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BU of 1mfk by Molmil
Structure of Prokaryotic SECIS mRNA Hairpin
Descriptor: 5'-R(P*GP*GP*CP*GP*GP*UP*UP*GP*CP*AP*GP*GP*UP*CP*UP*GP*CP*AP*CP*CP*GP*CP*C)-3'
Authors:Fourmy, D, Guittet, E, Yoshizawa, S.
Deposit date:2002-08-12
Release date:2002-11-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of Prokaryotic SECIS mRNA Hairpin and its Interaction with Elongation Factor SELB
J.Mol.Biol., 324, 2002
1MA5
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BU of 1ma5 by Molmil
Tachyplesin I solution structure in the presence of 300mM Dodecylphosphocholine micelles
Descriptor: Tachyplesin 1
Authors:Laederach, A, Andreotti, A.H, Fulton, D.B.
Deposit date:2002-07-31
Release date:2002-10-16
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution and micelle-bound structures of tachyplesin I and its active linear derivatives
Biochemistry, 41, 2002
1VNB
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BU of 1vnb by Molmil
PROTON NUCLEAR MAGNETIC RESONANCE AND DISTANCE GEOMETRY(SLASH)SIMULATED ANNEALING STUDIES ON THE VARIANT-1 NEUROTOXIN FROM THE NEW WORLD SCORPION CENTRUROIDES SCULPTURATUS EWING
Descriptor: NEUROTOXIN
Authors:Lee, W, Krishna, N.R.
Deposit date:1993-10-26
Release date:1994-01-31
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Proton nuclear magnetic resonance and distance geometry/simulated annealing studies on the variant-1 neurotoxin from the New World scorpion Centruroides sculpturatus Ewing.
Biochemistry, 33, 1994
1VNA
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BU of 1vna by Molmil
PROTON NUCLEAR MAGNETIC RESONANCE AND DISTANCE GEOMETRY(SLASH)SIMULATED ANNEALING STUDIES ON THE VARIANT-1 NEUROTOXIN FROM THE NEW WORLD SCORPION CENTRUROIDES SCULPTURATUS EWING
Descriptor: NEUROTOXIN
Authors:Lee, W, Krishna, N.R.
Deposit date:1993-10-26
Release date:1994-01-31
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Proton nuclear magnetic resonance and distance geometry/simulated annealing studies on the variant-1 neurotoxin from the New World scorpion Centruroides sculpturatus Ewing.
Biochemistry, 33, 1994
1MFY
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BU of 1mfy by Molmil
SOLUTION STRUCTURE OF INFLUENZA A VIRUS C4 PROMOTER
Descriptor: C4 promoter of influneza A virus
Authors:Lee, M.-K, Bae, S.-H, Park, C.-J, Cheong, H.-K, Cheong, C, Choi, B.-S.
Deposit date:2002-08-14
Release date:2002-09-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A single-nucleotide natural variation (U4 to C4) in an influenza A virus promoter exhibits a large structural change: implications for differential viral RNA synthesis by RNA-dependent RNA polymerase.
Nucleic Acids Res., 31, 2003
1MR6
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BU of 1mr6 by Molmil
Solution Structure of gamma-Bungarotoxin:Implication for the role of the Residues Adjacent to RGD in Integrin Binding
Descriptor: neurotoxin
Authors:Chuang, W.-J, Shiu, J.-H, Chen, C.-Y, Chen, Y.-C, Chang, L.-S.
Deposit date:2002-09-18
Release date:2004-05-18
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of gamma-bungarotoxin: The functional significance of amino acid residues flanking the RGD motif in integrin binding
Proteins, 57, 2004
1MX8
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BU of 1mx8 by Molmil
Two homologous rat cellular retinol-binding proteins differ in local structure and flexibility
Descriptor: CELLULAR RETINOL-BINDING PROTEIN I, HOLO, RETINOL
Authors:Lu, J, Cistola, D.P, Li, E.
Deposit date:2002-10-01
Release date:2003-07-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Two homologous rat cellular retinol-binding proteins differ in local conformational flexibility.
J.Mol.Biol., 330, 2003
1MXP
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BU of 1mxp by Molmil
Solution structure of the ribbon disulfide bond isomer of alpha-conotoxin AuIB
Descriptor: alpha-conotoxin AuIB
Authors:Dutton, J.L, Bansal, P.S, Hogg, R.C, Adams, D.J, Alewood, P.F, Craik, D.J.
Deposit date:2002-10-03
Release date:2002-12-30
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:A New Level of Conotoxin Diversity, a Non-native Disulfide Bond Connectivity in alpha -Conotoxin AuIB Reduces Structural Definition but Increases Biological Activity.
J.Biol.Chem., 277, 2002
1N09
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BU of 1n09 by Molmil
A minimal beta-hairpin peptide scaffold for beta-turn display
Descriptor: bhpW, disulfide cyclized beta-hairpin peptide
Authors:Russell, S.J, Blandl, T, Skelton, N.J, Cochran, A.G.
Deposit date:2002-10-11
Release date:2003-02-04
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Stability of cyclic beta-hairpins: asymmetric contributions from side chains of a hydrogen-bonded cross-strand residue pair
J.Am.Chem.Soc., 125, 2003
7BQS
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BU of 7bqs by Molmil
Solution NMR structure of fold-U Nomur; de novo designed protein with an asymmetric all-alpha topology
Descriptor: Nomur
Authors:Kobayashi, N, Nagashima, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N.
Deposit date:2020-03-25
Release date:2021-04-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design of complicated all-alpha protein structures
Nat.Struct.Mol.Biol., 2024
7BQR
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BU of 7bqr by Molmil
Solution NMR structure of fold-K Mussoc; de novo designed protein with an asymmetric all-alpha topology
Descriptor: Mussoc
Authors:Kobayashi, N, Nagashima, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N.
Deposit date:2020-03-25
Release date:2021-04-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design of complicated all-alpha protein structures
Nat.Struct.Mol.Biol., 2024
6K5W
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BU of 6k5w by Molmil
Solution structure of the chromodomain of yeast Eaf3
Descriptor: Chromatin modification-related protein EAF3
Authors:Okuda, M, Nishimura, Y.
Deposit date:2019-05-31
Release date:2020-02-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Eaf3 chromodomain acts as a pH sensor for gene expression by altering its binding affinity for histone methylated-lysine residues.
Biosci.Rep., 40, 2020
8K3N
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BU of 8k3n by Molmil
Solution NMR structure of cis X-Pro peptide bond conformer of a single disulfide conopeptide Mo1853
Descriptor: Mo1853
Authors:Kancherla, A.K, Sarma, S.P.
Deposit date:2023-07-16
Release date:2023-12-06
Method:SOLUTION NMR
Cite:Solution structures and thermodynamics of cis-trans X-Pro conformers of a novel single disulfide conopeptide.
Indian J.Biochem.Biophys., 60, 2023
8K3M
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BU of 8k3m by Molmil
Solution NMR structure of trans X-Pro peptide bond conformer of a single disulfide conopeptide Mo1853
Descriptor: Mo1853
Authors:Kancherla, A.K, Sarma, S.P.
Deposit date:2023-07-16
Release date:2023-12-06
Method:SOLUTION NMR
Cite:Solution structures and thermodynamics of cis-trans X-Pro conformers of a novel single disulfide conopeptide.
Indian J.Biochem.Biophys., 60, 2023
7Z9L
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BU of 7z9l by Molmil
Phen-DC3 intercalation causes hybrid-to-antiparallel transformation of human telomeric DNA G-quadruplex
Descriptor: DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), N2,N9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide
Authors:Ghosh, A, Trajkovski, M, Teulade-Fichou, M.P, Gabelica, V, Plavec, J.
Deposit date:2022-03-21
Release date:2022-08-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Phen-DC 3 Induces Refolding of Human Telomeric DNA into a Chair-Type Antiparallel G-Quadruplex through Ligand Intercalation.
Angew.Chem.Int.Ed.Engl., 61, 2022
6LZP
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BU of 6lzp by Molmil
The solution structure of N-terminal elongated hSNF5 RPT1 domain
Descriptor: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1
Authors:Lee, W, Han, J, Kim, I, Suh, J.Y.
Deposit date:2020-02-19
Release date:2020-12-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A Coil-to-Helix Transition Serves as a Binding Motif for hSNF5 and BAF155 Interaction.
Int J Mol Sci, 21, 2020
3NCM
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BU of 3ncm by Molmil
NEURAL CELL ADHESION MOLECULE, MODULE 2, NMR, 20 STRUCTURES
Descriptor: PROTEIN (NEURAL CELL ADHESION MOLECULE, LARGE ISOFORM)
Authors:Jensen, P.H, Soroka, V, Thomsen, N.K, Berezin, V, Bock, E, Poulsen, F.M.
Deposit date:1998-09-21
Release date:1999-07-23
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structure and interactions of NCAM modules 1 and 2, basic elements in neural cell adhesion
Nat.Struct.Biol., 6, 1999
6MJV
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BU of 6mjv by Molmil
A consensus human beta defensin
Descriptor: Human beta-defensin
Authors:Amero, C, Villegas-Moreno, J, Rodriguez, A, Norton, R.S, Corzo, G.
Deposit date:2018-09-22
Release date:2019-08-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Antimicrobial activity and structure of a consensus human beta-defensin and its comparison to a novel putative hBD10.
Proteins, 88, 2020

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