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All PDB entries with NMR restraints data
6WQJ
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BU of 6wqj by Molmil
Solution structure of vicilin-buried peptide-10 from cucumber
Descriptor: Vicilin-buried peptide-10
Authors:Payne, C.D, Rosengren, K.J.
Deposit date:2020-04-29
Release date:2020-10-21
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Defining the Familial Fold of the Vicilin-Buried Peptide Family.
J.Nat.Prod., 83, 2020
6WQL
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BU of 6wql by Molmil
Solution structure of the seed peptide C2 (VBP-1) from pumpkin
Descriptor: Seed peptide C2 (VBP-1)
Authors:Payne, C.P, Rosengren, K.J.
Deposit date:2020-04-29
Release date:2020-10-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Defining the Familial Fold of the Vicilin-Buried Peptide Family.
J.Nat.Prod., 83, 2020
6WQR
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BU of 6wqr by Molmil
NMR solution structure of leech peptide HSTX-I
Descriptor: HSTX-I
Authors:Schroeder, C.I, McMahon, K.L.
Deposit date:2020-04-29
Release date:2020-06-24
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Pharmacological activity and NMR solution structure of the leech peptide HSTX-I.
Biochem Pharmacol, 181, 2020
6WUX
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BU of 6wux by Molmil
NMR soltution structure of homotarsinin homodimer - Htr
Descriptor: Homotarsinin
Authors:Verly, R.M.
Deposit date:2020-05-05
Release date:2021-05-05
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Structure and membrane interactions of the homodimeric antibiotic peptide homotarsinin.
Sci Rep, 7, 2017
6X1K
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BU of 6x1k by Molmil
Solution NMR structure of de novo designed TMB2.3
Descriptor: De novo designed transmembrane beta-barrel TMB2.3
Authors:Liang, B, Vorobieva, A.A, Chow, C.M, Baker, D, Tamm, L.K.
Deposit date:2020-05-19
Release date:2021-02-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:De novo design of transmembrane beta barrels.
Science, 371, 2021
6X46
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BU of 6x46 by Molmil
NMR solution structure of Asterix/Gtsf1 from mouse (CHHC zinc finger domains)
Descriptor: Gametocyte-specific factor 1, ZINC ION
Authors:Ipsaro, J.J, O'Brien, P.A, Bhattacharya, S, Palmer III, A.G, Joshua-Tor, L.
Deposit date:2020-05-22
Release date:2021-03-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Asterix/Gtsf1 links tRNAs and piRNA silencing of retrotransposons.
Cell Rep, 34, 2021
6X4X
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BU of 6x4x by Molmil
B24Y DKP insulin
Descriptor: Insulin, Insulin chain A
Authors:Weiss, M.A, Yang, Y.
Deposit date:2020-05-24
Release date:2020-08-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Evolution of insulin at the edge of foldability and its medical implications.
Proc.Natl.Acad.Sci.USA, 117, 2020
6X63
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BU of 6x63 by Molmil
Atomic-Resolution Structure of HIV-1 Capsid Tubes by Magic Angle Spinning NMR
Descriptor: HIV-1 capsid protein
Authors:Lu, M, Russell, R.W, Bryer, A, Quinn, C.M, Hou, G, Zhang, H, Schwieters, C.D, Perilla, J.R, Gronenborn, A.M, Polenova, T.
Deposit date:2020-05-27
Release date:2020-09-02
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Atomic-resolution structure of HIV-1 capsid tubes by magic-angle spinning NMR.
Nat.Struct.Mol.Biol., 27, 2020
6X6N
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BU of 6x6n by Molmil
NMR structure of the putative GTPase-Activating (GAP) domain of VopE
Descriptor: Outer membrane virulence protein yopE
Authors:Smith, K.P, Lee, W, Tonelli, M.
Deposit date:2020-05-28
Release date:2021-12-22
Last modified:2024-05-15
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Solution structure and dynamics of the mitochondrial-targeted GTPase-activating protein (GAP) VopE by an integrated NMR/SAXS approach.
Protein Sci., 31, 2022
6X7I
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BU of 6x7i by Molmil
Structure of the C-terminal domain of BCL-XL in membrane
Descriptor: Bcl-2-like protein 1
Authors:Yao, Y, Tian, Y, Marassi, F.M.
Deposit date:2020-05-30
Release date:2020-07-01
Last modified:2024-05-15
Method:SOLID-STATE NMR, SOLUTION NMR
Cite:Conformational States of the Cytoprotective Protein Bcl-xL.
Biophys.J., 119, 2020
6X8R
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BU of 6x8r by Molmil
Pharmacological characterisation and NMR structure of the novel mu-conotoxin SxIIIC, a potent irreversible NaV channel inhibitor
Descriptor: SxIIIC peptide
Authors:Schroeder, C.I, McMahon, K.L.
Deposit date:2020-06-01
Release date:2020-10-21
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Discovery, Pharmacological Characterisation and NMR Structure of the Novel μ-Conotoxin SxIIIC, a Potent and Irreversible Na V Channel Inhibitor.
Biomedicines, 8, 2020
6XAH
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BU of 6xah by Molmil
Structure of a Stable Interstrand DNA Crosslink Involving an dA Amino Group and an Abasic Site
Descriptor: DNA (5'-D(*TP*AP*GP*AP*TP*GP*AP*AP*CP*(AAB)P*TP*AP*GP*AP*CP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*GP*TP*CP*TP*AP*AP*GP*TP*TP*CP*AP*TP*CP*TP*A)-3')
Authors:Kellum Jr, A.H, Qiu, D, Voehler, M.W, Martin, W.J, Gates, K.S, Stone, M.P.
Deposit date:2020-06-04
Release date:2021-05-05
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of a Stable Interstrand DNA Cross-Link Involving a beta- N -Glycosyl Linkage Between an N 6 -dA Amino Group and an Abasic Site.
Biochemistry, 60, 2021
6XB7
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BU of 6xb7 by Molmil
IRES-targeting Small Molecule Inhibits Enterovirus 71 Replication via Allosteric Stabilization of a Ternary Complex
Descriptor: 3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide, RNA (41-MER)
Authors:Tolbert, B.S, Davila, J, Sugarman, A.L, Chiu, L.Y.
Deposit date:2020-06-05
Release date:2020-09-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:IRES-targeting small molecule inhibits enterovirus 71 replication via allosteric stabilization of a ternary complex.
Nat Commun, 11, 2020
6XCR
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BU of 6xcr by Molmil
NMR structure of Ost4 in DPC micelles
Descriptor: Oligosaccharyltransferase
Authors:Chaudhary, B.P.
Deposit date:2020-06-09
Release date:2021-02-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR and MD simulations reveal the impact of the V23D mutation on the function of yeast oligosaccharyltransferase subunit Ost4.
Glycobiology, 31, 2021
6XCU
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BU of 6xcu by Molmil
NMR structure of Ost4V23D, a critical mutant of Ost4, in DPC micelles
Descriptor: Oligosaccharyltransferase
Authors:Chaudhary, B.P.
Deposit date:2020-06-09
Release date:2021-02-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR and MD simulations reveal the impact of the V23D mutation on the function of yeast oligosaccharyltransferase subunit Ost4.
Glycobiology, 31, 2021
6XEH
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BU of 6xeh by Molmil
Solution NMR Structure of DE NOVO DESIGNED Rossmann 2x3 Fold Protein r2x3_168, Northeast Structural Genomics Consortium (NESG) Target OR386
Descriptor: DE NOVO DESIGNED OR386
Authors:Liu, G, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2020-06-12
Release date:2020-08-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Role of backbone strain in de novo design of complex alpha/beta protein structures Accurate de novo design of asymetric alpha/beta proteins with ten or more secondary structure elements requires consideration of backbone strain Design principle proposed from designed larger alpha/beta-proteins not folded as designed: Consistency between local, non-local, and global structures
To Be Published
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
6XMN
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BU of 6xmn by Molmil
Solution NMR CXCL8-CXCR1 N-domain complex structure
Descriptor: C-X-C chemokine receptor type 1, Interleukin-8
Authors:Sepuru, K.M, Rajarathnam, K.
Deposit date:2020-06-30
Release date:2021-07-07
Method:SOLUTION NMR
Cite:Solution NMR CXCL8-CXCR1 N-domain complex structure
To Be Published
6XN9
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BU of 6xn9 by Molmil
Solution NMR structure of recifin, a cysteine-rich tyrosyl-DNA Phosphodiesterase I modulatory peptide from the marine sponge Axinella sp.
Descriptor: Recifin modulatory peptide
Authors:Schroeder, C.I, Rosengren, K.J, O'Keefe, B.R.
Deposit date:2020-07-02
Release date:2021-02-10
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Recifin A, Initial Example of the Tyr-Lock Peptide Structural Family, Is a Selective Allosteric Inhibitor of Tyrosyl-DNA Phosphodiesterase I.
J.Am.Chem.Soc., 142, 2020
6XOR
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BU of 6xor by Molmil
Structure of the Self-Association Domain of Swallow
Descriptor: Protein swallow
Authors:Loening, N.M, Barbar, E.
Deposit date:2020-07-07
Release date:2021-03-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural characterization of the self-association domain of swallow.
Protein Sci., 30, 2021
6XQC
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BU of 6xqc by Molmil
UbKEKS
Descriptor: Polyubiquitin-B
Authors:Delattre, P, Letourneau, D, Lavigne, P, Roucou, X, Boisvert, F.M.
Deposit date:2020-07-09
Release date:2021-05-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of UbKEKS
To Be Published
6XQJ
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BU of 6xqj by Molmil
Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A
Descriptor: Protein Vpr,UV excision repair protein RAD23 homolog A, ZINC ION
Authors:Byeon, I.-J.L, Calero, G, Wu, Y, Byeon, C.H, Gronenborn, A.M.
Deposit date:2020-07-09
Release date:2021-11-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A.
Nat Commun, 12, 2021
6XR6
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BU of 6xr6 by Molmil
Abl 1b isoform active state
Descriptor: Tyrosine-protein kinase ABL1
Authors:Xie, T, Saleh, T, Rossi, P, Kalodimos, C.G.
Deposit date:2020-07-11
Release date:2020-10-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational states dynamically populated by a kinase determine its function.
Science, 370, 2020
6XR7
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BU of 6xr7 by Molmil
Abl isoform 1b inactive1 state
Descriptor: Tyrosine-protein kinase ABL1
Authors:Xie, T, Saleh, T, Rossi, P, Kalodimos, C.G.
Deposit date:2020-07-11
Release date:2020-10-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational states dynamically populated by a kinase determine its function.
Science, 370, 2020
6XRG
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BU of 6xrg by Molmil
Abl 1b isoform inactive2 state
Descriptor: Tyrosine-protein kinase ABL1
Authors:Xie, T, Saleh, T, Rossi, P, Kalodimos, C.G.
Deposit date:2020-07-12
Release date:2020-10-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational states dynamically populated by a kinase determine its function.
Science, 370, 2020

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