7PQ4
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7M1W
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5LWC
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![BU of 5lwc by Molmil](/molmil-images/mine/5lwc) | NMR solution structure of bacteriocin BacSp222 from Staphylococcus pseudintermedius 222 | Descriptor: | Bacteriocin BacSp222 | Authors: | Nowakowski, M.E, Ejchart, A.O, Jaremko, L, Wladyka, B, Mak, P. | Deposit date: | 2016-09-15 | Release date: | 2017-10-25 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Spatial attributes of the four-helix bundle group of bacteriocins - The high-resolution structure of BacSp222 in solution. Int.J.Biol.Macromol., 107, 2018
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6BJF
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![BU of 6bjf by Molmil](/molmil-images/mine/6bjf) | NMR Structural and biophysical functional analysis of intracellular loop 5 of the NHE1 isoform of the Na+/H+ exchanger. | Descriptor: | GLY-LEU-THR-TRP-PHE-ILE-ASN-LYS-PHE-ARG-ILE-VAL-LYS | Authors: | McKay, R, Wong, K, Towle, K, Fliegel, L. | Deposit date: | 2017-11-06 | Release date: | 2018-11-14 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Diverse residues of intracellular loop 5 of the Na+/H+exchanger modulate proton sensing, expression, activity and targeting. Biochim Biophys Acta Biomembr, 1861, 2019
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7P55
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7P5Q
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7P5S
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7P5G
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8B1L
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5O2Y
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![BU of 5o2y by Molmil](/molmil-images/mine/5o2y) | NMR structure of the calcium bound form of PulG, major pseudopilin from Klebsiella oxytoca T2SS | Descriptor: | CALCIUM ION, General secretion pathway protein G | Authors: | Lopez-Castilla, A, Bardiaux, B, Vitorge, B, Thomassin, J.-L, Zheng, W, Yu, X, Egelman, E.H, Nilges, M, Francetic, O, Izadi-Pruneyre, N. | Deposit date: | 2017-05-23 | Release date: | 2017-10-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of the calcium-dependent type 2 secretion pseudopilus. Nat Microbiol, 2, 2017
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4Q03
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![BU of 4q03 by Molmil](/molmil-images/mine/4q03) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 4-bromobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.201 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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4PZY
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![BU of 4pzy by Molmil](/molmil-images/mine/4pzy) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 2-chloro-1-(1H-indol-3-yl)ethanone, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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4Q01
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![BU of 4q01 by Molmil](/molmil-images/mine/4q01) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, K-Ras, MAGNESIUM ION, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.291 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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4PZZ
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![BU of 4pzz by Molmil](/molmil-images/mine/4pzz) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 1H-benzimidazol-2-ylmethanethiol, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.403 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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4Q02
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![BU of 4q02 by Molmil](/molmil-images/mine/4q02) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 3,4-difluorobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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4A52
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![BU of 4a52 by Molmil](/molmil-images/mine/4a52) | NMR structure of the imipenem-acylated L,D-transpeptidase from Bacillus subtilis | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, PUTATIVE L, D-TRANSPEPTIDASE YKUD | Authors: | Lecoq, L, Simorre, J, Bougault, C, Arthur, M, Hugonnet, J, Veckerle, C, Pessey, O. | Deposit date: | 2011-10-24 | Release date: | 2012-05-30 | Last modified: | 2018-01-24 | Method: | SOLUTION NMR | Cite: | Dynamics Induced by Beta-Lactam Antibiotics in the Active Site of Bacillus subtilis L,D-Transpeptidase. Structure, 20, 2012
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7X8M
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![BU of 7x8m by Molmil](/molmil-images/mine/7x8m) | NMR Solution Structure of the 2:1 Berberine-KRAS-G4 Complex | Descriptor: | BERBERINE, DNA (24-MER) | Authors: | Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y. | Deposit date: | 2022-03-14 | Release date: | 2022-09-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine. Nat Commun, 13, 2022
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7X8O
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![BU of 7x8o by Molmil](/molmil-images/mine/7x8o) | NMR Solution Structure of the 2:1 Coptisine-KRAS-G4 Complex | Descriptor: | 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, DNA (24-MER) | Authors: | Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y. | Deposit date: | 2022-03-14 | Release date: | 2022-09-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine. Nat Commun, 13, 2022
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7X8N
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![BU of 7x8n by Molmil](/molmil-images/mine/7x8n) | NMR Solution Structure of the Wild-type Bulge-containing KRAS-G4 | Descriptor: | DNA (24-mer) | Authors: | Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y. | Deposit date: | 2022-03-14 | Release date: | 2022-09-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine. Nat Commun, 13, 2022
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7LNS
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![BU of 7lns by Molmil](/molmil-images/mine/7lns) | NMR solution structure of PsDef2 defensin from P. sylvestris | Descriptor: | Defensin-2 | Authors: | Nesmelova, I.V, Kovaleva, V, Hrunyk, N.I, Yusypovych, Y.M, Shalovylo, Y.I. | Deposit date: | 2021-02-08 | Release date: | 2022-03-30 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure, dynamics, and function of PsDef2 defensin from Pinus sylvestris. Structure, 30, 2022
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6UZJ
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![BU of 6uzj by Molmil](/molmil-images/mine/6uzj) | NMR structure of the HACS1 SH3 domain | Descriptor: | SAM domain-containing protein SAMSN-1 | Authors: | Donaldson, L.W. | Deposit date: | 2019-11-15 | Release date: | 2019-11-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | HACS1 signaling adaptor protein recognizes a motif in the paired immunoglobulin receptor B cytoplasmic domain. Commun Biol, 3, 2020
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6PTS
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![BU of 6pts by Molmil](/molmil-images/mine/6pts) | NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state A) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ... | Authors: | Fang, Z, Lee, K, Gasmi-Seabrook, G, Ikura, M, Marshall, C.B. | Deposit date: | 2019-07-16 | Release date: | 2020-05-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Multivalent assembly of KRAS with the RAS-binding and cysteine-rich domains of CRAF on the membrane. Proc.Natl.Acad.Sci.USA, 117, 2020
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6PTW
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![BU of 6ptw by Molmil](/molmil-images/mine/6ptw) | NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state B) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ... | Authors: | Fang, Z, Lee, K, Gasmi-Seabrook, G, Ikura, M, Marshall, C.B. | Deposit date: | 2019-07-16 | Release date: | 2020-05-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Multivalent assembly of KRAS with the RAS-binding and cysteine-rich domains of CRAF on the membrane. Proc.Natl.Acad.Sci.USA, 117, 2020
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7VKV
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6O0I
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![BU of 6o0i by Molmil](/molmil-images/mine/6o0i) | NMR ensemble of computationally designed protein XAA | Descriptor: | Design construct XAA | Authors: | Wei, K.Y, Moschidi, D, Nerli, S, Sgourakis, N, Baker, D. | Deposit date: | 2019-02-16 | Release date: | 2020-04-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Computational design of closely related proteins that adopt two well-defined but structurally divergent folds. Proc.Natl.Acad.Sci.USA, 117, 2020
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