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7LSO
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BU of 7lso by Molmil
L-Phenylseptin
Descriptor: L-Phenylseptin peptide
Authors:Munhoz, V.H, Verly, R.M.
Deposit date:2021-02-18
Release date:2022-11-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure of L-Phenylseptin in DPC-d38.
To Be Published
4WCI
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BU of 4wci by Molmil
Crystal structure of the 1st SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 378-393) from human RIN3
Descriptor: CD2-associated protein, Ras and Rab interactor 3, SULFATE ION
Authors:Rouka, E, Simister, P.C, Janning, M, Kirsch, K.H, Krojer, T, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC)
Deposit date:2014-09-04
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Differential Recognition Preferences of the Three Src Homology 3 (SH3) Domains from the Adaptor CD2-associated Protein (CD2AP) and Direct Association with Ras and Rab Interactor 3 (RIN3).
J.Biol.Chem., 290, 2015
4WCW
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BU of 4wcw by Molmil
Ribosomal silencing factor during starvation or stationary phase (RsfS) from Mycobacterium tuberculosis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, Ribosomal silencing factor RsfS
Authors:Li, X, Sun, Q, Jiang, C, Yang, K, Hung, L, Zhang, J, Sacchettini, J, TB Structural Genomics Consortium (TBSGC)
Deposit date:2014-09-05
Release date:2014-09-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Ribosomal Silencing Factor Bound to Mycobacterium tuberculosis Ribosome.
Structure, 23, 2015
7LSP
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BU of 7lsp by Molmil
D-Phenylseptin - The second residue of PHE of the peptide is a D-amino acid
Descriptor: D-Phenylseptin
Authors:Munhoz, V.H.O, Verly, R.M.
Deposit date:2021-02-18
Release date:2022-11-30
Method:SOLUTION NMR
Cite:NMR structure of D-Phenylseptin in DPC-d38.
To Be Published
4WD0
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BU of 4wd0 by Molmil
Crystal structure of HisAp form Arthrobacter aurescens
Descriptor: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:MICHALSKA, K, VERDUZCO-CASTRO, E.A, ENDRES, M, BARONA-GOMEZ, F, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-09-05
Release date:2014-09-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of HisAp form Arthrobacter aurescens
To Be Published
3UG1
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BU of 3ug1 by Molmil
Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in the apo form
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor
Authors:Parker, L.J, Handa, N, Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S.
Deposit date:2011-11-02
Release date:2012-03-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor
Oncogene, 32, 2013
7RMQ
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BU of 7rmq by Molmil
Crystal structure of cycloviolacin O2
Descriptor: Cycloviolacin O2, D-[I11L]cycloviolacin O2, FORMIC ACID
Authors:Huang, Y.H, Du, Q.
Deposit date:2021-07-28
Release date:2021-09-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Enabling Efficient Folding and High-Resolution Crystallographic Analysis of Bracelet Cyclotides.
Molecules, 26, 2021
7RS7
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BU of 7rs7 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-30
Descriptor: (1S,2R,4S,5S,6S)-N,5,6-tris(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide, Estrogen receptor
Authors:Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2021-08-11
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RMS
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BU of 7rms by Molmil
Crystal structure of [I11G]cycloviolacin O2
Descriptor: D-[I11L]cycloviolacin O2, THIOCYANATE ION, [I11L]cycloviolacin O2
Authors:Huang, Y.H, Du, Q, Craik, D.J.
Deposit date:2021-07-28
Release date:2021-09-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Enabling Efficient Folding and High-Resolution Crystallographic Analysis of Bracelet Cyclotides.
Molecules, 26, 2021
7M25
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BU of 7m25 by Molmil
Solution NMR Structure of PawL-Derived Peptide PLP-13
Descriptor: PawL-Derived Peptide PLP-13
Authors:Payne, C.D, Rosengren, K.J.
Deposit date:2021-03-16
Release date:2021-03-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural Characterization of the PawL-Derived Peptide Family, an Ancient Subfamily of Orbitides.
J.Nat.Prod., 84, 2021
4WDC
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BU of 4wdc by Molmil
High-resolution crystal structure of water-soluble FraC (mutation F16P)
Descriptor: Fragaceatoxin C
Authors:Caaveiro, J.M.M, Morante, K, Tsumoto, K.
Deposit date:2014-09-08
Release date:2015-03-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:A Pore-Forming Toxin Requires a Specific Residue for Its Activity in Membranes with Particular Physicochemical Properties
J.Biol.Chem., 290, 2015
7LZL
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BU of 7lzl by Molmil
Solution NMR structure of an avian defensin, AvBD3, from mallard
Descriptor: Avian beta-defensin 3
Authors:Rosengren, K.J, Andersson, H.S.
Deposit date:2021-03-10
Release date:2021-08-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Relation between structure and function of three avian beta-defensin 3b variants from mallard (Anas platyrhynchos)
To Be Published
7LL7
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BU of 7ll7 by Molmil
[2]Catenane From MccJ25 Variant G12C G21C
Descriptor: GLY-GLY-ALA-GLY-HIS-VAL-PRO-GLU-TYR-PHE, VAL-CYS-ILE-GLY-THR-PRO-ILE-SER-PHE-TYR-CYS
Authors:Link, A.J, Schroeder, H.V.
Deposit date:2021-02-03
Release date:2021-08-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Dynamic covalent self-assembly of mechanically interlocked molecules solely made from peptides.
Nat.Chem., 13, 2021
7LUW
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BU of 7luw by Molmil
Structural studies about ScnTx neurotoxin using Solution NMR 2D and 3D
Descriptor: Short-chain neurotoxin
Authors:del Rio-Portilla, F, Lopez-Giraldo, A.E.
Deposit date:2021-02-23
Release date:2021-04-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The Three-Dimensional Structure of the Neurotoxin SCNTX
To Be Published
7LCW
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BU of 7lcw by Molmil
Aspartimidylated Lasso Peptide Lihuanodin
Descriptor: Lasso Peptide Lihuanodin
Authors:Link, A.J, Cao, L.
Deposit date:2021-01-11
Release date:2021-07-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Cellulonodin-2 and Lihuanodin: Lasso Peptides with an Aspartimide Post-Translational Modification.
J.Am.Chem.Soc., 143, 2021
7L9D
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BU of 7l9d by Molmil
Connecting hydrophobic surfaces in cyclic peptides increases membrane permeability
Descriptor: Cyclic peptide ALA-PHE-PRO-ILE-PRO-ITZ
Authors:Hoang, H.N.
Deposit date:2021-01-03
Release date:2021-09-08
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Connecting Hydrophobic Surfaces in Cyclic Peptides Increases Membrane Permeability.
Angew.Chem.Int.Ed.Engl., 60, 2021
7RBS
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BU of 7rbs by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with human ISG15
Descriptor: Papain-like protease, Ubiquitin-like protein ISG15, ZINC ION
Authors:Osipiuk, J, Tesar, C, Jedrzejczak, R, Endres, M, Wydorski, P, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-06
Release date:2021-09-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
2G7N
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BU of 2g7n by Molmil
Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to small Molecule Inhibitors
Descriptor: Botulinum neurotoxin type A, SILVER ION, ZINC ION
Authors:Fu, Z, Baldwin, M.R, Boldt, G.E, Janda, K.D, Barbieri, J.T, Kim, J.-J.P.
Deposit date:2006-02-28
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Light Chain of Botulinum Neurotoxin Serotype A bound to Small Molecule Inhibitors
To be Published
7LXC
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BU of 7lxc by Molmil
Structure and Interactions of DED1 of human cFLIP
Descriptor: DED1ch
Authors:Panaitiu, A.E, Basiashvili, T, Mierke, D.F, Pellegrini, M.
Deposit date:2021-03-03
Release date:2021-12-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:An engineered construct of cFLIP provides insight into DED1 structure and interactions.
Structure, 30, 2022
7RII
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BU of 7rii by Molmil
[I11L]hyen D crystal structure
Descriptor: Cyclotide hyen-D, PHOSPHATE ION
Authors:Du, Q, Huang, Y.H, Craik, D.J, Wang, C.K.
Deposit date:2021-07-20
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides
Molecules, 26(18), 2021
2GGA
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BU of 2gga by Molmil
CP4 EPSP synthase liganded with S3P and Glyphosate
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, GLYPHOSATE, SHIKIMATE-3-PHOSPHATE
Authors:Schonbrunn, E, Funke, T.
Deposit date:2006-03-23
Release date:2006-08-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular basis for the herbicide resistance of Roundup Ready crops.
Proc.Natl.Acad.Sci.Usa, 103, 2006
7RFD
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BU of 7rfd by Molmil
E. coli peptidyl-prolyl cis-trans isomerase, mutant Phe4Ala Phe27CF3-Phe/Phe98CF3-Phe
Descriptor: Peptidyl-prolyl cis-trans isomerase
Authors:Frkic, R.L, Otting, G, Jackson, C.J.
Deposit date:2021-07-14
Release date:2021-09-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Through-Space Scalar 19 F- 19 F Couplings between Fluorinated Noncanonical Amino Acids for the Detection of Specific Contacts in Proteins.
J.Am.Chem.Soc., 143, 2021
7RBR
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BU of 7rbr by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with a Lys48-linked di-ubiquitin
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Papain-like protease, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Lanham, B.T, Wydorski, P, Fushman, D, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-06
Release date:2021-09-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
7M2A
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BU of 7m2a by Molmil
Solution NMR Structure of PawL-Derived Peptide PLP-38
Descriptor: PawL-Derived Peptide PLP-38
Authors:Payne, C.D, Rosengren, K.J.
Deposit date:2021-03-16
Release date:2021-03-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural Characterization of the PawL-Derived Peptide Family, an Ancient Subfamily of Orbitides.
J.Nat.Prod., 84, 2021
7L96
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BU of 7l96 by Molmil
Connecting hydrophobic surfaces in cyclic peptides increases membrane permeability
Descriptor: Cyclic peptide LEU-DLE-LEU-LEU-DPR-N9K
Authors:Hoang, H.N.
Deposit date:2021-01-02
Release date:2023-08-09
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Connecting Hydrophobic Surfaces in Cyclic Peptides Increases Membrane Permeability.
Angew.Chem.Int.Ed.Engl., 60, 2021

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