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8COO
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BU of 8coo by Molmil
Solution structure of Zipcode binding protein 1 (ZBP1) KH3(DD)KH4 domains in complex with N6-Methyladenosine containing RNA
Descriptor: Insulin-like growth factor 2 mRNA-binding protein 1, RNA_(5'-R(*(UP*CP*GP*GP*(6MZ)P*CP*U)-3')
Authors:Nicastro, G, Abis, G, Taylor, I.A, Ramos, A.
Deposit date:2023-02-28
Release date:2024-02-07
Method:SOLUTION NMR
Cite:Direct m6A recognition by IMP1 underlays an alternative model of target selection for non-canonical methyl-readers.
Nucleic Acids Res., 51, 2023
5ZW2
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BU of 5zw2 by Molmil
FAD complex of PigA
Descriptor: 1,2-ETHANEDIOL, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, ACETATE ION, ...
Authors:Lee, C.-C, Ko, T.-P, Wang, A.H.J.
Deposit date:2018-05-14
Release date:2018-09-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Crystal Structure of PigA: A Prolyl Thioester-Oxidizing Enzyme in Prodigiosin Biosynthesis.
Chembiochem, 20, 2019
7UOF
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BU of 7uof by Molmil
Dihydroorotase from M. jannaschii
Descriptor: Dihydroorotase, ZINC ION
Authors:Vitali, J, Nix, J.C, Newman, H.E, Colaneri, M.J.
Deposit date:2022-04-12
Release date:2022-08-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Methanococcus jannaschii dihydroorotase.
Proteins, 91, 2023
7UOQ
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BU of 7uoq by Molmil
CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH (2S)-2-(TERT-BUTOXY)-2-(5-{2-[(2-CHLORO-6-M ETHYLPHENYL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL}-4- (4,4-DIMETHYLPIPERIDIN-1-YL)-2-METHYLPYRIDIN-3-YL)ACETIC ACID
Descriptor: (2S)-tert-butoxy[(5M)-5-{2-[(2-chloro-6-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid, Integrase, SULFATE ION
Authors:Lewis, H.A, Muckelbauer, J.K.
Deposit date:2022-04-13
Release date:2022-07-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8867 Å)
Cite:Discovery and Preclinical Profiling of GSK3839919, a Potent HIV-1 Allosteric Integrase Inhibitor.
Acs Med.Chem.Lett., 13, 2022
7UP6
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BU of 7up6 by Molmil
Crystal structure of C-terminal domain of MSK1 in complex with in covalently bound literature RSK2 inhibitor pyrrolopyrimidine cyanoacrylamide compound 25 (co-crystal)
Descriptor: (E)-3-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)-2-cyanoacrylamide bound form, OXAMIC ACID, Ribosomal protein S6 kinase alpha-5
Authors:Yano, J.K, Abendroth, J, Hall, A.
Deposit date:2022-04-14
Release date:2022-08-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
7UP5
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BU of 7up5 by Molmil
Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 23 (co-crystal)
Descriptor: (2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile, IODIDE ION, Ribosomal protein S6 kinase alpha-5
Authors:Yano, J.K, Edwards, T.E, Hall, A.
Deposit date:2022-04-14
Release date:2022-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
7UBF
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BU of 7ubf by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBD
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BU of 7ubd by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (A-CC conformation)
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBI
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BU of 7ubi by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TT conformation, 47%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UZL
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BU of 7uzl by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (B-TC conformation)
Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-09
Release date:2022-09-14
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
6AFZ
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BU of 6afz by Molmil
Proton pyrophosphatase-E225H mutant
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Tsai, J.-Y, Li, K.-M, Sun, Y.-J.
Deposit date:2018-08-08
Release date:2019-04-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.483 Å)
Cite:Roles of the Hydrophobic Gate and Exit Channel in Vigna radiata Pyrophosphatase Ion Translocation.
J. Mol. Biol., 431, 2019
7UBC
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BU of 7ubc by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in d6-DMSO with cis/trans switching
Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:Ramelot, T.A, Tejero, R, Monteltione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBE
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BU of 7ube by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in d6-DMSO with cis/trans switching
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBG
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BU of 7ubg by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (A-TT conformation)
Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
5ZT0
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BU of 5zt0 by Molmil
Crystal Structure of Protein Phosphate 1 Complexed with PP1 binding domain of GL
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, Protein phosphatase 1 regulatory subunit 3B, ...
Authors:Yu, J, Xiang, S.
Deposit date:2018-05-01
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3204267 Å)
Cite:Structural basis for protein phosphatase 1 recruitment by glycogen-targeting subunits
FEBS J., 285, 2018
7UBH
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BU of 7ubh by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in CDCl3 with cis/trans switching
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8DSZ
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BU of 8dsz by Molmil
PPARg bound to partial agonist H3B-487
Descriptor: (2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Larsen, N.A.
Deposit date:2022-07-24
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
6AD8
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BU of 6ad8 by Molmil
Crystal structure of the E148D mutant CLC-ec1 in 50 mM bromide
Descriptor: BROMIDE ION, H(+)/Cl(-) exchange transporter ClcA, antibody Fab fragment heavy chain, ...
Authors:Lim, H.-H, Park, K.
Deposit date:2018-07-31
Release date:2019-08-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Mutation of external glutamate residue reveals a new intermediate transport state and anion binding site in a CLC Cl-/H+antiporter.
Proc.Natl.Acad.Sci.USA, 116, 2019
8PXJ
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BU of 8pxj by Molmil
Structure of Whitewater Arroyo virus GP1 glycoprotein, solved at wavelength 2.75 A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Glycoprotein G1, ...
Authors:El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Bowden, T.A, Wagner, A.
Deposit date:2023-07-23
Release date:2023-10-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
6ABI
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BU of 6abi by Molmil
The apo-structure of D-lactate dehydrogenase from Fusobacterium nucleatum
Descriptor: D-lactate dehydrogenase, GLYCEROL, SULFATE ION
Authors:Furukawa, N, Miyanaga, A, Nakajima, M, Taguchi, H.
Deposit date:2018-07-21
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis of Sequential Allosteric Transitions in Tetrameric d-Lactate Dehydrogenases from Three Gram-Negative Bacteria
Biochemistry, 57, 2018
8PD8
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BU of 8pd8 by Molmil
cAMP-bound SpSLC9C1 in lipid nanodiscs, dimer
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Sperm-specific sodium proton exchanger
Authors:Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C.
Deposit date:2023-06-12
Release date:2023-11-08
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
8PD3
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BU of 8pd3 by Molmil
Ligand-free SpSLC9C1 in lipid nanodiscs, protomer state 2
Descriptor: Sperm-specific sodium proton exchanger
Authors:Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C.
Deposit date:2023-06-11
Release date:2023-11-08
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
5ZW7
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BU of 5zw7 by Molmil
FAD-PigA complex at 1.3 A
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Lee, C.-C, Ko, T.-P, Wang, A.H.J.
Deposit date:2018-05-14
Release date:2018-09-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of PigA: A Prolyl Thioester-Oxidizing Enzyme in Prodigiosin Biosynthesis.
Chembiochem, 20, 2019
8DSY
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BU of 8dsy by Molmil
PPARg bound to inverse agonist H3B-343
Descriptor: Peroxisome proliferator-activated receptor gamma, {5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid
Authors:Larsen, N.A.
Deposit date:2022-07-24
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
8PD7
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BU of 8pd7 by Molmil
Ligand-free SpSLC9C1 in lipid nanodiscs, protomer state 4
Descriptor: Sperm-specific sodium proton exchanger
Authors:Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C.
Deposit date:2023-06-11
Release date:2023-11-08
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023

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