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8TL0
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BU of 8tl0 by Molmil
Structure of activated SAVED-CHAT filament
Descriptor: CHAT domain-containing protein, RNA (5'-R(*AP*AP*A)-3')
Authors:Bravo, J.P.K, Taylor, D.W.
Deposit date:2023-07-26
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Type III-B CRISPR-Cas cascade of proteolytic cleavages.
Science, 383, 2024
6I2H
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BU of 6i2h by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and RKp190
Descriptor: CHLORIDE ION, UPF0418 protein FAM164A, [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2018-11-01
Release date:2019-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and RKp190
To be published
6I2A
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BU of 6i2a by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp153 and Fasudil
Descriptor: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, beta-D-ribopyranose, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2018-11-01
Release date:2019-05-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6B34
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BU of 6b34 by Molmil
NMR ensemble of Tyrocidine A analogue AC3.27
Descriptor: Tyrocidine A analogue D-PHE-BE2-PHE-D-PHE-ASN-GLN-TYR-VAL-ORN-LEU
Authors:Cameron, A.J, Ewdards, P.J.B, Harjes, E, Sarojini, V.
Deposit date:2017-09-20
Release date:2017-12-06
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Tyrocidine A Analogues Bearing the Planar d-Phe-2-Abz Turn Motif: How Conformation Impacts Bioactivity.
J. Med. Chem., 60, 2017
6B35
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BU of 6b35 by Molmil
NMR ensemble of Tyrocidine A analogue AC3.28
Descriptor: Tyrocidine A analogue D-PHE-BE2-PHE-D-PHE-ASN-LYS-TYR-VAL-ORN-LEU
Authors:Cameron, A.J, Ewdards, P.J.B, Harjes, E, Sarojini, V.
Deposit date:2017-09-20
Release date:2017-12-06
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Tyrocidine A Analogues Bearing the Planar d-Phe-2-Abz Turn Motif: How Conformation Impacts Bioactivity.
J. Med. Chem., 60, 2017
6ZU5
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BU of 6zu5 by Molmil
Structure of the Paranosema locustae ribosome in complex with Lso2
Descriptor: 18S rRNA, 25S rRNA, 5S rRNA, ...
Authors:Ehrenbolger, K, Jespersen, N, Sharma, H, Sokolova, Y.Y, Tokarev, Y.S, Vossbrinck, C.R, Barandun, J.
Deposit date:2020-07-21
Release date:2020-11-04
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Differences in structure and hibernation mechanism highlight diversification of the microsporidian ribosome.
Plos Biol., 18, 2020
7BBJ
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BU of 7bbj by Molmil
CD73 in complex with the humanized antagonistic antibody mAb19
Descriptor: 5'-nucleotidase, MAGNESIUM ION, ZINC ION, ...
Authors:Boettcher, J, Han, F.
Deposit date:2020-12-17
Release date:2021-12-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:A Novel Antagonistic CD73 Antibody for Inhibition of the Immunosuppressive Adenosine Pathway.
Mol.Cancer Ther., 20, 2021
6I2D
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BU of 6i2d by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and RKp117
Descriptor: UPF0418 protein FAM164A, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2018-11-01
Release date:2019-05-15
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6I2B
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BU of 6i2b by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp153 and RKp117
Descriptor: UPF0418 protein FAM164A, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, beta-D-ribopyranose, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2018-11-01
Release date:2019-05-15
Last modified:2021-03-17
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6I2C
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BU of 6i2c by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and Fasudil
Descriptor: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, beta-D-ribopyranose, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2018-11-01
Release date:2019-05-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5OT3
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BU of 5ot3 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp191 and RKp117
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-08-19
Release date:2018-09-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5OTG
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BU of 5otg by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and RKp190
Descriptor: [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-08-21
Release date:2018-09-05
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and RKp190
To be published
8DBK
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BU of 8dbk by Molmil
Human PRPS1 with Phosphate, ATP, and R5P; Hexamer with resolved catalytic loops
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 5-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, ...
Authors:Hvorecny, K.L, Kollman, J.M.
Deposit date:2022-06-14
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Human PRPS1 filaments stabilize allosteric sites to regulate activity.
Nat.Struct.Mol.Biol., 30, 2023
5NTJ
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BU of 5ntj by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp032
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, beta-D-ribopyranose, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-04-28
Release date:2018-05-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp032
To Be Published
5OUC
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BU of 5ouc by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp191 and RKp190
Descriptor: CHLORIDE ION, [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid, beta-D-ribopyranose, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-08-23
Release date:2018-09-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp191 and RKp190
To be published
5OUS
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BU of 5ous by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp193
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-08-24
Release date:2018-09-05
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5OL3
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BU of 5ol3 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and RKp117
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-07-26
Release date:2018-08-29
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
4EQ4
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BU of 4eq4 by Molmil
Crystal structure of seleno-methionine derivatized GH3.12
Descriptor: 2-HYDROXYBENZOIC ACID, 4-substituted benzoates-glutamate ligase GH3.12, ADENOSINE MONOPHOSPHATE
Authors:Zubieta, C, Nanao, M, Jez, J, Westfall, C, Kapp, U.
Deposit date:2012-04-18
Release date:2012-06-20
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (2.074 Å)
Cite:Structural basis for prereceptor modulation of plant hormones by GH3 proteins.
Science, 336, 2012
5O5M
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BU of 5o5m by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and RKp117
Descriptor: CHLORIDE ION, RKp120, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-06-02
Release date:2018-06-13
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.583 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5O0E
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BU of 5o0e by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and Fasudil
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, RKp120, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-05-16
Release date:2018-05-30
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
8FZD
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BU of 8fzd by Molmil
Cryo-EM structure of an E. coli non-rotated ribosome termination complex bound with apoRF3, RF1, P- and E-site tRNAPhe (Composite state I-B)
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Rybak, M.Y, Li, L, Lin, J, Gagnon, M.G.
Deposit date:2023-01-28
Release date:2024-07-17
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The ribosome termination complex remodels release factor RF3 and ejects GDP.
Nat.Struct.Mol.Biol., 2024
8IK0
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BU of 8ik0 by Molmil
Cryo-EM structure of Stimulator of interferon genes
Descriptor: Stimulator of interferon genes protein,Immune protein Tsi3
Authors:Lu, D.F, Shang, G.J.
Deposit date:2023-02-28
Release date:2023-05-17
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The mechanism of STING autoinhibition and activation.
Mol.Cell, 83, 2023
5OUA
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BU of 5oua by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp017
Descriptor: beta-D-ribopyranose, cAMP dependent protein kinase inhibitor, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-08-23
Release date:2018-09-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
2MCX
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BU of 2mcx by Molmil
Solid-state NMR structure of piscidin 3 in aligned 1:1 phosphatidylethanolamine/phosphoglycerol lipid bilayers
Descriptor: Piscidin-3
Authors:Fu, R, Tian, Y, Perrin Jr, B.S, Grant, C.V, Wieczorek, W.E, Pastor, R.W, Cotten, M.L.
Deposit date:2013-08-27
Release date:2014-01-22
Last modified:2021-08-18
Method:SOLID-STATE NMR
Cite:High-resolution structures and orientations of antimicrobial peptides piscidin 1 and piscidin 3 in fluid bilayers reveal tilting, kinking, and bilayer immersion.
J.Am.Chem.Soc., 136, 2014
5OK3
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BU of 5ok3 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp241 and Fasudil
Descriptor: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-07-25
Release date:2018-08-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.588 Å)
Cite:Diamondoid Amino Acid-Based Peptide Kinase A Inhibitor Analogues.
Chemmedchem, 14, 2019

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