6Y05
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![BU of 6y05 by Molmil](/molmil-images/mine/6y05) | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with adenine and PKI (5-24) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ADENINE, ... | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | Deposit date: | 2020-02-06 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
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7W5A
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![BU of 7w5a by Molmil](/molmil-images/mine/7w5a) | The cryo-EM structure of human pre-C*-II complex | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ... | Authors: | Zhan, X, Lu, Y, Shi, Y. | Deposit date: | 2021-11-29 | Release date: | 2022-06-22 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Mechanism of exon ligation by human spliceosome. Mol.Cell, 82, 2022
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7W59
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![BU of 7w59 by Molmil](/molmil-images/mine/7w59) | The cryo-EM structure of human pre-C*-I complex | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ... | Authors: | Zhan, X, Lu, Y, Shi, Y. | Deposit date: | 2021-11-29 | Release date: | 2022-06-22 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Mechanism of exon ligation by human spliceosome. Mol.Cell, 82, 2022
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6Y2U
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![BU of 6y2u by Molmil](/molmil-images/mine/6y2u) | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with aminofasudil and PKI (5-24) | Descriptor: | 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G. | Deposit date: | 2020-02-17 | Release date: | 2021-03-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
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6Y89
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![BU of 6y89 by Molmil](/molmil-images/mine/6y89) | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with Methyl 5-isoquinolinecarboxylate and PKI (5-24) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, METHANOL, ... | Authors: | Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G. | Deposit date: | 2020-03-04 | Release date: | 2021-03-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
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6YOU
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![BU of 6you by Molmil](/molmil-images/mine/6you) | |
6YPP
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![BU of 6ypp by Molmil](/molmil-images/mine/6ypp) | |
6YOT
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![BU of 6yot by Molmil](/molmil-images/mine/6yot) | |
7W89
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![BU of 7w89 by Molmil](/molmil-images/mine/7w89) | The structure of Deinococcus radiodurans Yqgf | Descriptor: | Putative pre-16S rRNA nuclease | Authors: | Cheng, K. | Deposit date: | 2021-12-07 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.500061 Å) | Cite: | Biochemical and Structural Study of RuvC and YqgF from Deinococcus radiodurans. Mbio, 13, 2022
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6Z08
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![BU of 6z08 by Molmil](/molmil-images/mine/6z08) | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-Nitrophenol | Descriptor: | P-NITROPHENOL, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | Deposit date: | 2020-05-08 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
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1FMO
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![BU of 1fmo by Molmil](/molmil-images/mine/1fmo) | CRYSTAL STRUCTURE OF A POLYHISTIDINE-TAGGED RECOMBINANT CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH THE PEPTIDE INHIBITOR PKI(5-24) AND ADENOSINE | Descriptor: | ADENOSINE, CAMP-DEPENDENT PROTEIN KINASE, HEAT STABLE RABBIT SKELETAL MUSCLE INHIBITOR PROTEIN | Authors: | Narayana, N, Cox, S, Shaltiel, S, Taylor, S.S, Xuong, N.-H. | Deposit date: | 1997-07-08 | Release date: | 1998-01-14 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a polyhistidine-tagged recombinant catalytic subunit of cAMP-dependent protein kinase complexed with the peptide inhibitor PKI(5-24) and adenosine. Biochemistry, 36, 1997
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6Y8Z
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![BU of 6y8z by Molmil](/molmil-images/mine/6y8z) | Structure of Baltic Herring (Clupea Harengus) Phosphoglucomutase 5 (PGM5) | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | Authors: | Gustafsson, R, Eckhard, U, Selmer, M. | Deposit date: | 2020-03-06 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure and Characterization of Phosphoglucomutase 5 from Atlantic and Baltic Herring-An Inactive Enzyme with Intact Substrate Binding. Biomolecules, 10, 2020
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6Z44
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![BU of 6z44 by Molmil](/molmil-images/mine/6z44) | Crystal structure of the cAMP-dependent protein kinase A in complex with phenol | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, PHENOL, ... | Authors: | Oebbeke, M, Heine, A, Klebe, G. | Deposit date: | 2020-05-22 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
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7UXH
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![BU of 7uxh by Molmil](/molmil-images/mine/7uxh) | cryo-EM structure of the mTORC1-TFEB-Rag-Ragulator complex | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Cui, Z, Hurley, J. | Deposit date: | 2022-05-05 | Release date: | 2022-11-30 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of the lysosomal mTORC1-TFEB-Rag-Ragulator megacomplex. Nature, 614, 2023
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7UX2
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![BU of 7ux2 by Molmil](/molmil-images/mine/7ux2) | |
7UXC
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![BU of 7uxc by Molmil](/molmil-images/mine/7uxc) | |
7UJX
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![BU of 7ujx by Molmil](/molmil-images/mine/7ujx) | Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 2.4 Angstrom data | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Wych, D.C, Aoto, P.C, Wall, M.E. | Deposit date: | 2022-03-31 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular-dynamics simulation methods for macromolecular crystallography. Acta Crystallogr D Struct Biol, 79, 2023
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7V0G
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![BU of 7v0g by Molmil](/molmil-images/mine/7v0g) | Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 1.63 Angstrom data | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Wych, D.C, Aoto, P.C, Wall, M.E. | Deposit date: | 2022-05-10 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Molecular-dynamics simulation methods for macromolecular crystallography. Acta Crystallogr D Struct Biol, 79, 2023
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7XL6
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![BU of 7xl6 by Molmil](/molmil-images/mine/7xl6) | |
7Y1G
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![BU of 7y1g by Molmil](/molmil-images/mine/7y1g) | Crystal structure of human PRKACA complexed with DS01080522 | Descriptor: | 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide, ZINC ION, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Suzuki, M, Ubukata, O, Toyoda, A. | Deposit date: | 2022-06-08 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel protein kinase cAMP-Activated Catalytic Subunit Alpha (PRKACA) inhibitor shows anti-tumor activity in a fibrolamellar hepatocellular carcinoma model. Biochem.Biophys.Res.Commun., 621, 2022
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7Y5T
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![BU of 7y5t by Molmil](/molmil-images/mine/7y5t) | CryoEM structure of PS1-containing gamma-secretase in complex with MRK-560 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y. | Deposit date: | 2022-06-17 | Release date: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560. Nat Commun, 13, 2022
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1DEB
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![BU of 1deb by Molmil](/molmil-images/mine/1deb) | |
1DFL
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![BU of 1dfl by Molmil](/molmil-images/mine/1dfl) | SCALLOP MYOSIN S1 COMPLEXED WITH MGADP:VANADATE-TRANSITION STATE | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Houdusse, A, Szent-Gyorgyi, A.G, Cohen, C. | Deposit date: | 1999-11-19 | Release date: | 2000-10-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Three conformational states of scallop myosin S1. Proc.Natl.Acad.Sci.USA, 97, 2000
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1DFK
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![BU of 1dfk by Molmil](/molmil-images/mine/1dfk) | |
5OZ6
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![BU of 5oz6 by Molmil](/molmil-images/mine/5oz6) | |