5FE4
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![BU of 5fe4 by Molmil](/molmil-images/mine/5fe4) | Crystal structure of human PCAF bromodomain in complex with fragment MB364 (fragment 5) | Descriptor: | 1,2-ETHANEDIOL, 2,3-dihydro-1,4-benzodioxine-5-carboxamide, Histone acetyltransferase KAT2B | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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6AZF
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![BU of 6azf by Molmil](/molmil-images/mine/6azf) | |
7A4Q
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![BU of 7a4q by Molmil](/molmil-images/mine/7a4q) | The Crystal structure of RO4613269 bound to CK2alpha | Descriptor: | 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one, Casein kinase II subunit alpha | Authors: | Brear, P, Hyvonen, M. | Deposit date: | 2020-08-20 | Release date: | 2022-06-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors. Nat.Chem.Biol., 2023
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3CJ3
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![BU of 3cj3 by Molmil](/molmil-images/mine/3cj3) | |
6AXI
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![BU of 6axi by Molmil](/molmil-images/mine/6axi) | PawL-Derived Peptide PLP-2 | Descriptor: | ASP-LEU-PHE-VAL-PRO-PRO-ILE-ASP | Authors: | Fisher, M, Mylne, J.S, Howard, M.J. | Deposit date: | 2017-09-06 | Release date: | 2018-03-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A family of small, cyclic peptides buried in preproalbumin since the Eocene epoch. Plant Direct, 2, 2018
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3CJ2
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![BU of 3cj2 by Molmil](/molmil-images/mine/3cj2) | |
2B53
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![BU of 2b53 by Molmil](/molmil-images/mine/2b53) | |
7R53
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![BU of 7r53 by Molmil](/molmil-images/mine/7r53) | Crystal structure of human TLR8 in complex with Compound 15 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine, Toll-like receptor 8, ... | Authors: | Faller, M, Zink, F. | Deposit date: | 2022-02-10 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.121 Å) | Cite: | Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist. Acs Med.Chem.Lett., 13, 2022
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7R52
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![BU of 7r52 by Molmil](/molmil-images/mine/7r52) | Crystal structure of human TLR8 in complex with Compound 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methoxy-6-pyridin-4-yl-1~{H}-indole, Toll-like receptor 8, ... | Authors: | Faller, M, Zink, F. | Deposit date: | 2022-02-10 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.943 Å) | Cite: | Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist. Acs Med.Chem.Lett., 13, 2022
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3CJ4
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8C3U
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![BU of 8c3u by Molmil](/molmil-images/mine/8c3u) | Crystal Structure of human IL-1beta in complex with a low molecular weight antagonist | Descriptor: | (S)-4'-hydroxy-3'-(6-methyl-2-oxo-3-(1H-pyrazol-4-yl)indolin-3-yl)-[1,1'-biphenyl]-2,4-dicarboxylic acid, Interleukin-1 beta | Authors: | Rondeau, J.-M, Lehmann, S, Koch, E. | Deposit date: | 2022-12-28 | Release date: | 2023-09-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.945 Å) | Cite: | Discovery of a selective and biologically active low-molecular weight antagonist of human interleukin-1 beta. Nat Commun, 14, 2023
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6AWM
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![BU of 6awm by Molmil](/molmil-images/mine/6awm) | PawL-Derived Peptide PLP-4 | Descriptor: | GLY-LEU-LEU-GLY-ILE-THR-ASP | Authors: | Fisher, M, Mylne, J.S, Howard, M.J. | Deposit date: | 2017-09-05 | Release date: | 2018-03-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A family of small, cyclic peptides buried in preproalbumin since the Eocene epoch. Plant Direct, 2, 2018
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5FUE
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5FDZ
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![BU of 5fdz by Molmil](/molmil-images/mine/5fdz) | Crystal structure of human PCAF bromodomain in complex with compound BDOMB00091a (compound 14) | Descriptor: | 1,2-ETHANEDIOL, Histone acetyltransferase KAT2B, ~{N}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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5FE3
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![BU of 5fe3 by Molmil](/molmil-images/mine/5fe3) | Crystal structure of human PCAF bromodomain in complex with fragment MB360 (fragment 4) | Descriptor: | 1,2-ETHANEDIOL, 4-methoxy-1,2-benzoxazol-3-amine, Histone acetyltransferase KAT2B | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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5V53
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6AWK
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6AZG
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5FE0
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![BU of 5fe0 by Molmil](/molmil-images/mine/5fe0) | Crystal structure of human PCAF bromodomain in complex with acetyllysine | Descriptor: | Histone acetyltransferase KAT2B, N(6)-ACETYLLYSINE | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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5FE7
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![BU of 5fe7 by Molmil](/molmil-images/mine/5fe7) | Crystal structure of human PCAF bromodomain in complex with fragment ZB2216 (fragment 11) | Descriptor: | 1,2-ETHANEDIOL, 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5~{H}-indazol-4-one, DIMETHYL SULFOXIDE, ... | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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5FE6
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![BU of 5fe6 by Molmil](/molmil-images/mine/5fe6) | Crystal structure of human PCAF bromodomain in complex with fragment ZB1916 (fragment 10) | Descriptor: | (4-azanylpiperidin-1-yl)-cyclopropyl-methanone, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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4DXD
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![BU of 4dxd by Molmil](/molmil-images/mine/4dxd) | Staphylococcal Aureus FtsZ in complex with 723 | Descriptor: | 3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | Authors: | Lu, J, Soisson, S.M. | Deposit date: | 2012-02-27 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Restoring methicillin-resistant Staphylococcus aureus susceptibility to beta-lactam antibiotics. Sci Transl Med, 4, 2012
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1K5D
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![BU of 1k5d by Molmil](/molmil-images/mine/1k5d) | Crystal structure of Ran-GPPNHP-RanBP1-RanGAP complex | Descriptor: | GTP-binding nuclear protein RAN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Seewald, M.J, Koerner, C, Wittinghofer, A, Vetter, I.R. | Deposit date: | 2001-10-10 | Release date: | 2002-02-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | RanGAP mediates GTP hydrolysis without an arginine finger. Nature, 415, 2002
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2LIF
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![BU of 2lif by Molmil](/molmil-images/mine/2lif) | Solution Structure of KKGF | Descriptor: | Core protein p21 | Authors: | Montserret, R, Penin, F. | Deposit date: | 2011-08-29 | Release date: | 2012-07-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural analysis of hepatitis C virus core-e1 signal Peptide and requirements for cleavage of the genotype 3a signal sequence by signal Peptide peptidase. J.Virol., 86, 2012
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4ZED
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![BU of 4zed by Molmil](/molmil-images/mine/4zed) | |