3IP9
 
 | | Structure of Atu2422-GABA receptor in complex with GABA | | Descriptor: | ABC transporter, substrate binding protein (Amino acid), GAMMA-AMINO-BUTANOIC ACID, ... | | Authors: | Morera, S, Planamente, S, Vigouroux, A. | | Deposit date: | 2009-08-17 | | Release date: | 2010-07-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A conserved mechanism of GABA binding and antagonism is revealed by structure-function analysis of the periplasmic binding protein Atu2422 in Agrobacterium tumefaciens.
J.Biol.Chem., 285, 2010
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3IPH
 | | Crystal structure of p38 in complex with a biphenylamide inhibitor | | Descriptor: | 6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide, GLYCEROL, Mitogen-activated protein kinase 14, ... | | Authors: | Somers, D.O. | | Deposit date: | 2009-08-17 | | Release date: | 2009-11-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | p38alpha mitogen-activated protein kinase inhibitors: optimization of a series of biphenylamides to give a molecule suitable for clinical progression.
J.Med.Chem., 52, 2009
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3IPZ
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6F0X
 | | Cryo-EM structure of TRIP13 in complex with ATP gamma S, p31comet, C-Mad2 and Cdc20 | | Descriptor: | Cell division cycle protein 20 homolog, MAD2L1-binding protein, Mitotic spindle assembly checkpoint protein MAD2A, ... | | Authors: | Alfieri, C, Chang, L, Barford, D. | | Deposit date: | 2017-11-20 | | Release date: | 2018-05-02 | | Last modified: | 2020-12-02 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Mechanism for remodelling of the cell cycle checkpoint protein MAD2 by the ATPase TRIP13.
Nature, 559, 2018
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6VDB
 | | SETD2 in complex with a H3-variant super-substrate peptide | | Descriptor: | ALA-PRO-ARG-PHE-GLY-GLY-VAL-MET-ARG-PRO-ASN-ARG, Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Beldar, S, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Jeltsch, A, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-12-24 | | Release date: | 2020-01-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Sequence specificity analysis of the SETD2 protein lysine methyltransferase and discovery of a SETD2 super-substrate.
Commun Biol, 3, 2020
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3IE5
 | | Crystal structure of Hyp-1 protein from Hypericum perforatum (St John's wort) involved in hypericin biosynthesis | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Michalska, K, Fernandes, H, Sikorski, M.M, Jaskolski, M. | | Deposit date: | 2009-07-22 | | Release date: | 2009-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.688 Å) | | Cite: | Crystal structure of Hyp-1, a St. John's wort protein implicated in the biosynthesis of hypericin
J.Struct.Biol., 169, 2010
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6F0H
 | | Crystal structure ASF1-ip4 | | Descriptor: | CITRIC ACID, GLYCEROL, Histone chaperone ASF1A, ... | | Authors: | Bakail, M, Richet, N, Le Du, M.H, Andreani, J, Guerois, R, Ochsenbein, F. | | Deposit date: | 2017-11-20 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Design on a Rational Basis of High-Affinity Peptides Inhibiting the Histone Chaperone ASF1.
Cell Chem Biol, 26, 2019
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3IW7
 | | Human p38 MAP Kinase in Complex with an Imidazo-pyridine | | Descriptor: | 2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3H-imidazo[4,5-c]pyridine, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | | Deposit date: | 2009-09-02 | | Release date: | 2009-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
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1YC0
 | | short form HGFA with first Kunitz domain from HAI-1 | | Descriptor: | Hepatocyte growth factor activator, Kunitz-type protease inhibitor 1, PHOSPHATE ION | | Authors: | Shia, S, Stamos, J, Kirchhofer, D, Fan, B, Wu, J, Corpuz, R.T, Santell, L, Lazarus, R.A, Eigenbrot, C. | | Deposit date: | 2004-12-21 | | Release date: | 2005-02-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Conformational lability in serine protease active sites: structures of hepatocyte growth factor activator (HGFA) alone and with the inhibitory domain from HGFA inhibitor-1B.
J.Mol.Biol., 346, 2005
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3WWQ
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6MSJ
 | | Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome | | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ... | | Authors: | Mao, Y.D. | | Deposit date: | 2018-10-16 | | Release date: | 2018-11-21 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome.
Nature, 565, 2019
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7B7G
 | | BAZ2A bromodomain in complex with compounds MS04 and B11 | | Descriptor: | 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2,3-dimethyl-guanidine, 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole, Bromodomain adjacent to zinc finger domain protein 2A | | Authors: | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | | Deposit date: | 2020-12-10 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.428 Å) | | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
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7B82
 | | BAZ2A bromodomain in complex with triazole compound MS04-TN03 | | Descriptor: | (2~{S})-1-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]phenyl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A | | Authors: | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | | Deposit date: | 2020-12-12 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
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7B7I
 | | BAZ2A bromodomain in complex with triazole compound MS04-TN02 | | Descriptor: | 2-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]ethanamide, Bromodomain adjacent to zinc finger domain protein 2A | | Authors: | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | | Deposit date: | 2020-12-10 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
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7B7B
 | | BAZ2A bromodomain in complex with triazole compound MS04 | | Descriptor: | 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole, Bromodomain adjacent to zinc finger domain protein 2A | | Authors: | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | | Deposit date: | 2020-12-10 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
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6FAP
 | | Crystal structure of human BAZ2A PHD zinc finger in complex with Fr23 | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A. | | Deposit date: | 2017-12-16 | | Release date: | 2018-03-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
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6MSG
 | | Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome | | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ... | | Authors: | Mao, Y.D. | | Deposit date: | 2018-10-16 | | Release date: | 2018-11-21 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome.
Nature, 565, 2019
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3WHL
 | | Crystal structure of Nas2 N-terminal domain complexed with PAN-Rpt5C chimera | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Probable 26S proteasome regulatory subunit p27, Proteasome-activating nucleotidase, ... | | Authors: | Satoh, T, Saeki, Y, Hiromoto, T, Wang, Y.-H, Uekusa, Y, Yagi, H, Yoshihara, H, Yagi-Utsumi, M, Mizushima, T, Tanaka, K, Kato, K. | | Deposit date: | 2013-08-26 | | Release date: | 2014-03-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structural basis for proteasome formation controlled by an assembly chaperone nas2.
Structure, 22, 2014
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6FGV
 | | Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 3 | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide | | Authors: | Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A. | | Deposit date: | 2018-01-11 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
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3W51
 | | Tankyrase in complex with 2-hydroxy-4-methylquinoline | | Descriptor: | 4-methylquinolin-2-ol, SULFATE ION, Tankyrase-2, ... | | Authors: | Jansson, A.E, Larsson, E.A, Nordlund, P.L. | | Deposit date: | 2013-01-18 | | Release date: | 2013-07-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
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3K3J
 | | P38alpha bound to novel DFG-out compound PF-00416121 | | Descriptor: | 2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | | Authors: | Kazmirski, S.L, DiNitto, J.P. | | Deposit date: | 2009-10-02 | | Release date: | 2009-11-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.995 Å) | | Cite: | The Design, Synthesis and Potential Utility of Fluorescence Probes that Target DFG-out Conformation of p38alpha for High Throughput Screening Binding Assay.
Chem.Biol.Drug Des., 74, 2009
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1YX4
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6FGF
 | | Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 2 | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[3-[(4-fluorophenyl)carbonylamino]propyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide | | Authors: | Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A. | | Deposit date: | 2018-01-10 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
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6W2S
 | | Structure of the Cricket Paralysis Virus 5-UTR IRES (CrPV 5-UTR-IRES) bound to the small ribosomal subunit in the open state (Class 1) | | Descriptor: | 18S rRNA, CrPV 5'-UTR IRES, Eukaryotic translation initiation factor 3 subunit A, ... | | Authors: | Neupane, R, Pisareva, V, Rodriguez, C.F, Pisarev, A, Fernandez, I.S. | | Deposit date: | 2020-03-08 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | A complex IRES at the 5'-UTR of a viral mRNA assembles a functional 48S complex via an uAUG intermediate.
Elife, 9, 2020
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1XOK
 | | crystal structure of alfalfa mosaic virus RNA 3'UTR in complex with coat protein N terminal peptide | | Descriptor: | BROMIDE ION, Coat protein, alfalfa mosaic virus RNA 3' UTR | | Authors: | Guogas, L.M, Filman, D.J, Hogle, J.M, Gehrke, L. | | Deposit date: | 2004-10-06 | | Release date: | 2005-01-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Cofolding organizes alfalfa mosaic virus RNA and coat protein for replication.
Science, 306, 2004
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