9E18
 
 | | Structure of RyR1 in the primed state in the presence of pentoxifylline | | Descriptor: | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | Authors: | Miotto, M.C, Marks, A.R. | | Deposit date: | 2024-10-21 | | Release date: | 2024-10-30 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Targeting ryanodine receptors with allopurinol and xanthine derivatives for the treatment of cardiac and musculoskeletal weakness disorders.
Proc.Natl.Acad.Sci.USA, 122, 2025
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7VQG
 | | The X-ray structure of human neuroglobin A15C mutant | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Neuroglobin, ... | | Authors: | Lin, Y.W. | | Deposit date: | 2021-10-19 | | Release date: | 2022-10-26 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The X-ray structure of human neuroglobin A15C mutant
To Be Published
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4TW7
 | | The Fk1 domain of FKBP51 in complex with iFit4 | | Descriptor: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-06-30 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
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9E19
 | | Structure of RyR1 in the open state in the presence of pentoxifylline | | Descriptor: | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | Authors: | Miotto, M.C, Marks, A.R. | | Deposit date: | 2024-10-21 | | Release date: | 2024-10-30 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (4.04 Å) | | Cite: | Targeting ryanodine receptors with allopurinol and xanthine derivatives for the treatment of cardiac and musculoskeletal weakness disorders.
Proc.Natl.Acad.Sci.USA, 122, 2025
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9EPR
 | | Cryo-EM Structure of Jumping Spider Rhodopsin-1 bound to a Gi heterotrimer | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Tejero, O, Pamula, F, Koyanagi, M, Nagata, T, Afanasyev, P, Das, I, Deupi, X, Sheves, M, Terakita, A, Schertler, G.F.X, Rodrigues, M.J, Tsai, C.-J. | | Deposit date: | 2024-03-19 | | Release date: | 2024-10-30 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Active state structures of a bistable visual opsin bound to G proteins.
Nat Commun, 15, 2024
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4GQP
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7T1X
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7MZ0
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4A4Z
 | | CRYSTAL STRUCTURE OF THE S. CEREVISIAE DEXH HELICASE SKI2 BOUND TO AMPPNP | | Descriptor: | 1,2-ETHANEDIOL, ANTIVIRAL HELICASE SKI2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Halbach, F, Rode, M, Conti, E. | | Deposit date: | 2011-10-20 | | Release date: | 2011-12-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Crystal Structure of S. Cerevisiae Ski2, a Dexh Helicase Associated with the Cytoplasmic Functions of the Exosome.
RNA, 18, 2012
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5NAT
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1L47
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5HVI
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1L62
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5NB6
 | | Complement factor D in complex with the inhibitor (2S,4S)-4-Amino-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide] | | Descriptor: | (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D | | Authors: | Mac Sweeney, A, Ostermann, N. | | Deposit date: | 2017-03-01 | | Release date: | 2017-06-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
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9D3G
 | | Cryo-EM structure of CCR6 bound by SQA1 and OXM1 | | Descriptor: | 1-(4-chlorophenyl)-N-{[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl}cyclopropane-1-carboxamide, 4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide, CCR6, ... | | Authors: | Wasilko, D.J, Wu, H. | | Deposit date: | 2024-08-10 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Structural basis for CCR6 modulation by allosteric antagonists.
Nat Commun, 15, 2024
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5VW6
 | | NADP+ soak of Y316A mutant of corn root ferredoxin:NADP+ reductase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, MAGNESIUM ION, ... | | Authors: | Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A. | | Deposit date: | 2017-05-21 | | Release date: | 2017-08-23 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily.
FEBS J., 284, 2017
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3GT2
 | | Crystal Structure of the P60 Domain from M. avium paratuberculosis Antigen MAP1272c | | Descriptor: | 1,2-ETHANEDIOL, Putative uncharacterized protein, SULFATE ION | | Authors: | Ramyar, K.X, Lingle, C.K, McWhorter, W.J, Bouyain, S, Bannantine, J.P, Geisbrecht, B.V. | | Deposit date: | 2009-03-27 | | Release date: | 2010-04-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structures of Two P60-Family Antigens from Mycobacterium Avium Paratuberculosis
To be Published
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3NC9
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4YRH
 | | p21 isoform of MEC-17 from Danio Rerio | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, Alpha-tubulin N-acetyltransferase 1 | | Authors: | Xue, T. | | Deposit date: | 2015-03-15 | | Release date: | 2015-07-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.861 Å) | | Cite: | Structure of DrMEC-17 residue 2-185 at 2.85 Angstroms resolution
To Be Published
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9MMQ
 | | Cryo-EM structure of CRAF/MEK1 complex (kinase domain) | | Descriptor: | 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Jang, D.M, Jeon, H, Eck, M.J. | | Deposit date: | 2024-12-20 | | Release date: | 2025-09-10 | | Last modified: | 2025-10-08 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of CRAF/MEK1/14-3-3 complexes in autoinhibited and open-monomer states reveal features of RAF regulation.
Nat Commun, 16, 2025
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9MMS
 | | Cryo-EM structure of CRAF/MEK1 complex (kinase domain, CRAF Y340D/Y341D mutant) | | Descriptor: | 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Jang, D.M, Jeon, H, Eck, M.J. | | Deposit date: | 2024-12-20 | | Release date: | 2025-09-10 | | Last modified: | 2025-10-08 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures of CRAF/MEK1/14-3-3 complexes in autoinhibited and open-monomer states reveal features of RAF regulation.
Nat Commun, 16, 2025
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5HUE
 | | DAHP synthase from Corynebacterium glutamicum in complex with tryptophan | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-Deoxy-D-arabino-heptulosonate 7-phosphate (DAHP) synthase, ... | | Authors: | Burschowsky, D, Heim, J.B, Thorbjoernsrud, H.V, Krengel, U. | | Deposit date: | 2016-01-27 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Inter-Enzyme Allosteric Regulation of Chorismate Mutase in Corynebacterium glutamicum: Structural Basis of Feedback Activation by Trp.
Biochemistry, 57, 2018
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5NFT
 | | Glucocorticoid Receptor in complex with AZD5423 | | Descriptor: | 1,2-ETHANEDIOL, 2,2,2-tris(fluoranyl)-~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide, Glucocorticoid receptor, ... | | Authors: | Edman, K, Wissler, L. | | Deposit date: | 2017-03-15 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Selective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases.
J. Med. Chem., 60, 2017
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7U34
 | | The structure of phosphoglucose isomerase from Aspergillus fumigatus | | Descriptor: | CHLORIDE ION, CITRATE ANION, GLYCEROL, ... | | Authors: | Yan, K, Kowalski, B, Fang, W, van Aalten, D. | | Deposit date: | 2022-02-25 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis.
Mbio, 13, 2022
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6SB8
 | | Crystal Structure of BRD4(1) bound to inhibitor BUX14 (7) | | Descriptor: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | | Authors: | Huegle, M. | | Deposit date: | 2019-07-19 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
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