9FWX
| Crystal structure of BRD4 BD1 with MEN1404BS. | Descriptor: | 3-methyl-~{N}-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, Bromodomain-containing protein 4 | Authors: | Bader, G, Kessler, D. | Deposit date: | 2024-07-01 | Release date: | 2024-08-07 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Probing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups. J.Med.Chem., 67, 2024
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9FWG
| LSD1/CoREST bound to bomedemstat | Descriptor: | Bomedemstat FAD adduct, Lysine-specific histone demethylase 1A, REST corepressor 1 | Authors: | Speranzini, V, Mattevi, A. | Deposit date: | 2024-06-30 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Characterization of structural, biochemical, pharmacokinetic, and pharmacodynamic properties of the LSD1 inhibitor bomedemstat in preclinical models. Prostate, 84, 2024
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9FWC
| Coxsackievirus B3 3C protease in C121 spacegroup | Descriptor: | Genome polyprotein | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | Deposit date: | 2024-06-28 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Coxsackievirus B3 3C protease in C121 spacegroup To Be Published
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9FW4
| Crystal structure of Heme-Oxygenase mutant H20C from Corynebacterium diphtheriae complexed with Cobalt-porphyrine (HumO-Co(III)) | Descriptor: | PROTOPORPHYRIN IX CONTAINING CO, heme oxygenase (biliverdin-producing) | Authors: | Labidi, R.J, Faivre, B, Carpentier, P, Perard, J, Gotico, P, Li, Y, Atta, M, Fontecave, M. | Deposit date: | 2024-06-28 | Release date: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Light-Activated Artificial CO 2 -Reductase: Structure and Activity. J.Am.Chem.Soc., 2024
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9FW2
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9FVT
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9FVS
| Crystal structure of Heme-Oxygenase mutant G139A from Corynebacterium diphtheriae complexed with Cobalt-porphyrine (HumO-Co(III)) | Descriptor: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING CO, heme oxygenase (biliverdin-producing) | Authors: | Labidi, R.J, Faivre, B, Carpentier, P, Perard, J, Gotico, P, Li, Y, Atta, M, Fontecave, M. | Deposit date: | 2024-06-28 | Release date: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Light-Activated Artificial CO 2 -Reductase: Structure and Activity. J.Am.Chem.Soc., 2024
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9FVO
| The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Endothiapepsin, ... | Authors: | Falke, S, Senst, J.M, Guenther, S, Meents, A. | Deposit date: | 2024-06-27 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin To Be Published
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9FVD
| Cryo-EM structure of single-layered nucleoprotein-RNA helical assembly from Marburg virus, trimeric repeat unit | Descriptor: | Nucleoprotein, RNA (5'-R(P*AP*GP*AP*CP*AP*CP*AP*CP*AP*AP*AP*AP*AP*CP*AP*AP*GP*A)-3') | Authors: | Zinzula, L, Beck, F, Camasta, M, Bohn, S, Liu, C, Morado, D, Bracher, A, Plitzko, J.M, Baumeister, W. | Deposit date: | 2024-06-26 | Release date: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of single-layered nucleoprotein-RNA complex from Marburg virus Nat Commun, 2024
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9FTW
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9FTR
| Drosophila golgi alpha-mannosidase II (dGMII) in complex with amide modified swainsonine-configured alkyl indolizidine | Descriptor: | 1,2-ETHANEDIOL, Alpha-mannosidase 2, ZINC ION, ... | Authors: | Bennett, M, Koemans, T, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2024-06-25 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure-guided design of C3-branched swainsonine as potent and selective human Golgi alpha-mannosidase (GMII) inhibitor. Chem.Commun.(Camb.), 2024
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9FTQ
| Drosophila golgi alpha-mannosidase II (dGMII) in complex with swainsonine-configured alkyl indolizidine | Descriptor: | Alpha-mannosidase 2, DI(HYDROXYETHYL)ETHER, ZINC ION, ... | Authors: | Bennett, M, Koemans, T, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2024-06-25 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structure-guided design of C3-branched swainsonine as potent and selective human Golgi alpha-mannosidase (GMII) inhibitor. Chem.Commun.(Camb.), 2024
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9FTJ
| Closed and disordered conformation of the pentameric ligand-gated ion channel, DeCLIC at pH 5 with 10mM EDTA | Descriptor: | Neurotransmitter-gated ion-channel ligand-binding domain-containing protein | Authors: | Rovsnik, U, Anden, O, Lycksell, M, Delarue, M, Howard, R.J, Lindahl, E. | Deposit date: | 2024-06-24 | Release date: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural characterization of pH-modulated closed and open states
in a pentameric ligand-gated ion channel To Be Published
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9FTI
| Open conformation of the pentameric ligand-gated ion channel, DeCLIC at pH 5 with 10mM EDTA | Descriptor: | Neurotransmitter-gated ion-channel ligand-binding domain-containing protein | Authors: | Rovsnik, U, Anden, O, Lycksell, M, Delarue, M, Howard, R.J, Lindahl, E. | Deposit date: | 2024-06-24 | Release date: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural characterization of pH-modulated closed and open states
in a pentameric ligand-gated ion channel To Be Published
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9FTH
| Open conformation of the pentameric ligand-gated ion channel, DeCLIC at pH 5 with 10mM Ca2+ | Descriptor: | Neurotransmitter-gated ion-channel ligand-binding domain-containing protein | Authors: | Rovsnik, U, Anden, O, Lycksell, M, Delarue, M, Howard, R.J, Lindahl, E. | Deposit date: | 2024-06-24 | Release date: | 2024-09-11 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural characterization of pH-modulated closed and open states
in a pentameric ligand-gated ion channel To Be Published
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9FTG
| Closed conformation of the pentameric ligand-gated ion channel, DeCLIC at pH 5 with 10 mM Ca2+ | Descriptor: | CALCIUM ION, Neurotransmitter-gated ion-channel ligand-binding domain-containing protein | Authors: | Rovsnik, U, Anden, O, Lycksell, M, Delarue, M, Howard, R.J, Lindahl, E. | Deposit date: | 2024-06-24 | Release date: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural characterization of pH-modulated closed and open states
in a pentameric ligand-gated ion channel To Be Published
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9FTC
| Aeromonas caviae CMP-Pse5Ac7Ac synthetase in the presence of CMP-Pse5Ac7Ac. | Descriptor: | (2~{R},4~{S},5~{S},6~{S})-5-acetamido-6-[(1~{S},2~{S})-1-acetamido-2-oxidanyl-propyl]-2-[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxane-2-carboxylic acid, NeuA | Authors: | Cowan, A.R, Hemsworth, G.R, Keenan, T, Fascione, M.A. | Deposit date: | 2024-06-24 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insights into a CMP-pseudaminic acid synthetase (PseF) Structure, 2024
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9FTB
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9FT1
| Yeast 20S proteasome in complex with epoxyketone inhibitor 13 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | Deposit date: | 2024-06-23 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites to be published
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9FT0
| Yeast 20S proteasome in complex with epoxyketone inhibitor 42 | Descriptor: | (2S)-N-[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | Deposit date: | 2024-06-23 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites to be published
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9FSV
| Yeast 20S proteasome with human beta2i (1-53) in complex with epoxyketone inhibitor 42 | Descriptor: | (2S)-N-[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | Deposit date: | 2024-06-22 | Release date: | 2024-07-17 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites to be published
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9FST
| Yeast 20S proteasome with human beta1i (1-51) in complex with epoxyketone inhibitor LU-001i | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | Deposit date: | 2024-06-21 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites To Be Published
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9FSE
| Human ROR2 cysteine-rich domain (CRD) and Kringle domain | Descriptor: | SULFATE ION, Tyrosine-protein kinase transmembrane receptor ROR2 | Authors: | Griffiths, S.C, Tan, J, Wagner, A, Blazer, L.L, Adams, J.J, Srinivasan, S, Moghisaei, S, Sidhu, S.S, Siebold, C, Ho, H.H. | Deposit date: | 2024-06-20 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structure and function of the ROR2 cysteine-rich domain in vertebrate noncanonical WNT5A signaling. Elife, 13, 2024
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9FSB
| Coxsackievirus B3 3C protease in P121 spacegroup | Descriptor: | Genome polyprotein | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | Deposit date: | 2024-06-20 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.592 Å) | Cite: | Coxsackievirus B3 3C protease in P121 spacegroup To Be Published
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9FSA
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