9FX6
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![BU of 9fx6 by Molmil](/molmil-images/mine/9fx6) | Crystal structure of Cryo2RT SARS-CoV-2 main protease at 100K | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Huang, C.Y, Aumonier, S, Mac Sweeney, A, Olieric, V, Wang, M. | Deposit date: | 2024-07-01 | Release date: | 2024-07-31 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.227 Å) | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals. Acta Crystallogr D Struct Biol, 80, 2024
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9FX5
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![BU of 9fx5 by Molmil](/molmil-images/mine/9fx5) | Crystal structure of Cryo2RT Thaumatin at 296K | Descriptor: | L(+)-TARTARIC ACID, Thaumatin I | Authors: | Huang, C.Y, Aumonier, S, Olieric, V, Wang, M. | Deposit date: | 2024-07-01 | Release date: | 2024-07-31 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.592 Å) | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals. Acta Crystallogr D Struct Biol, 80, 2024
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9FX4
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![BU of 9fx4 by Molmil](/molmil-images/mine/9fx4) | Crystal structure of Cryo2RT Thaumatin at 100K | Descriptor: | L(+)-TARTARIC ACID, Thaumatin I | Authors: | Huang, C.Y, Aumonier, S, Olieric, V, Wang, M. | Deposit date: | 2024-07-01 | Release date: | 2024-07-31 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals. Acta Crystallogr D Struct Biol, 80, 2024
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9FWX
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![BU of 9fwx by Molmil](/molmil-images/mine/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 | 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., 2024
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9FWG
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![BU of 9fwg by Molmil](/molmil-images/mine/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
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![BU of 9fwc by Molmil](/molmil-images/mine/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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9FW2
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![BU of 9fw2 by Molmil](/molmil-images/mine/9fw2) | |
9FVT
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![BU of 9fvt by Molmil](/molmil-images/mine/9fvt) | |
9FVO
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![BU of 9fvo by Molmil](/molmil-images/mine/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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9FTW
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9FT1
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![BU of 9ft1 by Molmil](/molmil-images/mine/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
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![BU of 9ft0 by Molmil](/molmil-images/mine/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
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![BU of 9fsv by Molmil](/molmil-images/mine/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 | 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
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![BU of 9fst by Molmil](/molmil-images/mine/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
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![BU of 9fse by Molmil](/molmil-images/mine/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
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![BU of 9fsb by Molmil](/molmil-images/mine/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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9FS7
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![BU of 9fs7 by Molmil](/molmil-images/mine/9fs7) | Coxsackievirus A16 3C protease in C2 2 21 spacegroup | Descriptor: | Genome polyprotein | Authors: | Fairhead, M, Lithgo, R, MacLean, 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: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Coxsackievirus A16 3C protease in C2 2 21 spacegroup To Be Published
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9FQJ
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![BU of 9fqj by Molmil](/molmil-images/mine/9fqj) | E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12) | Descriptor: | 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2024-06-17 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.563 Å) | Cite: | Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design To be published
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9FQI
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![BU of 9fqi by Molmil](/molmil-images/mine/9fqi) | E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7) | Descriptor: | 8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2024-06-17 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.954 Å) | Cite: | Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design To be published
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9FQH
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![BU of 9fqh by Molmil](/molmil-images/mine/9fqh) | E3 ligase Cbl-b in complex with a triazolone core inhibitor (compound 1) | Descriptor: | 8-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2024-06-17 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.786 Å) | Cite: | Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design To be published
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9FQ2
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![BU of 9fq2 by Molmil](/molmil-images/mine/9fq2) | Poliovirus 3C protease in H32 spacegroup | Descriptor: | Protease 3C | 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: | 2024-06-14 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Poliovirus 3C protease in H32 spacegroup To Be Published
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9FQ0
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![BU of 9fq0 by Molmil](/molmil-images/mine/9fq0) | Human NatA-NAC-MAP1 80S ribosome complex | Descriptor: | 28S rRNA, 5.8S rRNA, 60S ribosomal protein L19, ... | Authors: | Klein, M.A, Wild, K, Sinning, I. | Deposit date: | 2024-06-14 | Release date: | 2024-07-03 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (4.67 Å) | Cite: | Multi-protein assemblies orchestrate enzymatic processing of the nascent chain on the 80S ribosome To Be Published
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9FPZ
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![BU of 9fpz by Molmil](/molmil-images/mine/9fpz) | Human NatA-MAP2 80S ribosome complex | Descriptor: | 28S rRNA (300-MER, fragments), 5.8S rRNA (58-MER), ... | Authors: | Klein, M.A, Wild, K, Sinning, I. | Deposit date: | 2024-06-14 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Multi-protein assemblies orchestrate enzymatic processing of the nascent chain on the 80S ribosome To Be Published
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9FP6
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![BU of 9fp6 by Molmil](/molmil-images/mine/9fp6) | |
9FOY
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![BU of 9foy by Molmil](/molmil-images/mine/9foy) | Ternary complex of a Mycobacterium tuberculosis DNA gyrase core fusion with DNA and the inhibitor AMK32b | Descriptor: | (1~{R})-2-[4-[[4-bromanyl-3,5-bis(fluoranyl)phenyl]methylamino]cyclohexyl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol, (1~{S})-2-[4-[[4-bromanyl-3,5-bis(fluoranyl)phenyl]methylamino]cyclohexyl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G)-3'), ... | Authors: | Kokot, M, Hrast, M, Feng, L, Mitchenall, L.A, Lawson, D.M, Maxwell, A, Minovski, N, Anderluh, M. | Deposit date: | 2024-06-12 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Unraveling the Mycobacterium tuberculosis DNA gyrase-DNA-NBTI complex To be published
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