8OWL
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![BU of 8owl by Molmil](/molmil-images/mine/8owl) | SR Ca(2+)-ATPase in the E2 state complexed with the photoswitch-thapsigargin derivative AzTG-6 | Descriptor: | ACETYL GROUP, SODIUM ION, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1, ... | Authors: | Hjorth-Jensen, S.J, Konrad, D.B, Quistgaard, E.M.H, Hansen, L.C, Novak, A, Chu, H, Jurasek, M, Zimmermann, T, Andersen, J.L, Baran, P.S, Nissen, P, Trauner, D. | Deposit date: | 2023-04-28 | Release date: | 2023-06-21 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Photoswitchable inhibitors of the sarco(endo)plasmic calcium pump To Be Published
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1KOG
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![BU of 1kog by Molmil](/molmil-images/mine/1kog) | Crystal structure of E. coli threonyl-tRNA synthetase interacting with the essential domain of its mRNA operator | Descriptor: | 5'-O-(N-(L-THREONYL)-SULFAMOYL)ADENOSINE, Threonyl-tRNA synthetase, Threonyl-tRNA synthetase mRNA, ... | Authors: | Torres-Larrios, A, Dock-Bregeon, A.C, Romby, P, Rees, B, Sankaranarayanan, R, Caillet, J, Springer, M, Ehresmann, C, Ehresmann, B, Moras, D. | Deposit date: | 2001-12-20 | Release date: | 2002-04-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural basis of translational control by Escherichia coli threonyl tRNA synthetase. Nat.Struct.Biol., 9, 2002
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7MZK
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![BU of 7mzk by Molmil](/molmil-images/mine/7mzk) | SARS-CoV-2 receptor binding domain bound to Fab WCSL 129 and Fab PDI 96 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ... | Authors: | Pymm, P, Dietrich, M.H, Tan, L.L, Chan, L.J, Tham, W.H. | Deposit date: | 2021-05-24 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain. Cell Rep, 37, 2021
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5ORP
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![BU of 5orp by Molmil](/molmil-images/mine/5orp) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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7MZJ
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![BU of 7mzj by Molmil](/molmil-images/mine/7mzj) | SARS-CoV-2 receptor binding domain bound to Fab WCSL 129 and Fab PDI 93 | Descriptor: | GLYCEROL, PDI 93 heavy chain, PDI 93 light chain, ... | Authors: | Pymm, P, Dietrich, M.H, Tan, L.L, Chan, L.J, Tham, W.H. | Deposit date: | 2021-05-24 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain. Cell Rep, 37, 2021
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5OS1
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![BU of 5os1 by Molmil](/molmil-images/mine/5os1) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 6-ethoxy-2-methyl-1,3-benzothiazole, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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6K0A
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![BU of 6k0a by Molmil](/molmil-images/mine/6k0a) | cryo-EM structure of an archaeal Ribonuclease P | Descriptor: | 50S ribosomal protein L7Ae, RPR, Ribonuclease P protein component 1, ... | Authors: | Wan, F, Lan, P, Wu, J, Lei, M. | Deposit date: | 2019-05-05 | Release date: | 2019-06-19 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Cryo-electron microscopy structure of an archaeal ribonuclease P holoenzyme. Nat Commun, 10, 2019
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9BK3
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![BU of 9bk3 by Molmil](/molmil-images/mine/9bk3) | Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (R-enantiomer, orthorhombic P form) | Descriptor: | (2R)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid, CHLORIDE ION, L-lactate dehydrogenase A chain, ... | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Sharma, H. | Deposit date: | 2024-04-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer. Eur.J.Med.Chem., 275, 2024
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5ORY
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![BU of 5ory by Molmil](/molmil-images/mine/5ory) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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5OSF
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![BU of 5osf by Molmil](/molmil-images/mine/5osf) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-17 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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9BEW
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![BU of 9bew by Molmil](/molmil-images/mine/9bew) | |
7NAC
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![BU of 7nac by Molmil](/molmil-images/mine/7nac) | State E2 nucleolar 60S ribosomal biogenesis intermediate - Composite model | Descriptor: | 25S rRNA, 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, ... | Authors: | Cruz, V.E, Sekulski, K, Peddada, N, Erzberger, J.P. | Deposit date: | 2021-06-21 | Release date: | 2022-11-09 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Sequence-specific remodeling of a topologically complex RNP substrate by Spb4. Nat.Struct.Mol.Biol., 29, 2022
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7ZAI
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![BU of 7zai by Molmil](/molmil-images/mine/7zai) | Cryo-EM structure of a Pyrococcus abyssi 30S bound to Met-initiator tRNA, mRNA and aIF1A. | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Coureux, P.D, Bourgeois, G, Mechulam, Y, Schmitt, E, Kazan, R. | Deposit date: | 2022-03-22 | Release date: | 2022-07-13 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Role of aIF5B in archaeal translation initiation. Nucleic Acids Res., 50, 2022
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7NAF
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![BU of 7naf by Molmil](/molmil-images/mine/7naf) | State E2 nucleolar 60S ribosomal biogenesis intermediate - Spb1-MTD local model | Descriptor: | 25S rRNA, 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, ... | Authors: | Cruz, V.E, Sekulski, K, Peddada, N, Erzberger, J.P. | Deposit date: | 2021-06-21 | Release date: | 2022-11-09 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Sequence-specific remodeling of a topologically complex RNP substrate by Spb4. Nat.Struct.Mol.Biol., 29, 2022
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9BK2
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![BU of 9bk2 by Molmil](/molmil-images/mine/9bk2) | Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (S-enantiomer, monoclinic P form) | Descriptor: | (2S)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid, DIMETHYL SULFOXIDE, L-lactate dehydrogenase A chain, ... | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Sharma, H, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2024-04-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer. Eur.J.Med.Chem., 275, 2024
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7ZAG
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![BU of 7zag by Molmil](/molmil-images/mine/7zag) | Cryo-EM structure of a Pyrococcus abyssi 30S bound to Met-initiator tRNA,mRNA, aIF1A and the C-terminal domain of aIF5B. | Descriptor: | 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | Authors: | Coureux, P.D, Bourgeois, G, Mechulam, Y, Schmitt, E, Kazan, R. | Deposit date: | 2022-03-22 | Release date: | 2022-08-03 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Role of aIF5B in archaeal translation initiation. Nucleic Acids Res., 50, 2022
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7ZAH
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![BU of 7zah by Molmil](/molmil-images/mine/7zah) | Cryo-EM structure of a Pyrococcus abyssi 30S bound to Met-initiator tRNA, mRNA, aIF1A and aIF5B | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Coureux, P.D, Bourgeois, G, Mechulam, Y, Schmitt, E, Kazan, R. | Deposit date: | 2022-03-22 | Release date: | 2022-08-03 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Role of aIF5B in archaeal translation initiation. Nucleic Acids Res., 50, 2022
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6FGM
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![BU of 6fgm by Molmil](/molmil-images/mine/6fgm) | The NMR solution structure of the peptide AC12 from Hypsiboas raniceps | Descriptor: | ALA-CYS-PHE-LEU-THR-ARG-LEU-GLY-THR-TYR-VAL-CYS | Authors: | Popov, C.S.F.C, Simas, B.S, Goodfellow, B.J, Bocca, A.L, Andrade, P.B, Pereira, D, Valentao, P, Pereira, P.J.B, Rodrigues, J.E, Veloso Jr, P.H.H, Rezende, T.M.B. | Deposit date: | 2018-01-11 | Release date: | 2019-01-09 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Host-defense peptides AC12, DK16 and RC11 with immunomodulatory activity isolated from Hypsiboas raniceps skin secretion. Peptides, 113, 2019
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6ET5
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![BU of 6et5 by Molmil](/molmil-images/mine/6et5) | Reaction centre light harvesting complex 1 from Blc. virids | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | Authors: | Qian, P, Siebert, C.A, Canniffe, D.P, Wang, P, Hunter, C.N. | Deposit date: | 2017-10-25 | Release date: | 2018-04-11 | Last modified: | 2019-10-23 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structure of the Blastochloris viridis LH1-RC complex at 2.9 angstrom. Nature, 556, 2018
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5IVT
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![BU of 5ivt by Molmil](/molmil-images/mine/5ivt) | Crystal Structure of HIV Protease complexed with [(1S)-1-[(S)-(4-chlorophenyl)-(3,5-difluorophenyl)methyl]-2-[[5-fluoro-4-[2-[(2R,5S)-5-(2,2,2-trifluoroethylcarbamoyloxymethyl)morpholin-4-ium-2-yl]ethyl]pyridin-1-ium-3-yl]amino]-2-oxo-ethyl]ammonium | Descriptor: | (betaS)-4-chloro-beta-(3,5-difluorophenyl)-N-(5-fluoro-4-{2-[(2R,5S)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}pyridin-3-yl)-L-phenylalaninamide, ACETATE ION, CHLORIDE ION, ... | Authors: | Su, H.P. | Deposit date: | 2016-03-21 | Release date: | 2016-05-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group. Acs Med.Chem.Lett., 7, 2016
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7L34
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![BU of 7l34 by Molmil](/molmil-images/mine/7l34) | Human DNA Ligase 1 - R641L nicked DNA complex | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Tumbale, P.P, Williams, R.S, Schellenberg, M.S. | Deposit date: | 2020-12-17 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | LIG1 syndrome mutations remodel a cooperative network of ligand binding interactions to compromise ligation efficiency. Nucleic Acids Res., 49, 2021
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7L35
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![BU of 7l35 by Molmil](/molmil-images/mine/7l35) | Human DNA Ligase 1 - R771W nicked DNA complex | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Tumbale, P.P, Williams, R.S, Schellenberg, M.S. | Deposit date: | 2020-12-17 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | LIG1 syndrome mutations remodel a cooperative network of ligand binding interactions to compromise ligation efficiency. Nucleic Acids Res., 49, 2021
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2PFK
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![BU of 2pfk by Molmil](/molmil-images/mine/2pfk) | |
8EQT
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![BU of 8eqt by Molmil](/molmil-images/mine/8eqt) | Structure of SARS-CoV-2 Orf3a in plasma membrane-like environment, MSP1D1 nanodisc | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ORF3a protein | Authors: | Miller, A.N, Houlihan, P.R, Matamala, E, Cabezas-Bratesco, D, Lee, G.Y, Cristofori-Armstrong, B, Dilan, T.L, Sanchez-Martinez, S, Matthies, D, Yan, R, Yu, Z, Ren, D, Brauchi, S.E, Clapham, D.E. | Deposit date: | 2022-10-09 | Release date: | 2023-02-08 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The SARS-CoV-2 accessory protein Orf3a is not an ion channel, but does interact with trafficking proteins. Elife, 12, 2023
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8PY5
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![BU of 8py5 by Molmil](/molmil-images/mine/8py5) | |