2HCS
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4FXH
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2LDC
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![BU of 2ldc by Molmil](/molmil-images/mine/2ldc) | Solution structure of the estrogen receptor-binding stapled peptide SP1 (Ac-HXILHXLLQDS-NH2) | Descriptor: | Estrogen receptor-binding stapled peptide SP1 | Authors: | Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. | Deposit date: | 2011-05-20 | Release date: | 2011-07-06 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Design and structure of stapled peptides binding to estrogen receptors. J.Am.Chem.Soc., 133, 2011
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4FXE
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4FZ4
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![BU of 4fz4 by Molmil](/molmil-images/mine/4fz4) | Crystal structure of HP0197-18kd | Descriptor: | CHLORIDE ION, NITRATE ION, Uncharacterized protein conserved in bacteria | Authors: | Yuan, Z, Yan, X. | Deposit date: | 2012-07-06 | Release date: | 2012-12-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Molecular mechanism by which surface antigen HP0197 mediates host cell attachment in the pathogenic bacteria Streptococcus suis J.Biol.Chem., 288, 2013
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4FZQ
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![BU of 4fzq by Molmil](/molmil-images/mine/4fzq) | Crystal structure of HP0197-G5 | Descriptor: | Uncharacterized protein conserved in bacteria | Authors: | Yuan, Z, Yan, X. | Deposit date: | 2012-07-07 | Release date: | 2012-12-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular mechanism by which surface antigen HP0197 mediates host cell attachment in the pathogenic bacteria Streptococcus suis J.Biol.Chem., 288, 2013
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2LDD
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![BU of 2ldd by Molmil](/molmil-images/mine/2ldd) | Solution structure of the estrogen receptor-binding stapled peptide SP6 (Ac-EKHKILXRLLXDS-NH2) | Descriptor: | Estrogen receptor-binding stapled peptide SP6 | Authors: | Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. | Deposit date: | 2011-05-21 | Release date: | 2011-07-06 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Design and structure of stapled peptides binding to estrogen receptors. J.Am.Chem.Soc., 133, 2011
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2LDA
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![BU of 2lda by Molmil](/molmil-images/mine/2lda) | Solution structure of the estrogen receptor-binding stapled peptide SP2 (Ac-HKXLHQXLQDS-NH2) | Descriptor: | Estrogen receptor-binding stapled peptide SP2 | Authors: | Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. | Deposit date: | 2011-05-20 | Release date: | 2011-07-06 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Design and structure of stapled peptides binding to estrogen receptors. J.Am.Chem.Soc., 133, 2011
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8SHJ
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![BU of 8shj by Molmil](/molmil-images/mine/8shj) | Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279 | Descriptor: | N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91 | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-04-14 | Release date: | 2023-07-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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8RIW
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![BU of 8riw by Molmil](/molmil-images/mine/8riw) | T2R-TTL-1-L01 complex | Descriptor: | (2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Prota, A.E.P, Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E. | Deposit date: | 2023-12-19 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Modular synthesis of functional libraries by accelerated SuFEx click chemistry. Chem Sci, 15, 2024
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8RIV
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![BU of 8riv by Molmil](/molmil-images/mine/8riv) | T2R-TTL-1-K08 complex | Descriptor: | (4-fluoranyl-2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E, Prota, A.E.P. | Deposit date: | 2023-12-19 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Modular synthesis of functional libraries by accelerated SuFEx click chemistry. Chem Sci, 15, 2024
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8RPO
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![BU of 8rpo by Molmil](/molmil-images/mine/8rpo) | BFL1 in complex with a reversible covalent ligand | Descriptor: | (~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]prop-2-enamide, Bcl-2-related protein A1 | Authors: | Hargreaves, D. | Deposit date: | 2024-01-16 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.791 Å) | Cite: | Identification and Evaluation of Reversible Covalent Binders to Cys55 of Bfl-1 from a DNA-Encoded Chemical Library Screen. Acs Med.Chem.Lett., 15, 2024
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1AI2
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![BU of 1ai2 by Molmil](/molmil-images/mine/1ai2) | ISOCITRATE DEHYDROGENASE COMPLEXED WITH ISOCITRATE, NADP+, AND CALCIUM (FLASH-COOLED) | Descriptor: | ISOCITRATE CALCIUM COMPLEX, ISOCITRATE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Stoddard, B.L, Mesecar, A, Koshland Junior, D.E. | Deposit date: | 1997-04-30 | Release date: | 1997-10-15 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Orbital steering in the catalytic power of enzymes: small structural changes with large catalytic consequences. Science, 277, 1997
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1C7U
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8T55
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![BU of 8t55 by Molmil](/molmil-images/mine/8t55) | Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654 | Descriptor: | 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91 | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-12 | Release date: | 2023-07-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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8SXR
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![BU of 8sxr by Molmil](/molmil-images/mine/8sxr) | Crystal structure of SARS-CoV-2 Mpro with C5a | Descriptor: | 3C-like proteinase nsp5, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide | Authors: | Worrall, L.J, Kenward, C, Lee, J, Strynadka, N.C.J. | Deposit date: | 2023-05-23 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.114 Å) | Cite: | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants. Emerg Microbes Infect, 12, 2023
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1BL5
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![BU of 1bl5 by Molmil](/molmil-images/mine/1bl5) | ISOCITRATE DEHYDROGENASE FROM E. COLI SINGLE TURNOVER LAUE STRUCTURE OF RATE-LIMITED PRODUCT COMPLEX, 10 MSEC TIME RESOLUTION | Descriptor: | 2-OXOGLUTARIC ACID, ISOCITRATE DEHYDROGENASE, MAGNESIUM ION, ... | Authors: | Stoddard, B.L, Cohen, B, Brubaker, M, Mesecar, A, Koshland Junior, D.E. | Deposit date: | 1998-07-23 | Release date: | 1999-05-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Millisecond Laue structures of an enzyme-product complex using photocaged substrate analogs. Nat.Struct.Biol., 5, 1998
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8QPH
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![BU of 8qph by Molmil](/molmil-images/mine/8qph) | Crystal structure of Lymantria dispar CPV14 polyhedra 14 crystals | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | Authors: | Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G. | Deposit date: | 2023-10-02 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source To Be Published
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8QQC
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![BU of 8qqc by Molmil](/molmil-images/mine/8qqc) | Crystal structure of Lymantria dispar CPV14 polyhedra single crystal | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | Authors: | Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G. | Deposit date: | 2023-10-04 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source To Be Published
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8T8N
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8TBE
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![BU of 8tbe by Molmil](/molmil-images/mine/8tbe) | Co-crystal structure of SARS-CoV-2 Mpro with Pomotrelvir | Descriptor: | 3C-like proteinase nsp5, Pomotrelvir bound form | Authors: | Olland, A, Fontano, E, White, A. | Deposit date: | 2023-06-28 | Release date: | 2023-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Evaluation of in vitro antiviral activity of SARS-CoV-2 M pro inhibitor pomotrelvir and cross-resistance to nirmatrelvir resistance substitutions. Antimicrob.Agents Chemother., 67, 2023
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8SVK
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![BU of 8svk by Molmil](/molmil-images/mine/8svk) | Crystal structure of Bax D71N core domain BH3-groove dimer | Descriptor: | Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Miller, M.S, Czabotar, P.E, Colman, P.M. | Deposit date: | 2023-05-16 | Release date: | 2023-12-27 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids. Febs J., 291, 2024
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8SRX
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![BU of 8srx by Molmil](/molmil-images/mine/8srx) | Crystal structure of BAK-BAX heterodimer with lysoPC | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, Bcl-2 homologous antagonist/killer, ... | Authors: | Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S. | Deposit date: | 2023-05-07 | Release date: | 2023-12-27 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids. Febs J., 291, 2024
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8SRY
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![BU of 8sry by Molmil](/molmil-images/mine/8sry) | Crystal structure of BAK-BAX heterodimer with C12E8 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, ... | Authors: | Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S. | Deposit date: | 2023-05-08 | Release date: | 2023-12-27 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids. Febs J., 291, 2024
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8SUX
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![BU of 8sux by Molmil](/molmil-images/mine/8sux) | Structure of E. coli PtuA hexamer | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, PtuA | Authors: | Shen, Z.F, Yang, X.Y, Fu, T.M. | Deposit date: | 2023-05-13 | Release date: | 2024-01-10 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | PtuA and PtuB assemble into an inflammasome-like oligomer for anti-phage defense. Nat.Struct.Mol.Biol., 31, 2024
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