7Z6L
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![BU of 7z6l by Molmil](/molmil-images/mine/7z6l) | Crystal structure of PROTAC 5 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | Descriptor: | (2~{S},4~{R})-~{N}-[[2-[3-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Roy, M.J, Bader, G, Farnaby, W, Ciulli, A. | Deposit date: | 2022-03-12 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo. Nat Commun, 13, 2022
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7Z77
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![BU of 7z77 by Molmil](/molmil-images/mine/7z77) | Crystal structure of compound 6 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | Descriptor: | (2~{S},4~{R})-~{N}-[(1~{S})-4-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | Deposit date: | 2022-03-15 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo. Nat Commun, 13, 2022
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7Z76
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![BU of 7z76 by Molmil](/molmil-images/mine/7z76) | Crystal structure of compound 10 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | Descriptor: | (2~{S},4~{R})-~{N}-[(1~{R})-2-[(2~{R})-1-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | Deposit date: | 2022-03-15 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo. Nat Commun, 13, 2022
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7Z78
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![BU of 7z78 by Molmil](/molmil-images/mine/7z78) | Crystal structure of compound 4 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | Descriptor: | 4-bromanyl-7-cyclopentyl-9-piperidin-4-yl-benzimidazolo[1,2-a]quinazolin-5-one, Probable global transcription activator SNF2L2, ZINC ION | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | Deposit date: | 2022-03-15 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo. Nat Commun, 13, 2022
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1CDT
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![BU of 1cdt by Molmil](/molmil-images/mine/1cdt) | CARDIOTOXIN V4/II FROM NAJA MOSSAMBICA MOSSAMBICA: THE REFINED CRYSTAL STRUCTURE | Descriptor: | CARDIOTOXIN VII4, PHOSPHATE ION | Authors: | Rees, B, Bilwes, A, Samama, J.P, Moras, D. | Deposit date: | 1990-05-17 | Release date: | 1991-07-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Cardiotoxin VII4 from Naja mossambica mossambica. The refined crystal structure. J.Mol.Biol., 214, 1990
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3GJD
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![BU of 3gjd by Molmil](/molmil-images/mine/3gjd) | Crystal Structure of LeuT with bound OG | Descriptor: | CHLORIDE ION, LEUCINE, SODIUM ION, ... | Authors: | Winther, A.M.L, Quick, M, Javitch, J.A, Nissen, P. | Deposit date: | 2009-03-08 | Release date: | 2009-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation Proc.Natl.Acad.Sci.USA, 106, 2009
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3GJC
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![BU of 3gjc by Molmil](/molmil-images/mine/3gjc) | Crystal Structure of the E290S mutant of LeuT with bound OG | Descriptor: | LEUCINE, SODIUM ION, Transporter, ... | Authors: | Winther, A.M.L, Quick, M, Javitch, J.A, Nissen, P. | Deposit date: | 2009-03-08 | Release date: | 2009-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation Proc.Natl.Acad.Sci.USA, 106, 2009
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6I3S
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![BU of 6i3s by Molmil](/molmil-images/mine/6i3s) | Crystal structure of MDM2 in complex with compound 13. | Descriptor: | (3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | Authors: | Bader, G, Kessler, D. | Deposit date: | 2018-11-07 | Release date: | 2018-12-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Targeted Synthesis of Complex Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-ones by Intramolecular Cyclization of Azomethine Ylides: Highly Potent MDM2-p53 Inhibitors. ChemMedChem, 14, 2019
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6HYF
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![BU of 6hyf by Molmil](/molmil-images/mine/6hyf) | |
2ONO
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![BU of 2ono by Molmil](/molmil-images/mine/2ono) | |
2ONM
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![BU of 2onm by Molmil](/molmil-images/mine/2onm) | Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with NAD+ | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Aldehyde dehydrogenase, ... | Authors: | Larson, H.N, Hurley, T.D. | Deposit date: | 2007-01-24 | Release date: | 2007-03-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487. J.Biol.Chem., 282, 2007
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2ONN
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![BU of 2onn by Molmil](/molmil-images/mine/2onn) | |
2ONP
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![BU of 2onp by Molmil](/molmil-images/mine/2onp) | Arg475Gln Mutant of Human Mitochondrial Aldehyde Dehydrogenase, complexed with NAD+ | Descriptor: | 1,2-ETHANEDIOL, Aldehyde dehydrogenase, GUANIDINE, ... | Authors: | Larson, H.N, Hurley, T.D. | Deposit date: | 2007-01-24 | Release date: | 2007-03-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487. J.Biol.Chem., 282, 2007
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3SZB
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![BU of 3szb by Molmil](/molmil-images/mine/3szb) | |
3SZA
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![BU of 3sza by Molmil](/molmil-images/mine/3sza) | Crystal structure of human ALDH3A1 - apo form | Descriptor: | ACETATE ION, Aldehyde dehydrogenase, dimeric NADP-preferring, ... | Authors: | Khanna, M, Hurley, T.D. | Deposit date: | 2011-07-18 | Release date: | 2011-11-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases. J.Biol.Chem., 286, 2011
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