7AEY
 
 | | Salmonella typhimurium neuraminidase in complex with isocarba-DANA. | | 分子名称: | (3~{S},4~{S},5~{R})-4-acetamido-3-oxidanyl-5-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Salinger, M.T, Kuhn, P, Laver, W.G, Pape, T, Schneider, T.R, Sheldrick, G.M, Vasella, A.T, Vimr, E.R, Vorwerk, S, Garman, E.F. | | 登録日 | 2020-09-18 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (0.919 Å) | | 主引用文献 | Salmonella typhimurium neuraminidase in complex with isocarba-DANA.
To Be Published
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6PK5
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6S4R
 | | The crystal structure of glycogen phosphorylase in complex with 11 | | 分子名称: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1,3-thiazol-4-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | 著者 | Kyriakis, E, Papaioannou, O.S.E, Solovou, T.G.A, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2019-06-28 | | 公開日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
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1FDP
 | | PROENZYME OF HUMAN COMPLEMENT FACTOR D, RECOMBINANT PROFACTOR D | | 分子名称: | PROENZYME OF COMPLEMENT FACTOR D | | 著者 | Jing, H, Macon, K.J, Moore, D, Delucas, L.J, Volanakis, J.E, Narayana, S.V.L. | | 登録日 | 1998-12-03 | | 公開日 | 1999-12-03 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis of profactor D activation: from a highly flexible zymogen to a novel self-inhibited serine protease, complement factor D.
Embo J., 18, 1999
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6TXA
 | | Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dGMPNPP and Mg | | 分子名称: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | | 著者 | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A, Kelly, G, Taylor, I.A. | | 登録日 | 2020-01-13 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.853 Å) | | 主引用文献 | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
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5XJQ
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6Y8K
 | | Crystal structure of CD137 in complex with the cyclic peptide BCY10916 | | 分子名称: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | Upadhyaya, P, Kublin, J, Dods, R, Kristensson, J, Lahdenranta, J, Kleyman, M, Repash, E, Ma, J, Mudd, G, Van Rietschoten, K, Haines, E, Harrison, H, Beswick, P, Chen, L, McDonnell, K, Battula, S, Hurov, K, Keen, N. | | 登録日 | 2020-03-05 | | 公開日 | 2021-02-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.011 Å) | | 主引用文献 | Anticancer immunity induced by a synthetic tumor-targeted CD137 agonist.
J Immunother Cancer, 9, 2021
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7N6P
 | | Crystal structure of the anti-EBOV and SUDV monoclonal antibody 1C3 Fab | | 分子名称: | 1C3 Fab heavy chain, 1C3 Fab light chain | | 著者 | Milligan, J.C, Yu, X, Buck, T, Saphire, E.O. | | 登録日 | 2021-06-08 | | 公開日 | 2022-04-06 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Asymmetric and non-stoichiometric glycoprotein recognition by two distinct antibodies results in broad protection against ebolaviruses.
Cell, 185, 2022
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8Q34
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide | | 著者 | MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M. | | 登録日 | 2023-08-03 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-08-14 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Mapping protein binding sites by photoreactive fragment pharmacophores.
Commun Chem, 7, 2024
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7ARV
 | | TwistTower_native-twist | | 分子名称: | SCAFFOLD STRAND, STAPLE STRAND | | 著者 | Kube, M, Kohler, F, Feigl, E, Nagel-Yuksel, B, Willner, E.M, Funke, J.J, Gerling, T, Stommer, P, Honemann, M.N, Martin, T.G, Scheres, S.H.W, Dietz, H. | | 登録日 | 2020-10-26 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (7.4 Å) | | 主引用文献 | Revealing the structures of megadalton-scale DNA complexes with nucleotide resolution.
Nat Commun, 11, 2020
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7ZR9
 | | OMI-2 FAB IN COMPLEX WITH SARS-COV-2 BETA SPIKE GLYCOPROTEIN | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Omi-2 Fab heavy chain, ... | | 著者 | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | | 登録日 | 2022-05-03 | | 公開日 | 2022-06-01 | | 最終更新日 | 2022-06-22 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
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7ARY
 | | Twist-Tower_twist-corrected-variant | | 分子名称: | SCAFFOLD STRAND, STAPLE STRAND | | 著者 | Kube, M, Kohler, F, Feigl, E, Nagel-Yuksel, B, Willner, E.M, Funke, J.J, Gerling, T, Stommer, P, Honemann, M.N, Martin, T.G, Scheres, S.H.W, Dietz, H. | | 登録日 | 2020-10-26 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (8.5 Å) | | 主引用文献 | Revealing the structures of megadalton-scale DNA complexes with nucleotide resolution.
Nat Commun, 11, 2020
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7ZR7
 | | OMI-42 FAB IN COMPLEX WITH SARS-COV-2 BETA SPIKE GLYCOPROTEIN | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Omi-42 heavy chain, ... | | 著者 | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | | 登録日 | 2022-05-03 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
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4XRZ
 | | Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex | | 分子名称: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, GLYCEROL, ... | | 著者 | Johnson, E.F, Fan, Y. | | 登録日 | 2015-01-21 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
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6YGJ
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6YHW
 | | Co-crystals in the P212121 space group, of a beta-cyclodextrin spacered by triazole heptyl from alpha-D-mannose, with FimH lectin at 2.00 A resolution. | | 分子名称: | 2H-1,2,3-TRIAZOL-4-YLMETHANOL, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), FimH, ... | | 著者 | de Ruyck, J, Bouckaert, J. | | 登録日 | 2020-03-31 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.962 Å) | | 主引用文献 | The Antiadhesive Strategy in Crohn's Disease: Orally Active Mannosides to Decolonize Pathogenic Escherichia coli from the Gut.
Chembiochem, 17, 2016
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6PKA
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6UWP
 | | BACE-1 in complex with compound #32 | | 分子名称: | (1R,2R)-2-[(4aR,7aR)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ... | | 著者 | Hendle, J, Timm, D.E. | | 登録日 | 2019-11-05 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
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7APE
 | | Crystal structure of LpqY from Mycobacterium thermoresistible in complex with trehalose | | 分子名称: | Lipoprotein (Sugar-binding) lpqY, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | | 著者 | Furze, C.M, Guy, C.M, Angula, J, Cameron, A.D, Fullam, E. | | 登録日 | 2020-10-16 | | 公開日 | 2021-04-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural basis of trehalose recognition by the mycobacterial LpqY-SugABC transporter.
J.Biol.Chem., 296, 2021
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4Y5Q
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6UVP
 | | BACE-1 in complex with compound #3 | | 分子名称: | Beta-secretase 1, GLYCEROL, N-{(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide, ... | | 著者 | Hendle, J, Timm, D.E. | | 登録日 | 2019-11-04 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
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5CKY
 | | Crystal Structure of the MTERF1 R162A substitution bound to the termination sequence. | | 分子名称: | 5' -D (*TP*AP*AP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*CP*CP*CP*GP*GP*TP*AP*AP*T)-3', 5'-D(*AP*TP*TP*AP*CP*CP*GP*GP*GP*CP*TP*CP*TP*GP*CP*CP*AP*TP*CP*TP*TP*A)-3', Transcription termination factor 1, ... | | 著者 | Byrnes, J, Hauser, K, Norona, L, Mejia, E, Simmerling, C, Garcia-Diaz, M. | | 登録日 | 2015-07-15 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Base Flipping by MTERF1 Can Accommodate Multiple Conformations and Occurs in a Stepwise Fashion.
J.Mol.Biol., 428, 2016
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6UX8
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6PB1
 | | Cryo-EM structure of Urocortin 1-bound Corticotropin-releasing factor 2 receptor in complex with Gs protein and Nb35 | | 分子名称: | CHOLESTEROL, Corticotropin-releasing factor receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Ma, S, Shen, Q, Zhao, L.-H, Mao, C, Zhou, X.E, Shen, D.-D, de Waal, P.W, Bi, P, Li, C, Jiang, Y, Wang, M.-W, Sexton, P.M, Wootten, D, Melcher, K, Zhang, Y, Xu, H.E. | | 登録日 | 2019-06-12 | | 公開日 | 2020-02-12 | | 最終更新日 | 2020-02-19 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Molecular Basis for Hormone Recognition and Activation of Corticotropin-Releasing Factor Receptors.
Mol.Cell, 77, 2020
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1FM4
 | | CRYSTAL STRUCTURE OF THE BIRCH POLLEN ALLERGEN BET V 1L | | 分子名称: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, MAJOR POLLEN ALLERGEN BET V 1-L | | 著者 | Markovic-Housley, Z, Degano, M, Lamba, D, von Roepenack-Lahaye, E, Clemens, S, Susani, M, Ferreira, F, Scheiner, O, Breiteneder, H. | | 登録日 | 2000-08-16 | | 公開日 | 2002-12-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Crystal Structure of a Hypoallergenic Isoform of the Major Birch Pollen Allergen Bet
v 1 and its Likely Biological Function as a Plant Steroid Carrier
J.Mol.Biol., 325, 2003
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