6MCY
 
 | | Crystal structure of mouse Bak | | 分子名称: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, FORMIC ACID | | 著者 | Brouwer, J.M, Czabotar, P.E, Colman, P.M. | | 登録日 | 2018-09-03 | | 公開日 | 2019-09-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.748 Å) | | 主引用文献 | A small molecule interacts with VDAC2 to block mouse BAK-driven apoptosis.
Nat.Chem.Biol., 15, 2019
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6ELA
 | | Crystal structure of MMP12 in complex with inhibitor BE4. | | 分子名称: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ... | | 著者 | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | | 登録日 | 2017-09-28 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.485 Å) | | 主引用文献 | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
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8SMG
 | | Structure of SPO1 phage Tad2 in complex with 1''-2' gcADPR | | 分子名称: | (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione, Gp34.65 | | 著者 | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | | 登録日 | 2023-04-26 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
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8SMD
 | | Structure of Clostridium botulinum prophage Tad1 in complex with 1''-3' gcADPR | | 分子名称: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, ABC transporter ATPase | | 著者 | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | | 登録日 | 2023-04-26 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
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8E00
 | | Symmetry expansion of yeast cytoplasmic dynein-1 bound to Lis1 in the chi conformation. | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ... | | 著者 | Reimer, J.M, Lahiri, I, Leschziner, A.E. | | 登録日 | 2022-08-08 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Lis1 relieves cytoplasmic dynein-1 autoinhibition by acting as a molecular wedge.
Nat.Struct.Mol.Biol., 30, 2023
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7S6H
 | | Human PARP1 deltaV687-E688 bound to NAD+ analog EB-47 and to a DNA double strand break. | | 分子名称: | 1,2-ETHANEDIOL, 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, DNA (5'-D(*CP*GP*AP*CP*G)-3'), ... | | 著者 | Rouleau-Turcotte, E, Pascal, J.M. | | 登録日 | 2021-09-14 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Mol.Cell, 82, 2022
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6UAZ
 | | Crystal structure of a GH128 (subgroup III) curdlan-specific exo-beta-1,3-glucanase from Blastomyces gilchristii (BgGH128_III) in complex with glucose | | 分子名称: | Glyco_hydro_cc domain-containing protein, beta-D-glucopyranose | | 著者 | Costa, P.A.C.R, Santos, C.R, Domingues, M.N, Lima, E.A, Mandelli, F, Murakami, M.T. | | 登録日 | 2019-09-11 | | 公開日 | 2020-05-20 | | 最終更新日 | 2020-08-05 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
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6UB5
 | | Crystal structure (P21 form) of a GH128 (subgroup IV) endo-beta-1,3-glucanase from Lentinula edodes (LeGH128_IV) in complex with laminaritriose | | 分子名称: | CHLORIDE ION, Endo-beta-1,3-glucanase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ... | | 著者 | Santos, C.R, Lima, E.A, Mandelli, F, Murakami, M.T. | | 登録日 | 2019-09-11 | | 公開日 | 2020-05-20 | | 最終更新日 | 2020-08-05 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
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7AF2
 | | Salmonella typhimurium neuraminidase mutant (D62G) | | 分子名称: | GLYCEROL, PHOSPHATE ION, Sialidase | | 著者 | Salinger, M.T, Kuhn, P, Laver, W.G, Pape, T, Schneider, T.R, Sheldrick, G.M, Vimr, E.R, Garman, E.F. | | 登録日 | 2020-09-19 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (0.792 Å) | | 主引用文献 | Salmonella typhimurium neuraminidase mutant (D62G)
To Be Published
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6XNN
 | | Crystal Structure of Mouse STING CTD complex with SR-717. | | 分子名称: | 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, Stimulator of interferon genes protein | | 著者 | Chin, E.N, Yu, C, Wolan, D.W, Petrassi, H.M, Lairson, L.L. | | 登録日 | 2020-07-03 | | 公開日 | 2020-08-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic.
Science, 369, 2020
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7PP7
 | | Thunberia alata 16:0-ACP desaturase | | 分子名称: | Acyl-[acyl-carrier-protein] 6-desaturase, FE (III) ION | | 著者 | Guy, J.E, Whittle, E, Cai, Y, Chai, J, Lindqvist, Y, Shanklin, J. | | 登録日 | 2021-09-13 | | 公開日 | 2021-12-22 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Regioselectivity mechanism of the Thunbergia alata Delta 6-16:0-acyl carrier protein desaturase.
Plant Physiol., 188, 2022
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7ARE
 | | DNA origami pointer object v2 | | 分子名称: | SCAFFOLD STRAND, STAPLE STRAND | | 著者 | Thomas, M, Feigl, E, Kohler, F, Kube, M, 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 | 2020-10-24 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-05-01 | | 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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8C0B
 | | CryoEM structure of Aspergillus nidulans UTP-glucose-1-phosphate uridylyltransferase | | 分子名称: | UTP--glucose-1-phosphate uridylyltransferase | | 著者 | Han, X, D Angelo, C, Otamendi, A, Cifuente, J.O, de Astigarraga, E, Ochoa-Lizarralde, B, Grininger, M, Routier, F.H, Guerin, M.E, Fuehring, J, Etxebeste, O, Connell, S.R. | | 登録日 | 2022-12-16 | | 公開日 | 2023-06-28 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.98 Å) | | 主引用文献 | CryoEM analysis of the essential native UDP-glucose pyrophosphorylase from Aspergillus nidulans reveals key conformations for activity regulation and function.
Mbio, 14, 2023
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7NL0
 | | Cryo-EM structure of the Lin28B nucleosome core particle | | 分子名称: | DNA (131-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | 著者 | Roberts, G.A, Ozkan, B, Gachulincova, I, O Dwyer, M.R, Hall-Ponsele, E, Saxena, M, Robinson, P.J, Soufi, A. | | 登録日 | 2021-02-19 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Dissecting OCT4 defines the role of nucleosome binding in pluripotency.
Nat.Cell Biol., 23, 2021
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4XRY
 | | Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex | | 分子名称: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | | 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 (2.5 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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8CGT
 | | STRUCTURE OF CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED WITH A THIO-MALTOHEXAOSE | | 分子名称: | CALCIUM ION, PROTEIN (CYCLODEXTRIN-GLYCOSYLTRANSFERASE), alpha-D-glucopyranose-(1-4)-4-thio-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4-thio-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4-thio-alpha-D-glucopyranose | | 著者 | Schmidt, A.K, Schulz, G.E. | | 登録日 | 1998-09-27 | | 公開日 | 1998-10-14 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Substrate binding to a cyclodextrin glycosyltransferase and mutations increasing the gamma-cyclodextrin production.
Eur.J.Biochem., 255, 1998
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8EFS
 | | CryoEM of the soluble OPA1 tetramer from the apo helical assembly on a lipid membrane | | 分子名称: | Dynamin-like 120 kDa protein, form S1 | | 著者 | Nyenhuis, S.B, Wu, X, Stanton, A.E, Strub, M.P, Yim, Y.I, Canagarajah, B, Hinshaw, J.E. | | 登録日 | 2022-09-09 | | 公開日 | 2023-06-28 | | 最終更新日 | 2023-09-13 | | 実験手法 | ELECTRON MICROSCOPY (9.68 Å) | | 主引用文献 | OPA1 helical structures give perspective to mitochondrial dysfunction.
Nature, 620, 2023
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7B83
 | | Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc | | 分子名称: | 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ... | | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-12-12 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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7N86
 | | Crystal Structure of Human Protocadherin-24 EC1-2 Form II | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Modak, D, Gray, M.E, Sotomayor, M. | | 登録日 | 2021-06-13 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.175 Å) | | 主引用文献 | Heterophilic and homophilic cadherin interactions in intestinal intermicrovillar links are species dependent.
Plos Biol., 19, 2021
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7NCX
 | | Crystal structure of GH30 (double mutant EE) from Thermothelomyces thermophila. | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Dimarogona, M, Nikolaivits, E, Topakas, E, Weiss, M, Feiler, C.G. | | 登録日 | 2021-01-29 | | 公開日 | 2021-09-08 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Unique features of the bifunctional GH30 from Thermothelomyces thermophila revealed by structural and mutational studies
Carbohydrate Polymers, 273, 2021
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6F3L
 | | The crystal structure of Glycogen Phosphorylase in complex with 10b | | 分子名称: | 6-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid, Glycogen phosphorylase, muscle form, ... | | 著者 | Kyriakis, E, Barkas, T.A, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2017-11-28 | | 公開日 | 2018-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors.
Eur J Med Chem, 147, 2018
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8CAG
 | | Hypoxanthine-guanine phosphoribosyltransferase from E. coli | | 分子名称: | Hypoxanthine phosphoribosyltransferase, MAGNESIUM ION | | 著者 | Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Kostromina, M.A, Zayats, E.A, Kuranova, I.P, Esipov, R.S. | | 登録日 | 2023-01-24 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Hypoxanthine-guanine phosphoribosyltransferase from E. coli
To Be Published
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7AS5
 | | 126 helix bundle DNA nanostructure | | 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 | 2020-10-27 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (9.8 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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7Q28
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7Q27
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