4O1U
 
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5I1F
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7NEX
 | | Crystal structure of alpha Carbonic anhydrase from Schistosoma mansoni bound to 1-(4-fluorophenyl)-3-(4-sulfamoylph enyl)thiourea | | 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, 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, ... | | 著者 | Ferraroni, M, Angeli, A, Supuran, C.T. | | 登録日 | 2021-02-05 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
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2W22
 | | Activation Mechanism of Bacterial Thermoalkalophilic Lipases | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX Y}-ETHOXY)-ETHANOL, CALCIUM ION, ... | | 著者 | Carrasco-Lopez, C, Godoy, C, De Las Rivas, B, Fernandez-Lorente, G, Palomo, J.M, Guisan, J.M, Fernandez-Lafuente, R, Hermoso, J.A. | | 登録日 | 2008-10-23 | | 公開日 | 2008-12-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Activation of bacterial thermoalkalophilic lipases is spurred by dramatic structural rearrangements.
J. Biol. Chem., 284, 2009
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7FX7
 | | Crystal Structure of human FABP4 with binding site mutated to FABP5 in complex with 5-methylsulfanyl-2-[(4-phenylmethoxy-1H-indazol-3-yl)methylsulfanyl]pyrimidin-4-ol, i.e. SMILES n1c(c(cnc1SCC1=NNc2c1c(OCc1ccccc1)ccc2)SC)O with IC50=0.372 microM | | 分子名称: | 1,2-ETHANEDIOL, 2-({[4-(benzyloxy)-1H-indazol-3-yl]methyl}sulfanyl)-5-(methylsulfanyl)pyrimidin-4-ol, DIMETHYL SULFOXIDE, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Lubbers, T, Rudolph, M.G. | | 登録日 | 2023-04-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2025-08-13 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
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3M7W
 | | Crystal Structure of Type I 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 in Covalent Complex with Dehydroquinate | | 分子名称: | 1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase, GLYCEROL | | 著者 | Minasov, G, Light, S.H, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2010-03-17 | | 公開日 | 2010-04-07 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Insights into the mechanism of type I dehydroquinate dehydratases from structures of reaction intermediates.
J.Biol.Chem., 286, 2011
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6A3J
 | | Levoglucosan dehydrogenase, complex with NADH and L-sorbose | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Putative dehydrogenase, ... | | 著者 | Sugiura, M, Yamada, C, Arakawa, T, Fushinobu, S. | | 登録日 | 2018-06-15 | | 公開日 | 2018-09-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification, functional characterization, and crystal structure determination of bacterial levoglucosan dehydrogenase.
J. Biol. Chem., 293, 2018
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4ZXC
 | | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD in complex with Fe3+ | | 分子名称: | FE (III) ION, Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit | | 著者 | Liu, S, Su, T, Zhang, C, Gu, L. | | 登録日 | 2015-05-20 | | 公開日 | 2015-09-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases.
J.Biol.Chem., 290, 2015
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5L3J
 | | ESCHERICHIA COLI DNA GYRASE B IN COMPLEX WITH BENZOTHIAZOLE-BASED INHIBITOR | | 分子名称: | 2-[[2-[[4,5-bis(bromanyl)-1~{H}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid, DNA gyrase subunit B, IODIDE ION | | 著者 | Gjorgjieva, M, Tomasic, T, Barancokova, M, Katsamakas, S, Ilas, J, Montalvao, S, Tammella, P, Peterlin Masic, L, Kikelj, D. | | 登録日 | 2016-05-23 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Discovery of Benzothiazole Scaffold-Based DNA Gyrase B Inhibitors.
J.Med.Chem., 59, 2016
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7KCO
 | | ROR gamma in complex with SCR2 and compound 3 | | 分子名称: | 1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide, GLYCEROL, Nuclear receptor ROR-gamma, ... | | 著者 | Durbin, J.D, Guo, S.Y, Stout, S.L, Clawson, D.K. | | 登録日 | 2020-10-06 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Defining Target Engagement Required for Efficacy In Vivo at the Retinoic Acid Receptor-Related Orphan Receptor C2 (ROR gamma t).
J.Med.Chem., 64, 2021
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6IDW
 | | GH6 Orpinomyces sp. Y102 enzyme | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, GLYCEROL, ... | | 著者 | Tsai, L.C, Huang, H.C. | | 登録日 | 2018-09-11 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | Crystal structures of the GH6 Orpinomyces sp. Y102 CelC7 enzyme with exo and endo activity and its complex with cellobiose.
Acta Crystallogr D Struct Biol, 75, 2019
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7UAD
 | | Crystal structure of human PTPN2 with inhibitor ABBV-CLS-484 | | 分子名称: | 5-{(7R)-1-fluoro-3-hydroxy-7-[(3-methylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl}-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, Tyrosine-protein phosphatase non-receptor type 2 | | 著者 | Longenecker, K.L, Qiu, W, Sun, Q, Frost, J.M. | | 登録日 | 2022-03-12 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.044 Å) | | 主引用文献 | The PTPN2/PTPN1 inhibitor ABBV-CLS-484 unleashes potent anti-tumour immunity.
Nature, 622, 2023
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5O9Q
 | | Crystal structure of ScGas2 in complex with compound 6 | | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(phenylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,3-beta-glucanosyltransferase GAS2, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | | 著者 | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | | 登録日 | 2017-06-20 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
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7Y7T
 | | QDE-1 in complex with 12nt DNA template, ATP and 3'-dGTP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*AP*G*AP*GP*AP*CP*CP*TP*TP*TP*T)-3'), GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Cui, R.X, Gan, J.H, Ma, J.B. | | 登録日 | 2022-06-22 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural insights into the dual activities of the two-barrel RNA polymerase QDE-1.
Nucleic Acids Res., 50, 2022
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6U7X
 | | NMR solution structure of triazole bridged plasmin inhibitor | | 分子名称: | 1-methyl-1H-1,2,3-triazole, GLY-ARG-ALA-TYR-LYS-SER-LYS-PRO-PRO-ILE-ALA-PHE-PRO-ASP | | 著者 | White, A.M, Harvey, P.J, Wang, C.K, Durek, T, Craik, D.J. | | 登録日 | 2019-09-03 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-10-30 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides.
Angew.Chem.Int.Ed.Engl., 59, 2020
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5FTW
 | | Crystal structure of glutamate O-methyltransferase in complex with S- adenosyl-L-homocysteine (SAH) from Bacillus subtilis | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHEMOTAXIS PROTEIN METHYLTRANSFERASE, GLYCEROL, ... | | 著者 | Sharma, R, Dhindwal, S, Batra, M, Aggarwal, M, Kumar, P, Tomar, S. | | 登録日 | 2016-01-18 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of Pentapeptide-Independent Chemotaxis Receptor Methyltransferase (Cher) Reveals Idiosyncratic Structural Determinants for Receptor Recognition.
J.Struct.Biol., 196, 2016
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7C6V
 | | Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to laminaritriose (Form II) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | 登録日 | 2020-05-22 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
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4STD
 | | HIGH RESOLUTION STRUCTURES OF SCYTALONE DEHYDRATASE-INHIBITOR COMPLEXES CRYSTALLIZED AT PHYSIOLOGICAL PH | | 分子名称: | N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE, Scytalone dehydratase | | 著者 | Wawrzak, Z, Sandalova, T, Steffens, J.J, Basarab, G.S, Lundqvist, T, Lindqvist, Y, Jordan, D.B. | | 登録日 | 1999-02-10 | | 公開日 | 1999-12-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | High-resolution structures of scytalone dehydratase-inhibitor complexes crystallized at physiological pH.
Proteins, 35, 1999
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7V7Z
 | | Cryo-EM structure of SARS-CoV-2 S-Beta variant (B.1.351) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form | | 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, Angiotensin-converting enzyme 2,Green fluorescent protein, ... | | 著者 | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | | 登録日 | 2021-08-22 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Cryo-EM structure of SARS-CoV-2 S-Beta variant (B.1.351) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form
To Be Published
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7CMN
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7V8A
 | | Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form conformation 2 | | 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, Angiotensin-converting enzyme 2,Angiotensin-converting enzyme 2 (ACE2) ectodomain, ... | | 著者 | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | | 登録日 | 2021-08-22 | | 公開日 | 2021-10-06 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form conformation 2
To Be Published
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7V8C
 | | Cryo-EM structure of SARS-CoV-2 S-Beta variant (B.1.351), Cleavable form, one RBD-up conformation | | 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, Spike glycoprotein | | 著者 | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | | 登録日 | 2021-08-22 | | 公開日 | 2021-10-06 | | 最終更新日 | 2025-06-25 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Cryo-EM structure of SARS-CoV-2 S-Beta variant (B.1.351), Cleavable form, one RBD-up conformation
To Be Published
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7V7U
 | | Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2), two RBD-up conformation 2 | | 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, Spike glycoprotein | | 著者 | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | | 登録日 | 2021-08-21 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2), two RBD-up conformation 2
To Be Published
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7V7R
 | | Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2), one RBD-up conformation 4 | | 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, Spike glycoprotein | | 著者 | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | | 登録日 | 2021-08-21 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2), one RBD-up conformation 4
To Be Published
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3EIH
 | | Crystal structure of S.cerevisiae Vps4 in the presence of ATPgammaS | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | 著者 | Gonciarz, M.D, Whitby, F.G, Eckert, D.M, Kieffer, C, Heroux, A, Sundquist, W.I, Hill, C.P. | | 登録日 | 2008-09-15 | | 公開日 | 2008-09-30 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Biochemical and structural studies of yeast vps4 oligomerization.
J.Mol.Biol., 384, 2008
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