8RTL
 
 | | Af Aio C65F-C80G | | 分子名称: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-(2-METHOXYETHOXY)ETHANOL, ... | | 著者 | Engrola, F, Romao, M.J, Correia, M, Santos-Silva, T. | | 登録日 | 2024-01-26 | | 公開日 | 2025-08-06 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Alcaligenes faecalis Aio B C65F-C80G bound to Sb oxyanion
To Be Published
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8FH7
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8FH8
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9KXG
 | | Crystal structure of the PIN1 and fragment 41 complex. | | 分子名称: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | 著者 | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | 登録日 | 2024-12-06 | | 公開日 | 2025-10-08 | | 最終更新日 | 2025-10-15 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
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8U7E
 | | Structure of Sts-1 HP domain with rebamipide derivative | | 分子名称: | N-(4-ethylbenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine, Ubiquitin-associated and SH3 domain-containing protein B | | 著者 | Aziz, F, Dey, R, French, J.B. | | 登録日 | 2023-09-15 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | | 主引用文献 | Rebamipide and Derivatives are Potent, Selective Inhibitors of Histidine Phosphatase Activity of the Suppressor of T Cell Receptor Signaling Proteins.
J.Med.Chem., 67, 2024
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8Z2E
 | | Crystal structure of nanobody Tnb04-1 with antibody 1F11 fab and SARS-CoV-2 RBD | | 分子名称: | 1F11-H, 1F11-L, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Wang, X.Q, Zhang, L.Q, Chen, J, Dong, H.D. | | 登録日 | 2024-04-12 | | 公開日 | 2025-04-23 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of nanobody Tnb04-1 with antibody 1F11 fab and SARS-CoV-2 RBD
To Be Published
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5N82
 | | Crystal structure of an engineered TycA variant in complex with an beta-Phe-AMP analog | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Tyrocidine synthase 1, ... | | 著者 | Niquille, D.L, Hansen, D.L, Mori, T, Fercher, D, Kries, H, Hilvert, D. | | 登録日 | 2017-02-22 | | 公開日 | 2017-12-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.708 Å) | | 主引用文献 | Nonribosomal biosynthesis of backbone-modified peptides.
Nat Chem, 10, 2018
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8P7I
 | | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | | 分子名称: | (2~{S},6~{R})-2,6-dimethyl-1,3-dioxane-4,4-diol, FORMIC ACID, Parathion hydrolase, ... | | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | | 登録日 | 2023-05-30 | | 公開日 | 2023-10-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
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6HRW
 | | EthR2 in complex with compound 1 (BDM14272) | | 分子名称: | (1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one, Probable transcriptional regulatory protein | | 著者 | Wintjens, R, Wohlkonig, A, Tanina, A. | | 登録日 | 2018-09-28 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
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4NYB
 | | Crystal structure of the E. coli thiM riboswitch in complex with (4-(1,2,3-thiadiazol-4-yl)phenyl)methanamine | | 分子名称: | 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, MAGNESIUM ION, MANGANESE (II) ION, ... | | 著者 | Warner, K.D, Homan, P, Weeks, K.M, Smith, A.G, Abell, C, Ferre-D'Amare, A.R. | | 登録日 | 2013-12-10 | | 公開日 | 2014-06-04 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Validating Fragment-Based Drug Discovery for Biological RNAs: Lead Fragments Bind and Remodel the TPP Riboswitch Specifically.
Chem.Biol., 21, 2014
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6R2G
 | | Crystal structure of a single-chain protein mimetic of the gp41 NHR trimer in complex with the synthetic CHR peptide C34 | | 分子名称: | Envelope glycoprotein gp160, PHOSPHATE ION, Single-chain protein mimetics of the N-terminal heptad-repeat region of gp41 | | 著者 | Camara-Artigas, A, Conejero-Lara, F, Jurado, S, Cano-Munoz, M, Morel, B. | | 登録日 | 2019-03-17 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural and Thermodynamic Analysis of HIV-1 Fusion Inhibition Using Small gp41 Mimetic Proteins.
J.Mol.Biol., 431, 2019
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7NPH
 | | Crystal structure of Mycobacterium tuberculosis ArgC in complex with 5-methoxy-1,3-benzoxazole-2-carboxylic acid | | 分子名称: | 5-methoxy-1,3-benzoxazole-2-carboxylic acid, N-acetyl-gamma-glutamyl-phosphate reductase, PHOSPHATE ION | | 著者 | Gupta, P, Mendes, V, Blundell, T.L. | | 登録日 | 2021-02-26 | | 公開日 | 2021-06-30 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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6RBI
 | | Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol | | 分子名称: | 1,2-ETHANEDIOL, 5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ... | | 著者 | Johansson, C, Newman, J.A, Kawamura, A, Schofield, C.J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | | 登録日 | 2019-04-10 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
To Be Published
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8VRX
 | | Bile salt hydrolase from Arthrobacter citreus | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bile Salt Hydrolase, ... | | 著者 | Ruzzini, A, Dhindwal, P. | | 登録日 | 2024-01-22 | | 公開日 | 2024-02-07 | | 最終更新日 | 2025-04-09 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Structural and functional analysis of a bile salt hydrolase from the bison microbiome.
J.Biol.Chem., 300, 2024
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6R51
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5LQ1
 | | 1.41 A resolution structure of PtxB from Trichodesmium erythraeum IMS101 in complex with methylphosphonate | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, METHYLPHOSPHONIC ACID ESTER GROUP, ... | | 著者 | Bisson, C, Adams, N.B.P, Polyviou, D, Bibby, T.S, Hunter, C.N, Hitchcock, A. | | 登録日 | 2016-08-15 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | The molecular basis of phosphite and hypophosphite recognition by ABC-transporters.
Nat Commun, 8, 2017
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9LR5
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6HGK
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9GP4
 | | Jumonji domain-containing protein 2A with crystallization epitope mutations Q953E:A958D | | 分子名称: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4A, SULFATE ION | | 著者 | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | | 登録日 | 2024-09-06 | | 公開日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To be published
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6G84
 | | Structure of Cdc14 bound to CBK1 PxL motif | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CBK1, ... | | 著者 | Mouilleron, S, Kataria, M, Uhlmann, F. | | 登録日 | 2018-04-07 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | A PxL motif promotes timely cell cycle substrate dephosphorylation by the Cdc14 phosphatase.
Nat. Struct. Mol. Biol., 25, 2018
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8IT7
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8ITD
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4XQA
 | | CRYSTAL STRUCTURE OF AD37 FIBER KNOB IN COMPLEX WITH TRIVALENT SIALIC ACID INHIBITOR ME0462 | | 分子名称: | (1-{2-[bis(2-{4-[({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)methyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)methyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid, ACETATE ION, Fiber, ... | | 著者 | Stehle, T, Liaci, A.M. | | 登録日 | 2015-01-19 | | 公開日 | 2015-07-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.4072 Å) | | 主引用文献 | Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
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8IT8
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8ITC
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