7UEO
 
 | | PANK3 complex structure with compound PZ-3977 | | 分子名称: | 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-22 | | 公開日 | 2023-03-29 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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7RFL
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC0946 | | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, DNA Strand 1, ... | | 著者 | Horton, J.R, Cheng, X, Zhou, J. | | 登録日 | 2021-07-14 | | 公開日 | 2021-09-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
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7UEY
 | | PANK3 complex structure with compound PZ-4128 | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-hydroxyacetamide, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-22 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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5N28
 | | METHYL-COENZYME M REDUCTASE III FROM METHANOTORRIS FORMICICUS MONOCLINIC FORM | | 分子名称: | 1-THIOETHANESULFONIC ACID, Coenzyme B, FACTOR 430, ... | | 著者 | Wagner, T, Wegner, C.E, Ermler, U, Shima, S. | | 登録日 | 2017-02-07 | | 公開日 | 2017-06-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Phylogenetic and Structural Comparisons of the Three Types of Methyl Coenzyme M Reductase from Methanococcales and Methanobacteriales.
J.Bacteriol., 199, 2017
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9FBI
 | | Structure of human protein kinase ck2 catalytic subunit (ck2alpha, csnk2a2 gene product) in complex with the cyclic peptidomimetic compound fmp37 discovered by high-throughput screening | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha', ... | | 著者 | Niefind, K, Werner, C, Pietsch, M, Eimermacher, S, Lindenblatt, D. | | 登録日 | 2024-05-14 | | 公開日 | 2025-06-11 | | 実験手法 | X-RAY DIFFRACTION (1.161 Å) | | 主引用文献 | Discovery and characterization of a novel class of cyclic peptidic compounds inhibiting the assembly of the protein kinase CK2alpha2/beta2 holoenzyme
To Be Published
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7B50
 | | Notum complex with ARUK3003778 | | 分子名称: | 3-(3,4-dichlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | 著者 | Jones, E.Y, Fish, P. | | 登録日 | 2020-12-03 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
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7B7H
 | | The glucuronoyl esterase OtCE15A R268A variant from Opitutus terrae in complex with, and covalently linked to, D-glucuronate | | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCINE, ... | | 著者 | Mazurkewich, S, Larsbrink, J, Lo Leggio, L. | | 登録日 | 2020-12-10 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Mechanism and biomass association of glucuronoyl esterase: an alpha / beta hydrolase with potential in biomass conversion.
Nat Commun, 13, 2022
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7B8A
 | | Notum-Fragment 110 | | 分子名称: | 1,2-ETHANEDIOL, 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhao, Y, Jonees, E.Y. | | 登録日 | 2020-12-12 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Notum Fragment Screen
To Be Published
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9FR1
 | | Half-closed CODH/ACS in the as-isolated state | | 分子名称: | CO-dehydrogenase, CO-methylating acetyl-CoA synthase, Fe(3)-Ni(1)-S(4) cluster, ... | | 著者 | Ruickoldt, J, Wendler, P, Dobbek, H. | | 登録日 | 2024-06-18 | | 公開日 | 2025-07-02 | | 最終更新日 | 2025-09-17 | | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | | 主引用文献 | Ligand binding to a Ni-Fe cluster orchestrates conformational changes of the CO-dehydrogenase-acetyl-CoA synthase complex.
Nat Catal, 8, 2025
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6HDH
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9FRB
 | | CryoEM structure of human rho1 GABAA receptor in complex with CGP36742 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-azanylpropyl(butyl)phosphinic acid, CHLORIDE ION, ... | | 著者 | Fan, C, Howard, R.J, Lindahl, E. | | 登録日 | 2024-06-18 | | 公開日 | 2025-07-02 | | 最終更新日 | 2025-08-13 | | 実験手法 | ELECTRON MICROSCOPY (2.05 Å) | | 主引用文献 | Cryo-EM structures of rho 1 GABA A receptors with antagonist and agonist drugs.
Nat Commun, 16, 2025
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7B85
 | | Crystal Structure of EGFR-WT in Complex with TAK-788 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | | 登録日 | 2020-12-12 | | 公開日 | 2022-02-23 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors.
J.Med.Chem., 65, 2022
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9FRH
 | | CryoEM structure of human rho1 GABAA receptor in complex with (R)-GABOB in the primed state | | 分子名称: | (R)-amino-3-hydroxybutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Fan, C, Howard, R.J, Lindahl, E. | | 登録日 | 2024-06-18 | | 公開日 | 2025-07-02 | | 最終更新日 | 2025-08-13 | | 実験手法 | ELECTRON MICROSCOPY (2.14 Å) | | 主引用文献 | Cryo-EM structures of rho 1 GABA A receptors with antagonist and agonist drugs.
Nat Commun, 16, 2025
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9FRF
 | | CryoEM structure of human rho1 GABAA receptor in complex with (R)-GABOB in the desensitized state | | 分子名称: | (R)-amino-3-hydroxybutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Fan, C, Howard, R.J, Lindahl, E. | | 登録日 | 2024-06-18 | | 公開日 | 2025-07-02 | | 最終更新日 | 2025-08-13 | | 実験手法 | ELECTRON MICROSCOPY (2.41 Å) | | 主引用文献 | Cryo-EM structures of rho 1 GABA A receptors with antagonist and agonist drugs.
Nat Commun, 16, 2025
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9FRI
 | | CryoEM structure of human rho1 GABAA receptor in complex with (S)-GABOB in the primed state | | 分子名称: | (S)-amino-3-hydroxybutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Fan, C, Howard, R.J, Lindahl, E. | | 登録日 | 2024-06-18 | | 公開日 | 2025-07-02 | | 最終更新日 | 2025-08-13 | | 実験手法 | ELECTRON MICROSCOPY (2.14 Å) | | 主引用文献 | Cryo-EM structures of rho 1 GABA A receptors with antagonist and agonist drugs.
Nat Commun, 16, 2025
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5K8F
 | | Crystal structure of Acetyl-CoA Synthetase in complex with ATP and Acetyl-AMP from Cryptococcus neoformans H99 | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Acetyl-coenzyme A synthetase, ... | | 著者 | Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Delker, S.L, Potts, K.T, Lorimer, D.D, Edwards, T.E, Mutz, M.W. | | 登録日 | 2016-05-30 | | 公開日 | 2016-07-13 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Crystal structure of Acetyl-CoA Synthetase in complex with ATP and Acetyl-AMP from Cryptococcus neoformans H99
To Be Published
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7UIJ
 | | Structural studies of B5-OspC complex | | 分子名称: | 1,2-ETHANEDIOL, Monoclonal B5 Fab Heavy Chain, Monoclonal B5 Fab Light Chain, ... | | 著者 | Rudolph, M.J, Mantis, N. | | 登録日 | 2022-03-29 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | | 主引用文献 | Structural Elucidation of a Protective B Cell Epitope on Outer Surface Protein C (OspC) of the Lyme Disease Spirochete, Borreliella burgdorferi.
Mbio, 14, 2023
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7B8W
 | | Structure of LIMK1 Kinase domain with allosteric inhibitor TH-470 | | 分子名称: | 1,2-ETHANEDIOL, 2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide, LIM domain kinase 1 | | 著者 | Lee, H, Yosaatmadja, Y, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Elkins, J.M. | | 登録日 | 2020-12-13 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure of LIMK1 Kinase domain with allosteric inhibitor TH-470
To Be Published
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5ND6
 | | Crystal structure of apo transketolase from Chlamydomonas reinhardtii | | 分子名称: | 1,2-ETHANEDIOL, Transketolase | | 著者 | Fermani, S, Zaffagnini, M, Francia, F, Pasquini, M. | | 登録日 | 2017-03-07 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Structural basis for the magnesium-dependent activation of transketolase from Chlamydomonas reinhardtii.
Biochim. Biophys. Acta, 1861, 2017
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7UJ2
 | | OspC Type B | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Outer surface protein C | | 著者 | Rudolph, M.J, Mantis, N. | | 登録日 | 2022-03-30 | | 公開日 | 2023-04-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.503 Å) | | 主引用文献 | Structural Elucidation of a Protective B Cell Epitope on Outer Surface Protein C (OspC) of the Lyme Disease Spirochete, Borreliella burgdorferi.
Mbio, 14, 2023
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7MX3
 | | Crystal structure of human RIPK3 complexed with GSK'843 | | 分子名称: | 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine, Receptor-interacting serine/threonine-protein kinase 3 | | 著者 | Davies, K.A, Czabotar, P.E. | | 登録日 | 2021-05-18 | | 公開日 | 2021-11-24 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.23 Å) | | 主引用文献 | Human RIPK3 maintains MLKL in an inactive conformation prior to cell death by necroptosis.
Nat Commun, 12, 2021
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5NRR
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8K11
 | | SID1 transmembrane family member 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, SID1 transmembrane family member 2 | | 著者 | Guo, H, Qi, C, Lu, Y, Yang, H, Zhu, Y, Sun, F, Ji, X. | | 登録日 | 2023-07-10 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Cryo-EM structures of human SID-1 transmembrane family proteins and implications for their low-pH-dependent RNA transport activity.
Cell Res., 34, 2024
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6QR5
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | | 分子名称: | 3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazol-5-amine, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | 登録日 | 2019-02-19 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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8TP9
 | | H2 hemagglutinin (A/Singapore/1/1957) in complex with medial-junction-targeting Fab 2-2-1G06 | | 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, Heavy chain of Fab 2-2-1G06, ... | | 著者 | Yang, Y.R, Han, J, Perrett, H.R, Ward, A.B. | | 登録日 | 2023-08-04 | | 公開日 | 2023-10-11 | | 最終更新日 | 2025-05-14 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Immune memory shapes human polyclonal antibody responses to H2N2 vaccination.
Cell Rep, 43, 2024
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