6Y7Q
 
 | | Crystal Structure of the N-terminal PAS domain from the hERG3 Potassium Channel | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Potassium voltage-gated channel subfamily H member 7 | | 著者 | Cresser-Brown, J, Raven, E, Moody, P. | | 登録日 | 2020-03-02 | | 公開日 | 2020-08-12 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Discovery of a heme-binding domain in a neuronal voltage-gated potassium channel.
J.Biol.Chem., 295, 2020
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8V5H
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7ZO2
 | | L1 metallo-beta-lactamase complex with hydrolysed doripenem | | 分子名称: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, CHLORIDE ION, Metallo-beta-lactamase L1, ... | | 著者 | Hinchliffe, P, Spencer, J. | | 登録日 | 2022-04-24 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Interactions of hydrolyzed beta-lactams with the L1 metallo-beta-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products.
J.Biol.Chem., 299, 2023
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8VFQ
 | | De novo design apixaban-binding protein: apx1049 | | 分子名称: | 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE, De novo designed apixaban-binding protein apx1049 | | 著者 | Bera, A.K, Lee, G.R, Baker, D. | | 登録日 | 2023-12-21 | | 公開日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Small-molecule binding and sensing with a designed protein family
To Be Published
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3VOM
 | | Structure of a putative phosphoserine aminotransferase from mycobacterium tuberculosis | | 分子名称: | GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, Putative phosphoserine aminotransferase, ... | | 著者 | Coulibaly, F, Lassalle, E, Baker, H.M, Baker, E.N. | | 登録日 | 2012-01-30 | | 公開日 | 2012-02-22 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure of phosphoserine aminotransferase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 68, 2012
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7MON
 | | Structure of human RIPK3-MLKL complex | | 分子名称: | Mixed lineage kinase domain-like protein, N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 3 | | 著者 | Meng, Y, Davies, K.A, Czabotar, P.E, Murphy, J.M. | | 登録日 | 2021-05-03 | | 公開日 | 2021-11-17 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.23 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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4YLG
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9HD0
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 55 | | 分子名称: | 1,2-ETHANEDIOL, 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone, CALCIUM ION, ... | | 著者 | Casale, G, Le Bihan, Y.-V, van Montfort, R.L.M, Guettler, S. | | 登録日 | 2024-11-11 | | 公開日 | 2025-11-19 | | 最終更新日 | 2025-12-03 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Discovery of first-in-class inhibitors of the TRF1:TIN2 protein:protein interaction by fragment screening.
Sci Rep, 15, 2025
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7BLL
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9HCY
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 54 | | 分子名称: | 1,2-ETHANEDIOL, 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone, CALCIUM ION, ... | | 著者 | Casale, G, Le Bihan, Y.-V, van Montfort, R.L.M, Guettler, S. | | 登録日 | 2024-11-11 | | 公開日 | 2025-11-19 | | 最終更新日 | 2025-12-03 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Discovery of first-in-class inhibitors of the TRF1:TIN2 protein:protein interaction by fragment screening.
Sci Rep, 15, 2025
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9GP7
 | | Cryo EM structure of the E307T mutant of the human P2X4 receptor in complex with the anthraquinone derivative PSB-0704 | | 分子名称: | 1-azanyl-4-[(3-carboxy-4-phenylazanyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Nagel, J, Vaaen, V, Torp, J, Geyer, M, Claff, T, Hagelueken, G, Mueller, C.E. | | 登録日 | 2024-09-06 | | 公開日 | 2025-11-26 | | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | | 主引用文献 | Discovery of an allosteric P2X receptor binding site for anthraquinones by a chimeric approach combined with computational studies, bump-and-hole mutagenesis, and cryo-electron microscopy
To Be Published
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7M7G
 | | 6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 2 | | 分子名称: | 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ... | | 著者 | Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. | | 登録日 | 2021-03-28 | | 公開日 | 2021-11-17 | | 最終更新日 | 2025-05-21 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
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5KO1
 | | Pseudokinase Domain of MLKL bound to Compound 4. | | 分子名称: | Mixed lineage kinase domain-like protein, [(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate | | 著者 | Marcotte, D.J. | | 登録日 | 2016-06-29 | | 公開日 | 2016-11-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis.
Plos One, 11, 2016
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5WHI
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7BNF
 | | Notum Cotinine | | 分子名称: | (5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Zhao, Y, Jones, E.Y. | | 登録日 | 2021-01-22 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Notum Inhibitor
To Be Published
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5WM8
 | | Structure of the 10R (+)-cis-BP-dG modified Rev1 ternary complex | | 分子名称: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ... | | 著者 | Rechkoblit, O, Kolbanovsky, A, Landes, H, Geacintov, N.E, Aggarwal, A.K. | | 登録日 | 2017-07-28 | | 公開日 | 2017-10-25 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Mechanism of error-free replication across benzo[a]pyrene stereoisomers by Rev1 DNA polymerase.
Nat Commun, 8, 2017
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6P5M
 | | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Anti-Tumor Agent | | 分子名称: | 6-(5-methyl-1H-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one, Rho-associated protein kinase 2 | | 著者 | Hoffman, I.D, Skene, R.J. | | 登録日 | 2019-05-30 | | 公開日 | 2020-01-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 Inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Antitumor Agent.
J.Med.Chem., 63, 2020
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6P61
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3VWK
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7BLU
 | | Notum_Maybridge_56 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5-bis(chloranyl)-3-nitro-1~{H}-pyridazin-6-one, DIMETHYL SULFOXIDE, ... | | 著者 | Zhao, Y, Jones, E.Y. | | 登録日 | 2021-01-19 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Notum Inhibitor
To Be Published
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7U5G
 | | ACS122 Fab | | 分子名称: | ACS122 Fab Heavy chain, ACS122 Fab Light chain | | 著者 | Farokhi, E, Stanfield, R.L, Wilson, I.A. | | 登録日 | 2022-03-02 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Complementary antibody lineages achieve neutralization breadth in an HIV-1 infected elite neutralizer.
Plos Pathog., 18, 2022
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3FJX
 | | E. coli EPSP synthase (T97I) liganded with S3P | | 分子名称: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE | | 著者 | Schonbrunn, E. | | 登録日 | 2008-12-15 | | 公開日 | 2009-02-17 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli.
J.Biol.Chem., 284, 2009
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7BM3
 | | Notum Rosmarinic acid complex | | 分子名称: | (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhao, Y, Jones, E.Y. | | 登録日 | 2021-01-19 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Notum Inhibitor
To Be Published
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9N1T
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8RQK
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