7M7K
 
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8QT3
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-5 and NAD+ | | 分子名称: | (2S)-2-dodecylsulfanylpropanoic acid, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ... | | 著者 | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | 登録日 | 2023-10-12 | | 公開日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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7BQO
 | | The structure of HpiI in complex with its substrate analogue | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one, GLYCEROL, ... | | 著者 | Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y. | | 登録日 | 2020-03-25 | | 公開日 | 2020-10-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | An enzymatic Alder-ene reaction.
Nature, 586, 2020
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7M7D
 | | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-8968 | | 分子名称: | (5S)-6,6-dimethyl-8-[(4S)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Leonard, P.G, Cross, J.B. | | 登録日 | 2021-03-27 | | 公開日 | 2021-09-01 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
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8BAY
 | | Crystal Structure of IDH1 variant R132C S280F in complex with NADPH, Ca2+ and 3-butyl-2-oxoglutarate | | 分子名称: | (R)-3-butyl-2-oxopentanedioic acid, (S)-3-butyl-2-oxopentanedioic acid, CALCIUM ION, ... | | 著者 | Rabe, P, Schofield, C.J, Reinbold, R, Brewitz, L. | | 登録日 | 2022-10-12 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Natural and synthetic 2-oxoglutarate derivatives are substrates for oncogenic variants of human isocitrate dehydrogenase 1 and 2.
J.Biol.Chem., 299, 2023
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8R52
 | | The complex of Glycogen Phosphorylase with epigallocatechin (EGC). | | 分子名称: | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | | 著者 | Alexopoulos, S, Papakostopoulou, S, Koulas, M.S, Leonidas, D.D, Skamnaki, V. | | 登録日 | 2023-11-15 | | 公開日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Evidence for the Quercetin Binding Site of Glycogen Phosphorylase as a Target for Liver-Isoform-Selective Inhibitors against Glioblastoma: Investigation of Flavanols Epigallocatechin Gallate and Epigallocatechin.
J.Agric.Food Chem., 2024
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8BBM
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8B7S
 | | Crystal structure of the Chloramphenicol-inactivating oxidoreductase from Novosphingobium sp | | 分子名称: | Chloramphenicol-inactivating oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Zhang, L, Toplak, M, Saleem-Batcha, R, Hoeing, L, Jakob, R.P, Jehmlich, N, von Bergen, M, Maier, T, Teufel, R. | | 登録日 | 2022-10-03 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Bacterial Dehydrogenases Facilitate Oxidative Inactivation and Bioremediation of Chloramphenicol.
Chembiochem, 24, 2023
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7RJ8
 | | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | | 著者 | Pokross, M, Muckelbauer, J. | | 登録日 | 2021-07-20 | | 公開日 | 2022-02-23 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors.
J.Med.Chem., 65, 2022
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8BB4
 | | Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with C3 linker | | 分子名称: | Elongin-B, Elongin-C, WD repeat-containing protein 5, ... | | 著者 | Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2022-10-12 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023
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7BVJ
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7M63
 | | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-70099 | | 分子名称: | (2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide, Indoleamine 2,3-dioxygenase 1 | | 著者 | Leonard, P.G, Cross, J.B. | | 登録日 | 2021-03-25 | | 公開日 | 2021-09-01 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
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7BVY
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7R6O
 | | Pyrrolysyl-tRNA synthetase from methanogenic archaeon ISO4-G1 (G1PylRS) | | 分子名称: | 1,2-ETHANEDIOL, Pyrrolysyl-tRNA synthetase PylS, SULFATE ION | | 著者 | Frkic, R.L, Huber, T, Jackson, C.J. | | 登録日 | 2021-06-23 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Genetic Encoding of Cyanopyridylalanine for In-Cell Protein Macrocyclization by the Nitrile-Aminothiol Click Reaction.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7M5U
 | | Crystal structure of human MPP8 chromodomain in complex with peptidomimetic ligand UNC5246 | | 分子名称: | M-phase phosphoprotein 8, UNC5246 | | 著者 | Budziszewski, G.R, McGinty, R.K, Waybright, J.M, Norris, J.L, James, L.I. | | 登録日 | 2021-03-24 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | A Peptidomimetic Ligand Targeting the Chromodomain of MPP8 Reveals HRP2's Association with the HUSH Complex.
Acs Chem.Biol., 16, 2021
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6JEZ
 | | Covalent labeling of rVDR-LBD by turn-on fluorescent probe mediated by conjugate addition and cyclization | | 分子名称: | (1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol, 7-(diethylamino)chromen-2-one, Mediator of RNA polymerase II transcription subunit 1, ... | | 著者 | Kojima, H, Yamamoto, K, Itoh, T. | | 登録日 | 2019-02-07 | | 公開日 | 2020-02-12 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins.
Cell Chem Biol, 27, 2020
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8SA9
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7RFV
 | | Tailspike protein 4 (TSP4) from phage CBA120, residues 1-250, obtained in the presence of PEG8000 | | 分子名称: | Tailspike protein | | 著者 | Chao, K, Shang, X, Grenfield, J, Linden, S.B, Nelson, D.C, Herzberg, O. | | 登録日 | 2021-07-14 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structure of Escherichia coli O157:H7 bacteriophage CBA120 tailspike protein 4 baseplate anchor and tailspike assembly domains (TSP4-N).
Sci Rep, 12, 2022
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8BFD
 | | Racemic structure of PK-7 (310HD-U2U5) | | 分子名称: | 310HD-U2U5, D-310HD-U2U5, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Kumar, P, Paterson, N.G, Woolfson, D.N. | | 登録日 | 2022-10-25 | | 公開日 | 2022-11-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | De novo design of discrete, stable 3 10 -helix peptide assemblies.
Nature, 607, 2022
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8BK0
 | | Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with LDN-211904 | | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chlorophenyl)-6-piperidin-4-yl-imidazo[1,2-a]pyridine-3-carboxamide | | 著者 | Zhubi, R, Gerninghaus, J, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | 登録日 | 2022-11-08 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with LDN-211904
To Be Published
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6JG2
 | | Crystal structure of barley exohydrolaseI wildtype in complex with 4'-nitrophenyl thiolaminaribioside | | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Barley exohydrolase I, ... | | 著者 | Luang, S, Streltsov, V.A, Hrmova, M. | | 登録日 | 2019-02-13 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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8SA7
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8BFM
 | | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ331 | | 分子名称: | Calcium/calmodulin-dependent protein kinase type 1D, SULFATE ION, pyrazolo[5,1-a]phthalazin-6-amine | | 著者 | Kraemer, A, Zhu, W.F, Hernandez-Olmos, V, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2022-10-26 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2)
To Be Published
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6JGD
 | | Crystal structure of barley exohydrolaseI W286Y mutant in complex with methyl 6-thio-beta-gentiobioside | | 分子名称: | ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, GLYCEROL, ... | | 著者 | Luang, S, Streltsov, V.A, Hrmova, M. | | 登録日 | 2019-02-13 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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6JPW
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