8BZD
 
 | | deAc-FC stabilizer of 14-3-3 and ERalpha | | 分子名称: | 14-3-3 protein sigma, De-acetylated Fusicoccin, ERalpha peptide, ... | | 著者 | Visser, E.J, Ottmann, C. | | 登録日 | 2022-12-14 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
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8PA5
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2540 | | 分子名称: | 3-(3-ethoxy-5-methyl-pyridin-4-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-07 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2540
To Be Published
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8PAN
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2653 | | 分子名称: | 7-[(1~{S})-1-[4-(aminomethyl)phenoxy]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-08 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2653
To Be Published
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8PAM
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2652 | | 分子名称: | 7-[(1~{R})-1-[[4-(aminomethyl)phenyl]methoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-08 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2652
To Be Published
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6OWZ
 | | Spy H96L:Im7 L19pI-Phe complex; multiple anomalous datasets contained herein for element identification | | 分子名称: | CHLORIDE ION, IMIDAZOLE, IODIDE ION, ... | | 著者 | Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S. | | 登録日 | 2019-05-12 | | 公開日 | 2019-05-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Identifying dynamic, partially occupied residues using anomalous scattering.
Acta Crystallogr D Struct Biol, 75, 2019
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7N8U
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8BZE
 | | FC-J stabilizer for ERa and 14-3-3 | | 分子名称: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]oxy]-6-(2-methylbut-3-en-2-yloxymethyl)oxane-3,4,5-triol, 14-3-3 protein sigma, ERalpha peptide, ... | | 著者 | Visser, E.J, Ottmann, C. | | 登録日 | 2022-12-14 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a new potential intervention strategy for endocrine resistance in breast cancer
To Be Published
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7N9J
 | | Crystal structure of H2DB in complex with HSF2 melanoma neoantigen | | 分子名称: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | | 著者 | Patskovsky, Y, Finnigan, J, Patskovska, L, Newman, J, Bhardwaj, N, Krogsgaard, M. | | 登録日 | 2021-06-18 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Structure of the complex between H2DB and melanoma HSF2 neoantigen YGFRNVVHI
To be Published
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6UGN
 | | Human Carbonic Anhydrase 2 complexed with SB4-205 | | 分子名称: | 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | | 著者 | Murray, A.B, Supuran, C.T, McKenna, R. | | 登録日 | 2019-09-26 | | 公開日 | 2019-12-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.406 Å) | | 主引用文献 | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
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8BZG
 | | FC-31 stabilizer of 14-3-3 and ERalpha | | 分子名称: | 14-3-3 protein sigma, ERalpha peptide, Fusicoccin 31, ... | | 著者 | Visser, E.J, Ottmann, C. | | 登録日 | 2022-12-14 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
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7N60
 | | The crystal structure of 4-methoxybenzoate-bound CYP199A S244D mutant | | 分子名称: | 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ... | | 著者 | Lau, I.C.K, Coleman, T, Bell, S.G, Bruning, J.B. | | 登録日 | 2021-06-07 | | 公開日 | 2022-06-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.892 Å) | | 主引用文献 | The crystal structure of 4-methoxybenzoate-bound CYP199A S244D mutant
To Be Published
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6ONZ
 | | Dehaloperoxidase B in complex with substtrate 4-nitro-cresol | | 分子名称: | 1,2-ETHANEDIOL, 2-methyl-4-nitrophenol, Dehaloperoxidase B, ... | | 著者 | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | | 登録日 | 2019-04-22 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
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7NA5
 | | Structure of the H2DB-TCR ternary complex with HSF2 melanoma neoantigen | | 分子名称: | 47BE7 TCR alpha chain, 47BE7 TCR beta chain, Beta-2-microglobulin, ... | | 著者 | Patskovsky, Y, Finnigan, J, Patskovska, L, Newman, J, Bhardwaj, N, Krogsgaard, M. | | 登録日 | 2021-06-19 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of the TCR-H2DB ternary complex with melanoma HSF2 neoantigen YGFRNVVHI
To be Published
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6OOI
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5ZYM
 | | Crystal structure of CERT START domain in complex with compound E25B | | 分子名称: | 2-[4-[4-cyclopentyl-3-[(1~{R},2~{S})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL, LIPID-TRANSFER PROTEIN CERT | | 著者 | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | 登録日 | 2018-05-25 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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7SO0
 | | Crystal Structure of the Engineered Tick Evasin EVA-P974(F31A) Complexed to Human Chemokine CCL2 | | 分子名称: | C-C motif chemokine 2, Evasin P974 | | 著者 | Bhusal, R.P, Devkota, S.R, Aryal, P, Wilce, M.C.J, Stone, M.J. | | 登録日 | 2021-10-28 | | 公開日 | 2022-03-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Structure-guided engineering of tick evasins for targeting chemokines in inflammatory diseases.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8OLV
 | | Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+ and ARN25850 | | 分子名称: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Group IIC intron, ... | | 著者 | Silvestri, I, Marcia, M. | | 登録日 | 2023-03-30 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
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8P8Y
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 1657 | | 分子名称: | 3-(2-acetamido-1,3-benzothiazol-7-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-04 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 1657
To Be Published
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6UHU
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6AC9
 | | Crystal structure of human Vaccinia-related kinase 1 (VRK1) in complex with AMP-PNP | | 分子名称: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Ngow, Y.S, Sreekanth, R, Yoon, H.S. | | 登録日 | 2018-07-25 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Crystal structure of human vaccinia-related kinase 1 in complex with AMP-PNP, a non-hydrolyzable ATP analog.
Protein Sci., 28, 2019
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7MYJ
 | | Structure of full length human AMPK (a2b1g1) in complex with a small molecule activator MSG011 | | 分子名称: | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ... | | 著者 | Ovens, A.J, Gee, Y.S, Ling, N.X.Y, Waters, N.J, Yu, D, Scott, J.W, Parker, M.W, Hoffman, N.J, Kemp, B.E, Baell, J.B, Oakhill, J.S, Langendorf, C.G. | | 登録日 | 2021-05-21 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Structure-function analysis of the AMPK activator SC4 and identification of a potent pan AMPK activator.
Biochem.J., 479, 2022
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8BZT
 | | FC-NAg stabilizer of 14-3-3 and ERalpha | | 分子名称: | 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ... | | 著者 | Visser, E.J, Ottmann, C. | | 登録日 | 2022-12-15 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
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8P9T
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2483 | | 分子名称: | 7-[(1~{S})-1-(4-azanylbutanoyloxy)ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-06 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2483
To Be Published
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6OQM
 | | crystal structure of the MSH6 PWWP domain | | 分子名称: | DNA mismatch repair protein Msh6, MAGNESIUM ION, SULFATE ION, ... | | 著者 | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | 登録日 | 2019-04-26 | | 公開日 | 2019-05-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | crystal structure of the MSH6 PWWP domain
To Be Published
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8PAH
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2596 | | 分子名称: | 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]methoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-07 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2596
To Be Published
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