8OGO
 
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry A12 | | 分子名称: | 3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry A12
To Be Published
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8OGP
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B03 | | 分子名称: | 2-[(1~{S})-1-azanylpropyl]phenol, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B03
To Be Published
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8OF5
 | | Crystal structure of Aurora A 122-403 C290A, N332A, Q335A, C393A bound to ADP | | 分子名称: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Miles, J.A, Hammond, K.L.R, Bayliss, R. | | 登録日 | 2023-03-14 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Crystal structure of Aurora A 122-403 C290A, N332A, Q335A, C393A bound to ADP
To Be Published
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8OH0
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D08 | | 分子名称: | 1-(2-ethylsulfonylethyl)-1,3,3-trimethyl-urea, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D08
To Be Published
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8OHC
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E12 | | 分子名称: | 6-azanyl-3-methyl-1,3-benzoxazol-2-one, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-21 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E12
To Be Published
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8FID
 | | Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 2) | | 分子名称: | (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Stewart Jr, C.E, Nagel, R. | | 登録日 | 2022-12-16 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8OGM
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8K14
 | | X-ray crystal structure of 18a in BRD4(1) | | 分子名称: | 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4 | | 著者 | Xu, H, Shen, H, Zhang, Y, Xu, Y, Li, R. | | 登録日 | 2023-07-10 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Discovery of (R)-4-(8-methoxy-2-methyl-1-(1-phenylethy)-1H-imidazo[4,5-c]quinnolin-7-yl)-3,5-dimethylisoxazole as a potent and selective BET inhibitor for treatment of acute myeloid leukemia (AML) guided by FEP calculation.
Eur.J.Med.Chem., 263, 2024
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8OGQ
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B06 | | 分子名称: | (1S)-1-(4-nitrophenyl)ethan-1-ol, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B06
To Be Published
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8OH1
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E04 | | 分子名称: | 3-phenyl-1,2-oxazol-5-amine, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E04
To Be Published
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8FIB
 | | Crystal Structure of Erwinia tracheiphila CYP114 | | 分子名称: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Stewart Jr, C.E, Nagel, R. | | 登録日 | 2022-12-16 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8OHH
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry G05 | | 分子名称: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-phenyl-N'-propan-2-ylurea | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-21 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry G05
To Be Published
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8OGN
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry A09 | | 分子名称: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, [1,2]thiazolo[5,4-b]pyridin-3-amine | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | CdaA in complex with fragment F2X-Entry A09
To Be Published
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8OGS
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B08 | | 分子名称: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B08
To Be Published
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4LPN
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8OHG
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F09 | | 分子名称: | 4-pyridin-2-ylphenol, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-21 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F09
To Be Published
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8OHE
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F03 | | 分子名称: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-21 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F03
To Be Published
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8OHK
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H01 | | 分子名称: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ~{N},~{N}-diethyl-2-(4-nitrophenoxy)ethanamine | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-21 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H01
To Be Published
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5MZX
 | | Crystal structure of the decarboxylase AibA/AibB in complex with 4'-diphospho pantetheine | | 分子名称: | 4'-diphospho pantetheine, ACETATE ION, GLYCEROL, ... | | 著者 | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | | 登録日 | 2017-02-02 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
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8OGU
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C07 | | 分子名称: | 3,4-dihydro-1~{H}-quinolin-2-one, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C07
To Be Published
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8OGT
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C04 | | 分子名称: | 2-hydrazinyl-4-methoxypyrimidine, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C04
To Be Published
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8OGW
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D02 | | 分子名称: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D02
To Be Published
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8OHF
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F04 | | 分子名称: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-21 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F04
To Be Published
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8OHO
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H11 | | 分子名称: | 1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea, Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ... | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-21 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H11
To Be Published
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8OJZ
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