5Q25
 
 | | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000532a | | Descriptor: | 1~{H}-indol-6-yl-(4-methylpiperazin-1-yl)methanone, DNA cross-link repair 1A protein, MALONATE ION, ... | | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2017-05-15 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5Q24
 | | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000676a | | Descriptor: | 4-[[[(4~{S})-2,2-dimethyloxan-4-yl]amino]methyl]phenol, DNA cross-link repair 1A protein, MALONATE ION, ... | | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2017-05-15 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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8JHQ
 | | Cryo-EM structure of human S1P transporter SPNS2 bound with S1P | | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Sphingosine-1-phosphate transporter SPNS2,GlgA glycogen synthase | | Authors: | Pang, B, Yu, L.Y, Ren, R.B. | | Deposit date: | 2023-05-25 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular basis of Spns2-facilitated sphingosine-1-phosphate transport.
Cell Res., 34, 2024
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6HHZ
 | | Klebsiella pneumoniae Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)cytidine | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-sulfamoyl)cytidine, CALCIUM ION, ... | | Authors: | Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V. | | Deposit date: | 2018-08-29 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
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8JQU
 | | Crystal structure of GppNHp bound GTPase domain of Rab5a from Leishmania donovani | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Pandey, D, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A. | | Deposit date: | 2023-06-14 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Crystal structure of GppNHp bound GTPase domain of Rab5a from Leishmania donovani
To Be Published
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6IF4
 | | Crystal structure of Tbtudor | | Descriptor: | Histone acetyltransferase | | Authors: | Gao, J, Ye, K, Diwu, Y, Liao, S, Tu, X. | | Deposit date: | 2018-09-18 | | Release date: | 2019-09-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.934 Å) | | Cite: | Crystal structure of TbEsa1 presumed Tudor domain from Trypanosoma brucei.
J.Struct.Biol., 209, 2020
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2Z83
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6HHY
 | | Klebsiella pneumoniae Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine, CALCIUM ION, ... | | Authors: | Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V. | | Deposit date: | 2018-08-29 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
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8OGY
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D04 | | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, methyl 4-fluoro-L-phenylalaninate | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D04
To Be Published
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8OHB
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E08 | | Descriptor: | 5-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-21 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E08
To Be Published
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8OHL
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H09 | | Descriptor: | (2~{R})-2-fluoranyl-2-(4-fluoranyl-1,2,4$l^{4}-triazacyclopenta-2,4-dien-1-yl)-1-phenyl-ethanone, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-21 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H09
To Be Published
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8OGR
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B07 | | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-[3-(diethylamino)phenyl]ethanamide | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B07
To Be Published
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8OGV
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C08 | | Descriptor: | (3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C08
To Be Published
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8OGZ
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D06 | | Descriptor: | (3-methoxyphenyl)-pyrrol-1-yl-methanone, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D06
To Be Published
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6HDZ
 | | Pseudomonas aeruginosa Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-Sulfamoyl)uridine, SODIUM ION, ... | | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2018-08-20 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
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8OGP
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B03 | | Descriptor: | 2-[(1~{S})-1-azanylpropyl]phenol, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B03
To Be Published
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8OH0
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D08 | | Descriptor: | 1-(2-ethylsulfonylethyl)-1,3,3-trimethyl-urea, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | 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 | | Descriptor: | 6-azanyl-3-methyl-1,3-benzoxazol-2-one, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-21 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E12
To Be Published
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8OGQ
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B06 | | Descriptor: | (1S)-1-(4-nitrophenyl)ethan-1-ol, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | 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 | | Descriptor: | 3-phenyl-1,2-oxazol-5-amine, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E04
To Be Published
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8OGS
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B08 | | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B08
To Be Published
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8OHG
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F09 | | Descriptor: | 4-pyridin-2-ylphenol, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-21 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | 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 | | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-21 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | 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 | | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ~{N},~{N}-diethyl-2-(4-nitrophenoxy)ethanamine | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-21 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H01
To Be Published
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8OGU
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C07 | | Descriptor: | 3,4-dihydro-1~{H}-quinolin-2-one, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C07
To Be Published
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