3S1V
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![BU of 3s1v by Molmil](/molmil-images/mine/3s1v) | Transaldolase from Thermoplasma acidophilum in complex with D-fructose 6-phosphate Schiff-base intermediate | Descriptor: | FRUCTOSE -6-PHOSPHATE, GLYCEROL, Probable transaldolase | Authors: | Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K. | Deposit date: | 2011-05-16 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism. Nat.Chem.Biol., 7, 2011
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3S0C
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![BU of 3s0c by Molmil](/molmil-images/mine/3s0c) | Transaldolase wt of Thermoplasma acidophilum | Descriptor: | GLYCEROL, Probable transaldolase | Authors: | Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K. | Deposit date: | 2011-05-13 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism. Nat.Chem.Biol., 7, 2011
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3S1W
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![BU of 3s1w by Molmil](/molmil-images/mine/3s1w) | Transaldolase variant Lys86Ala from Thermoplasma acidophilum in complex with glycerol and citrate | Descriptor: | CITRATE ANION, GLYCEROL, Probable transaldolase | Authors: | Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K. | Deposit date: | 2011-05-16 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism. Nat.Chem.Biol., 7, 2011
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5O5S
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![BU of 5o5s by Molmil](/molmil-images/mine/5o5s) | X-ray crystal structure of the RapZ C-terminal domain from Escherichia coli | Descriptor: | MALONATE ION, RNase adapter protein RapZ | Authors: | Gonzalez, G.M, Durica-Mitic, S, Hardwick, S.W, Moncrieffe, M, Resch, M, Neumann, P, Ficner, R, Gorke, B, Luisi, B.F. | Deposit date: | 2017-06-02 | Release date: | 2017-08-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Structural insights into RapZ-mediated regulation of bacterial amino-sugar metabolism. Nucleic Acids Res., 45, 2017
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5O5O
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![BU of 5o5o by Molmil](/molmil-images/mine/5o5o) | X-ray crystal structure of RapZ from Escherichia coli (P32 space group) | Descriptor: | RNase adapter protein RapZ, SULFATE ION | Authors: | Gonzalez, G.M, Durica-Mitic, S, Hardwick, S.W, Moncrieffe, M, Resch, M, Neumann, P, Ficner, R, Gorke, B, Luisi, B.F. | Deposit date: | 2017-06-02 | Release date: | 2017-08-30 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (3.404 Å) | Cite: | Structural insights into RapZ-mediated regulation of bacterial amino-sugar metabolism. Nucleic Acids Res., 45, 2017
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5O5Q
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![BU of 5o5q by Molmil](/molmil-images/mine/5o5q) | X-ray crystal structure of RapZ from Escherichia coli (P3221 space group) | Descriptor: | RNase adapter protein RapZ, SULFATE ION | Authors: | Gonzalez, G.M, Durica-Mitic, S, Hardwick, S.W, Moncrieffe, M, Resch, M, Neumann, P, Ficner, R, Gorke, B, Luisi, B.F. | Deposit date: | 2017-06-02 | Release date: | 2017-08-30 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structural insights into RapZ-mediated regulation of bacterial amino-sugar metabolism. Nucleic Acids Res., 45, 2017
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3PWC
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![BU of 3pwc by Molmil](/molmil-images/mine/3pwc) | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-12-08 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3PYH
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![BU of 3pyh by Molmil](/molmil-images/mine/3pyh) | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | Descriptor: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, CHLORIDE ION, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-12-13 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3PMJ
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![BU of 3pmj by Molmil](/molmil-images/mine/3pmj) | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, CHLORIDE ION, Cationic trypsin, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-11-17 | Release date: | 2011-11-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3PM3
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![BU of 3pm3 by Molmil](/molmil-images/mine/3pm3) | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-11-16 | Release date: | 2011-12-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3Q00
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![BU of 3q00 by Molmil](/molmil-images/mine/3q00) | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, CALCIUM ION, Cationic trypsin, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-12-15 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3PLB
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![BU of 3plb by Molmil](/molmil-images/mine/3plb) | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-11-15 | Release date: | 2011-12-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3PLP
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![BU of 3plp by Molmil](/molmil-images/mine/3plp) | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | Descriptor: | 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE, CALCIUM ION, Cationic trypsin, ... | Authors: | Tziridis, A, Neumann, P, Braeuer, U, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-11-15 | Release date: | 2011-12-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3PLK
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![BU of 3plk by Molmil](/molmil-images/mine/3plk) | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Tziridis, A, Neumann, P, Braeuer, U, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-11-15 | Release date: | 2011-12-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3PWB
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![BU of 3pwb by Molmil](/molmil-images/mine/3pwb) | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-12-08 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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8OMR
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![BU of 8omr by Molmil](/molmil-images/mine/8omr) | Human tRNA guanine transglycosylase (TGT) bound to tRNAAsp | Descriptor: | 9-DEAZAGUANINE, Queuine tRNA-ribosyltransferase accessory subunit 2, Queuine tRNA-ribosyltransferase catalytic subunit 1, ... | Authors: | Sievers, K, Neumann, P, Susac, L, Trowitzsch, S, Tampe, R, Ficner, R. | Deposit date: | 2023-03-31 | Release date: | 2023-12-20 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural and functional insights into tRNA recognition by human tRNA guanine transglycosylase. Structure, 32, 2024
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8OGY
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![BU of 8ogy by Molmil](/molmil-images/mine/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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8OF6
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![BU of 8of6 by Molmil](/molmil-images/mine/8of6) | |
8OHB
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![BU of 8ohb by Molmil](/molmil-images/mine/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
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![BU of 8ohl by Molmil](/molmil-images/mine/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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8OGK
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![BU of 8ogk by Molmil](/molmil-images/mine/8ogk) | |
8OGR
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![BU of 8ogr by Molmil](/molmil-images/mine/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
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![BU of 8ogv by Molmil](/molmil-images/mine/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
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![BU of 8ogz by Molmil](/molmil-images/mine/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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8OHJ
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![BU of 8ohj by Molmil](/molmil-images/mine/8ohj) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry G08 | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}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 (1.22 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry G08 To Be Published
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