3V12
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![BU of 3v12 by Molmil](/molmil-images/mine/3v12) | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-12-09 | Release date: | 2012-12-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 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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3UNQ
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![BU of 3unq by Molmil](/molmil-images/mine/3unq) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-11-16 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.62 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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3UUZ
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![BU of 3uuz by Molmil](/molmil-images/mine/3uuz) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-11-29 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 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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3UNS
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![BU of 3uns by Molmil](/molmil-images/mine/3uns) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-11-16 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 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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3UOP
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![BU of 3uop by Molmil](/molmil-images/mine/3uop) | Bovine trypsin variant X(triplePhe227) 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: | 2011-11-17 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.69 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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3UQV
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![BU of 3uqv by Molmil](/molmil-images/mine/3uqv) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | Descriptor: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-11-21 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 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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3UY9
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![BU of 3uy9 by Molmil](/molmil-images/mine/3uy9) | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | Descriptor: | BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-12-06 | Release date: | 2012-12-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.22 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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2PUK
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![BU of 2puk by Molmil](/molmil-images/mine/2puk) | Crystal structure of the binary complex between ferredoxin: thioredoxin reductase and thioredoxin m | Descriptor: | Ferredoxin-thioredoxin reductase, catalytic chain, variable chain, ... | Authors: | Dai, S, Friemann, R, Schurmann, P, Eklund, H. | Deposit date: | 2007-05-09 | Release date: | 2007-07-10 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural snapshots along the reaction pathway of ferredoxin-thioredoxin reductase. Nature, 448, 2007
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3V13
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![BU of 3v13 by Molmil](/molmil-images/mine/3v13) | Bovine trypsin variant X(tripleGlu217Phe227) 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: | 2011-12-09 | Release date: | 2012-12-12 | 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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7NZJ
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![BU of 7nzj by Molmil](/molmil-images/mine/7nzj) | Structure of bsTrmB apo | Descriptor: | GLYCEROL, SODIUM ION, tRNA (guanine-N(7)-)-methyltransferase | Authors: | Blersch, K.F, Ficner, R, Neumann, P. | Deposit date: | 2021-03-24 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural model of the M7G46 Methyltransferase TrmB in complex with tRNA. Rna Biol., 18, 2021
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7NZI
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![BU of 7nzi by Molmil](/molmil-images/mine/7nzi) | TrmB complex with SAH | Descriptor: | GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(7)-)-methyltransferase | Authors: | Blersch, K.F, Ficner, R, Neumann, P. | Deposit date: | 2021-03-24 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural model of the M7G46 Methyltransferase TrmB in complex with tRNA. Rna Biol., 18, 2021
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7NYB
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![BU of 7nyb by Molmil](/molmil-images/mine/7nyb) | TrmB complex with SAM | Descriptor: | S-ADENOSYLMETHIONINE, tRNA (guanine-N(7)-)-methyltransferase | Authors: | Blersch, K.F, Ficner, R, Neumann, P. | Deposit date: | 2021-03-22 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural model of the M7G46 Methyltransferase TrmB in complex with tRNA. Rna Biol., 18, 2021
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3SOE
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![BU of 3soe by Molmil](/molmil-images/mine/3soe) | Crystal Structure of the 3rd PDZ domain of the human Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (MAGI3) | Descriptor: | 1,2-ETHANEDIOL, Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 | Authors: | Ivarsson, Y, Filippakopoulos, P, Picaud, S, Vollmar, M, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S, Zimmermann, P, Structural Genomics Consortium (SGC) | Deposit date: | 2011-06-30 | Release date: | 2011-07-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of the 3rd PDZ domain of the human Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (MAGI3) To be Published
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3V0X
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![BU of 3v0x by Molmil](/molmil-images/mine/3v0x) | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-12-09 | Release date: | 2012-12-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bovine trypsin variants X(tripleGlu217Phe227) in complexes with small molecule inhibitor To be Published
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3EY6
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![BU of 3ey6 by Molmil](/molmil-images/mine/3ey6) | Crystal structure of the FK506-binding domain of human FKBP38 | Descriptor: | FK506-binding protein 8 | Authors: | Parthier, C, Maestre-Martinez, M, Neumann, P, Edlich, F, Fischer, G, Luecke, C, Stubbs, M.T. | Deposit date: | 2008-10-19 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | A charge-sensitive loop in the FKBP38 catalytic domain modulates Bcl-2 binding. J.Mol.Recognit., 24, 2011
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8OFG
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![BU of 8ofg by Molmil](/molmil-images/mine/8ofg) | |
8OFH
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![BU of 8ofh by Molmil](/molmil-images/mine/8ofh) | |
8OFO
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![BU of 8ofo by Molmil](/molmil-images/mine/8ofo) | |
8OFJ
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![BU of 8ofj by Molmil](/molmil-images/mine/8ofj) | |
8OF6
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![BU of 8of6 by Molmil](/molmil-images/mine/8of6) | |
8OGP
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![BU of 8ogp by Molmil](/molmil-images/mine/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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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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8OGU
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![BU of 8ogu by Molmil](/molmil-images/mine/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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8OGW
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![BU of 8ogw by Molmil](/molmil-images/mine/8ogw) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D02 | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide | 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 (1.17 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D02 To Be Published
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8OH1
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![BU of 8oh1 by Molmil](/molmil-images/mine/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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