7L8H
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![BU of 7l8h by Molmil](/molmil-images/mine/7l8h) | EV68 3C protease (3Cpro) in Complex with Rupintrivir | Descriptor: | 3C Protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | Authors: | Lockbaum, G.J, Henes, M, Lee, J.M, Timm, J, Nalivaika, E.A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A. | Deposit date: | 2020-12-31 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode. Biochemistry, 60, 2021
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2CFK
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![BU of 2cfk by Molmil](/molmil-images/mine/2cfk) | AGAO in complex with wc5 (Ru-wire inhibitor, 5-carbon linker) | Descriptor: | COPPER (II) ION, GLYCEROL, PHENYLETHYLAMINE OXIDASE, ... | Authors: | Langley, D.B, Duff, A.P, Freeman, H.C, Guss, J.M, Juda, G.A, Dooley, D.M, Contakes, S.M, Halpern-Manners, N.W, Dunn, A.R, Gray, H.B. | Deposit date: | 2006-02-21 | Release date: | 2007-05-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Enantiomer-specific binding of ruthenium(II) molecular wires by the amine oxidase of Arthrobacter globiformis. J. Am. Chem. Soc., 130, 2008
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7L5M
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![BU of 7l5m by Molmil](/molmil-images/mine/7l5m) | Crystal Structure of the DiB-RM-split Protein | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lipocalin family protein, SODIUM ION, ... | Authors: | Bozhanova, N.G, Harp, J.M, Meiler, J. | Deposit date: | 2020-12-22 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Computational redesign of a fluorogen activating protein with Rosetta. Plos Comput.Biol., 17, 2021
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7L5L
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7L5K
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![BU of 7l5k by Molmil](/molmil-images/mine/7l5k) | Crystal structure of the DiB-RM protein | Descriptor: | DODECYL-BETA-D-MALTOSIDE, ISOPROPYL ALCOHOL, Lipocalin family protein, ... | Authors: | Bozhanova, N.G, Harp, J.M, Meiler, J. | Deposit date: | 2020-12-22 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Computational redesign of a fluorogen activating protein with Rosetta. Plos Comput.Biol., 17, 2021
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5U9X
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![BU of 5u9x by Molmil](/molmil-images/mine/5u9x) | Ocellatin-LB2 | Descriptor: | Ocellatin-K1 | Authors: | Gusmao, K.A.G, dos Santos, D.M, Santos, V.M, Pilo-Veloso, D, de Lima, M.E, Resende, J.M. | Deposit date: | 2016-12-18 | Release date: | 2017-03-01 | Method: | SOLUTION NMR | Cite: | Ocellatin-LB2 To Be Published
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2BN7
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![BU of 2bn7 by Molmil](/molmil-images/mine/2bn7) | Mn substituted E. coli Aminopeptidase P in complex with product and Zn | Descriptor: | CITRATE ANION, LEUCINE, MAGNESIUM ION, ... | Authors: | Graham, S.C, Bond, C.S, Freeman, H.C, Guss, J.M. | Deposit date: | 2005-03-22 | Release date: | 2005-09-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Functional Implications of Metal Ion Selection in Aminopeptidase P, a Metalloprotease with a Dinuclear Metal Center. Biochemistry, 44, 2005
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2BMJ
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![BU of 2bmj by Molmil](/molmil-images/mine/2bmj) | GTPase like domain of Centaurin Gamma 1 (Human) | Descriptor: | CENTAURIN GAMMA 1 | Authors: | Yang, X, Elkins, J.M, Soundararajan, M, Arrowsmith, C, Edwards, A, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2005-03-14 | Release date: | 2005-04-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Centaurin Gamma-1 Gtpase-Like Domain Functions as an Ntpase. Biochem.J., 401, 2007
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2BHA
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![BU of 2bha by Molmil](/molmil-images/mine/2bha) | E. coli Aminopeptidase P in complex with substrate | Descriptor: | CITRATE ANION, MAGNESIUM ION, VALINE-PROLINE-LEUCINE, ... | Authors: | Graham, S.C, Bond, C.S, Freeman, H.C, Guss, J.M. | Deposit date: | 2005-01-08 | Release date: | 2005-09-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Functional Implications of Metal Ion Selection in Aminopeptidase P, a Metalloprotease with a Dinuclear Metal Center. Biochemistry, 44, 2005
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2BT3
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![BU of 2bt3 by Molmil](/molmil-images/mine/2bt3) | AGAO in complex with Ruthenium-C4-wire at 1.73 angstroms | Descriptor: | BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~]{3-[4-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)BUTOXY]-N,N-DIMETHYLANILINATO(2-)}RUTHENIUM, COPPER (II) ION, GLYCEROL, ... | Authors: | Langley, D.B, Duff, A.P, Freeman, H.C, Guss, J.M, Juda, G.A, Dooley, D.M, Contakes, S.M, Halpern-Manners, N.W, Dunn, A.R, Gray, H.B. | Deposit date: | 2005-05-26 | Release date: | 2005-09-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Reversible Inhibition of Copper Amine Oxidase Activity by Channel-Blocking Ruthenium(II) and Rhenium(I) Molecular Wires. Proc.Natl.Acad.Sci.USA, 102, 2005
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2BWY
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![BU of 2bwy by Molmil](/molmil-images/mine/2bwy) | Glu383Ala Escherichia coli Aminopeptidase P | Descriptor: | AMINOPEPTIDASE P, CITRATE ANION, MAGNESIUM ION, ... | Authors: | Graham, S.C, Guss, J.M. | Deposit date: | 2005-07-19 | Release date: | 2006-01-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Kinetic and Crystallographic Analysis of Mutant Escherichia Coli Aminopeptidase P: Insights Into Substrate Recognition and the Mechanism of Catalysis. Biochemistry, 45, 2006
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5U9S
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![BU of 5u9s by Molmil](/molmil-images/mine/5u9s) | Ocellatin-F1, solution structure in TFE by NMR spectroscopy | Descriptor: | Ocellatin-F1 | Authors: | Gusmao, K.A.G, dos Santos, D.M, Santos, V.M, Pilo-Veloso, D, de Lima, M.E, Resende, J.M. | Deposit date: | 2016-12-18 | Release date: | 2017-03-29 | Method: | SOLUTION NMR | Cite: | Ocellatin-F1 To Be Published
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5U9Y
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![BU of 5u9y by Molmil](/molmil-images/mine/5u9y) | Ocellatin-F1 | Descriptor: | Ocellatin-K1 | Authors: | Gusmao, K.A.G, dos Santos, D.M, Santos, V.M, Pilo-Veloso, D, de Lima, M.E, Resende, J.M. | Deposit date: | 2016-12-18 | Release date: | 2017-03-01 | Last modified: | 2018-04-18 | Method: | SOLUTION NMR | Cite: | NMR structures in different membrane environments of three ocellatin peptides isolated from Leptodactylus labyrinthicus. Peptides, 103, 2018
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7KQV
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2BQ0
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![BU of 2bq0 by Molmil](/molmil-images/mine/2bq0) | 14-3-3 Protein Beta (Human) | Descriptor: | 14-3-3 BETA/ALPHA | Authors: | Yang, X, Elkins, J.M, Fedorov, O, Longman, E.J, Sobott, L, Ball, L.J, Sundstrom, M, Arrowsmith, C, Edwards, A, Doyle, D.A. | Deposit date: | 2005-04-26 | Release date: | 2005-05-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family. Proc.Natl.Acad.Sci.USA, 103, 2006
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2BR9
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![BU of 2br9 by Molmil](/molmil-images/mine/2br9) | 14-3-3 Protein Epsilon (Human) Complexed to Peptide | Descriptor: | 14-3-3 PROTEIN EPSILON, CONSENSUS PEPTIDE FOR 14-3-3 PROTEINS | Authors: | Yang, X, Elkins, J.M, Soundararajan, M, Fedorov, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Doyle, D.A. | Deposit date: | 2005-05-03 | Release date: | 2005-05-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family. Proc.Natl.Acad.Sci.USA, 103, 2006
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2BOV
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![BU of 2bov by Molmil](/molmil-images/mine/2bov) | Molecular recognition of an ADP-ribosylating Clostridium botulinum C3 exoenzyme by RalA GTPase | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MONO-ADP-RIBOSYLTRANSFERASE C3, ... | Authors: | Holbourn, K.P, Sutton, J.M, Evans, H.R, Shone, C.C, Acharya, K.R. | Deposit date: | 2005-04-14 | Release date: | 2005-04-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Molecular Recognition of an Adp-Ribosylating Clostridium Botulinum C3 Exoenzyme by Rala Gtpase Proc.Natl.Acad.Sci.USA, 102, 2005
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2C63
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![BU of 2c63 by Molmil](/molmil-images/mine/2c63) | 14-3-3 Protein Eta (Human) Complexed to Peptide | Descriptor: | 14-3-3 PROTEIN ETA, CONSENSUS PEPTIDE FOR 14-3-3 PROTEINS | Authors: | Elkins, J.M, Yang, X, Smee, C.E.A, Johansson, C, Sundstrom, M, Edwards, A, Weigelt, J, Arrowsmith, C, Doyle, D.A. | Deposit date: | 2005-11-07 | Release date: | 2005-11-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family. Proc.Natl.Acad.Sci.USA, 103, 2006
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5UGR
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![BU of 5ugr by Molmil](/molmil-images/mine/5ugr) | Malyl-CoA lyase from Methylobacterium extorquens | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Malyl-CoA lyase/beta-methylmalyl-CoA lyase, ... | Authors: | Gonzalez, J.M. | Deposit date: | 2017-01-09 | Release date: | 2017-02-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structure of Methylobacterium extorquens malyl-CoA lyase: CoA-substrate binding correlates with domain shift. Acta Crystallogr F Struct Biol Commun, 73, 2017
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2BWU
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![BU of 2bwu by Molmil](/molmil-images/mine/2bwu) | Asp271Ala Escherichia coli Aminopeptidase P | Descriptor: | AMINOPEPTIDASE P, CITRATE ANION, MAGNESIUM ION, ... | Authors: | Graham, S.C, Guss, J.M. | Deposit date: | 2005-07-19 | Release date: | 2006-01-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Kinetic and Crystallographic Analysis of Mutant Escherichia Coli Aminopeptidase P: Insights Into Substrate Recognition and the Mechanism of Catalysis. Biochemistry, 45, 2006
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2C23
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![BU of 2c23 by Molmil](/molmil-images/mine/2c23) | 14-3-3 Protein Beta (Human) in complex with exoenzyme S peptide | Descriptor: | 14-3-3 BETA/ALPHA, EXOENZYME S PEPTIDE | Authors: | Elkins, J.M, Schoch, G.A, Yang, X, Sundstrom, M, Arrowsmith, C, Edwards, A, Doyle, D.A. | Deposit date: | 2005-09-26 | Release date: | 2005-09-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family. Proc.Natl.Acad.Sci.USA, 103, 2006
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2BH3
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![BU of 2bh3 by Molmil](/molmil-images/mine/2bh3) | Zn substituted E. coli Aminopeptidase P in complex with product | Descriptor: | CITRATE ANION, LEUCINE, MAGNESIUM ION, ... | Authors: | Graham, S.C, Bond, C.S, Freeman, H.C, Guss, J.M. | Deposit date: | 2005-01-07 | Release date: | 2005-09-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Functional Implications of Metal Ion Selection in Aminopeptidase P, a Metalloprotease with a Dinuclear Metal Center. Biochemistry, 44, 2005
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2C2S
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![BU of 2c2s by Molmil](/molmil-images/mine/2c2s) | Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-(1-o-carboranylmethyl)-6-methylpyrimidine, A novel boron containing, nonclassical Antifolate | Descriptor: | 2,4-DIAMINO-5-(1-O-CARBORANYLMETHYL)-6-METHYLPYRIMIDINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ... | Authors: | Leung, A.K.W, Reynolds, R.C, Riordan, J.M, Borhani, D.W. | Deposit date: | 2005-09-29 | Release date: | 2007-04-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Novel Boron-Containing, Nonclassical Antifolates: Synthesis and Preliminary Biological and Structural Evaluation. J.Med.Chem., 50, 2007
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7KRG
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1NKW
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![BU of 1nkw by Molmil](/molmil-images/mine/1nkw) | Crystal Structure Of The Large Ribosomal Subunit From Deinococcus Radiodurans | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L11, 50S ribosomal protein L13, ... | Authors: | Harms, J.M, Schluenzen, F, Zarivach, R, Bashan, A, Gat, S, Agmon, I, Bartels, H, Franceschi, F, Yonath, A. | Deposit date: | 2003-01-05 | Release date: | 2003-02-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | High resolution structure of the large ribosomal subunit from a mesophilic eubacterium Cell(Cambridge,Mass.), 107, 2001
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