7BFT
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7BFV
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![BU of 7bfv by Molmil](/molmil-images/mine/7bfv) | Thermogutta terrifontis esterase 2 phosphonylated by cyclosarin | Descriptor: | Esterase, PHOSPHATE ION, SODIUM ION | Authors: | Brazzolotto, X.B, Bzdrenga, J, Nachon, F. | Deposit date: | 2021-01-04 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study. Molecules, 26, 2021
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4YMJ
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![BU of 4ymj by Molmil](/molmil-images/mine/4ymj) | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | Descriptor: | 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ... | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | Deposit date: | 2015-03-06 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
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4YPS
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![BU of 4yps by Molmil](/molmil-images/mine/4yps) | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | Descriptor: | 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | Deposit date: | 2015-03-13 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1012 Å) | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
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4YNE
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![BU of 4yne by Molmil](/molmil-images/mine/4yne) | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | Descriptor: | 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ... | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | Deposit date: | 2015-03-09 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.0229 Å) | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
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2XOD
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![BU of 2xod by Molmil](/molmil-images/mine/2xod) | Crystal structure of flavoprotein NrdI from Bacillus anthracis in the oxidised form | Descriptor: | CACODYLATE ION, FLAVIN MONONUCLEOTIDE, NRDI PROTEIN, ... | Authors: | Johansson, R, Sprenger, J, Torrents, E, Sahlin, M, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2010-08-14 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | High Resolution Crystal Structures of Nrdi in the Oxidised and Reduced States: An Unusual Flavodoxin FEBS J., 277, 2010
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2XOE
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![BU of 2xoe by Molmil](/molmil-images/mine/2xoe) | Crystal structure of flavoprotein NrdI from Bacillus anthracis in the semiquinone form | Descriptor: | ACETATE ION, CACODYLATE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Johansson, R, Sprenger, J, Torrents, E, Sahlin, M, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2010-08-14 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High Resolution Crystal Structures of Nrdi in the Oxidised and Reduced States: An Unusual Flavodoxin FEBS J., 277, 2010
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5UGQ
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![BU of 5ugq by Molmil](/molmil-images/mine/5ugq) | Crystal Structure of Hip1 (Rv2224c) | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2017-01-09 | Release date: | 2017-04-12 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.609 Å) | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c). Biochemistry, 56, 2017
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5UOH
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![BU of 5uoh by Molmil](/molmil-images/mine/5uoh) | Crystal Structure of Hip1 (Rv2224c) T466A mutant | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Baikovitz, J, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2017-01-31 | Release date: | 2017-04-12 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.609 Å) | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c). Biochemistry, 56, 2017
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4A38
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![BU of 4a38 by Molmil](/molmil-images/mine/4a38) | METALLO-CARBOXYPEPTIDASE FROM PSEUDOMONAS AUREGINOSA IN COMPLEX WITH L-BENZYLSUCCINIC ACID | Descriptor: | L-BENZYLSUCCINIC ACID, METALLO-CARBOXYPEPTIDASE, ZINC ION | Authors: | Otero, A, Rodriguez de la Vega, M, Tanco, S.M, Lorenzo, J, Aviles, F.X, Reverter, D. | Deposit date: | 2011-09-30 | Release date: | 2012-05-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Novel Structure of a Cytosolic M14 Metallocarboxypeptidase (Ccp) from Pseudomonas Aeruginosa: A Model for Mammalian Ccps. Faseb J., 26, 2012
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5UNO
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![BU of 5uno by Molmil](/molmil-images/mine/5uno) | Crystal Structure of Hip1 (Rv2224c) | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2017-01-31 | Release date: | 2017-04-12 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c). Biochemistry, 56, 2017
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1ABS
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![BU of 1abs by Molmil](/molmil-images/mine/1abs) | PHOTOLYSED CARBONMONOXY-MYOGLOBIN AT 20 K | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Schlichting, I, Berendzen, J, Phillips Jr, G.N, Sweet, R.M. | Deposit date: | 1997-01-28 | Release date: | 1997-04-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of photolysed carbonmonoxy-myoglobin. Nature, 371, 1994
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9EUN
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![BU of 9eun by Molmil](/molmil-images/mine/9eun) | SARS-CoV-2 nsp10-16 methyltransferase in complex with SAM and m7GTP | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S. | Deposit date: | 2024-03-27 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development To Be Published
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9EMV
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![BU of 9emv by Molmil](/molmil-images/mine/9emv) | SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog) | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S. | Deposit date: | 2024-03-11 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development To Be Published
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1BIC
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![BU of 1bic by Molmil](/molmil-images/mine/1bic) | CRYSTALLOGRAPHIC ANALYSIS OF THR-200-> HIS HUMAN CARBONIC ANHYDRASE II AND ITS COMPLEX WITH THE SUBSTRATE, HCO3- | Descriptor: | BICARBONATE ION, CARBONIC ANHYDRASE II, METHYL MERCURY ION, ... | Authors: | Xue, Y, Vidgren, J, Svensson, L.A, Liljas, A, Jonsson, B.-H, Lindskog, S. | Deposit date: | 1992-09-01 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic analysis of Thr-200-->His human carbonic anhydrase II and its complex with the substrate, HCO3-. Proteins, 15, 1993
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9EMJ
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![BU of 9emj by Molmil](/molmil-images/mine/9emj) | SARS-CoV-2 methyltransferase nsp10-16 in complex with Toyocamycin and m7GpppA (Cap0-analog) | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ... | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A. | Deposit date: | 2024-03-08 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development To Be Published
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9EML
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![BU of 9eml by Molmil](/molmil-images/mine/9eml) | SARS-CoV-2 methyltransferase nsp10-16 in complex with SAM and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog) | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A. | Deposit date: | 2024-03-08 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development To Be Published
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4A39
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![BU of 4a39 by Molmil](/molmil-images/mine/4a39) | Metallo-carboxypeptidase from Pseudomonas Aeruginosa in complex with (2-guanidinoethylmercapto)succinic acid | Descriptor: | (2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACID, METALLO-CARBOXYPEPTIDASE, ZINC ION | Authors: | Otero, A, Rodriguez de la Vega, M, Tanco, S.M, Lorenzo, J, Aviles, F.X, Reverter, D. | Deposit date: | 2011-09-30 | Release date: | 2012-05-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Novel Structure of a Cytosolic M14 Metallocarboxypeptidase (Ccp) from Pseudomonas Aeruginosa: A Model for Mammalian Ccps. Faseb J., 26, 2012
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5FR2
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![BU of 5fr2 by Molmil](/molmil-images/mine/5fr2) | Farnesylated RhoA-GDP in complex with RhoGDI-alpha, lysine acetylated at K178 | Descriptor: | FARNESYL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Kuhlmann, N, Wroblowski, S, Knyphausen, P, de Boor, S, Brenig, J, Zienert, A.Y, Meyer-Teschendorf, K, Praefcke, G.J.K, Nolte, H, Krueger, M, Schacherl, M, Baumann, U, James, L.C, Chin, J.W, Lammers, M. | Deposit date: | 2015-12-15 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Structural and Mechanistic Insights Into the Regulation of the Fundamental Rho-Regulator Rhogdi Alpha by Lysine Acetylation. J.Biol.Chem., 291, 2016
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1JE4
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4A37
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![BU of 4a37 by Molmil](/molmil-images/mine/4a37) | Metallo-carboxypeptidase from Pseudomonas Aeruginosa | Descriptor: | METALLO-CARBOXYPEPTIDASE, ZINC ION | Authors: | Otero, A, Rodriguez de la Vega, M, Tanco, S.M, Lorenzo, J, Aviles, F.X, Reverter, D. | Deposit date: | 2011-09-30 | Release date: | 2012-05-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Novel Structure of a Cytosolic M14 Metallocarboxypeptidase (Ccp) from Pseudomonas Aeruginosa: A Model for Mammalian Ccps. Faseb J., 26, 2012
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5AQ0
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![BU of 5aq0 by Molmil](/molmil-images/mine/5aq0) | The structure of the Transthyretin-like domain of the first catalytic domain of the HUMAN Carboxypeptidase D | Descriptor: | CARBOXYPEPTIDASE D, GLYCEROL | Authors: | Gallego, P, Garcia-Pardo, J, Lorenzo, J, Aviles, F.X, Ventura, S, Reverter, D. | Deposit date: | 2015-09-18 | Release date: | 2016-09-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | The Structure of the Ttldomain of the Human Carboxypeptidase D To be Published
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3P2P
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![BU of 3p2p by Molmil](/molmil-images/mine/3p2p) | ENHANCED ACTIVITY AND ALTERED SPECIFICITY OF PHOSPHOLIPASE A2 BY DELETION OF A SURFACE LOOP | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Dijkstra, B.W, Thunnissen, M.M.G.M, Kalk, K.H, Drenth, J. | Deposit date: | 1989-11-29 | Release date: | 1990-01-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Enhanced activity and altered specificity of phospholipase A2 by deletion of a surface loop. Science, 244, 1989
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4ZZN
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![BU of 4zzn by Molmil](/molmil-images/mine/4zzn) | Human ERK2 in complex with an inhibitor | Descriptor: | 2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-N-methyl-benzamide, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION | Authors: | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | Deposit date: | 2015-04-10 | Release date: | 2015-05-27 | Last modified: | 2015-08-26 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2. J.Med.Chem., 58, 2015
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4ZZM
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![BU of 4zzm by Molmil](/molmil-images/mine/4zzm) | Human ERK2 in complex with an irreversible inhibitor | Descriptor: | 7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION | Authors: | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | Deposit date: | 2015-04-10 | Release date: | 2015-05-27 | Last modified: | 2015-08-26 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2. J.Med.Chem., 58, 2015
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