4XS5
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![BU of 4xs5 by Molmil](/molmil-images/mine/4xs5) | Crystal structure of Sulfate transporter/antisigma-factor antagonist STAS from Dyadobacter fermentans DSM 18053 | Descriptor: | Sulfate transporter/antisigma-factor antagonist STAS | Authors: | Chang, C, Cuff, M, Chhor, G, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-01-21 | Release date: | 2015-02-11 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of Sulfate transporter/antisigma-factor antagonist STAS from Dyadobacter fermentans DSM 18053 To Be Published
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5EI2
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![BU of 5ei2 by Molmil](/molmil-images/mine/5ei2) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | Dual specificity protein kinase TTK, ~{N}-(2,4-dimethoxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-29 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
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4YCS
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![BU of 4ycs by Molmil](/molmil-images/mine/4ycs) | Crystal structure of putative lipoprotein from Peptoclostridium difficile 630 (fragment) | Descriptor: | ACETATE ION, GLYCEROL, SODIUM ION, ... | Authors: | Michalska, K, Wu, R, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-02-20 | Release date: | 2015-03-18 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structure of putative lipoprotein from Peptoclostridium difficile 630 (fragment) To Be Published
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4YE5
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![BU of 4ye5 by Molmil](/molmil-images/mine/4ye5) | The crystal structure of a peptidoglycan synthetase from Bifidobacterium adolescentis ATCC 15703 | Descriptor: | ACETATE ION, GLYCEROL, Peptidoglycan synthetase penicillin-binding protein 3 | Authors: | Cuff, M, Tan, K, Joachimiak, G, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-02-23 | Release date: | 2015-03-18 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | The crystal structure of a peptidoglycan synthetase from Bifidobacterium adolescentis ATCC 15703 To Be Published
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5EI6
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![BU of 5ei6 by Molmil](/molmil-images/mine/5ei6) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}-(2,4-dimethoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-29 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
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5EHY
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![BU of 5ehy by Molmil](/molmil-images/mine/5ehy) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 4-(furan-3-yl)-3-phenyl-2~{H}-pyrazolo[4,3-c]pyridine, ... | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-29 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
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5EI8
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![BU of 5ei8 by Molmil](/molmil-images/mine/5ei8) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-29 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
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5EHO
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![BU of 5eho by Molmil](/molmil-images/mine/5eho) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}8-cyclohexyl-~{N}2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-28 | Release date: | 2016-11-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach To Be Published
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5EHL
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![BU of 5ehl by Molmil](/molmil-images/mine/5ehl) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, Dual specificity protein kinase TTK | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-28 | Release date: | 2016-11-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach To Be Published
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6F6R
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![BU of 6f6r by Molmil](/molmil-images/mine/6f6r) | Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide | Descriptor: | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION | Authors: | Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F. | Deposit date: | 2017-12-06 | Release date: | 2018-05-02 | Last modified: | 2018-05-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne. J. Med. Chem., 61, 2018
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5E7F
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![BU of 5e7f by Molmil](/molmil-images/mine/5e7f) | Complex between lactococcal phage Tuc2009 RBP head domain and a nanobody (L06) | Descriptor: | Major structural protein 1, nanobody L06 | Authors: | Legrand, P, Collins, B, Blangy, S, Murphy, J, Spinelli, S, Gutierrez, C, Richet, N, Kellenberger, C, Desmyter, A, Mahony, J, van Sinderen, D, Cambillau, C. | Deposit date: | 2015-10-12 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Atomic Structure of the Phage Tuc2009 Baseplate Tripod Suggests that Host Recognition Involves Two Different Carbohydrate Binding Modules. Mbio, 7, 2016
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5E7T
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![BU of 5e7t by Molmil](/molmil-images/mine/5e7t) | Structure of the tripod (BppUct-A-L) from the baseplate of bacteriophage Tuc2009 | Descriptor: | CALCIUM ION, Major structural protein 1, Minor structural protein 4, ... | Authors: | Legrand, P, Collins, B, Blangy, S, Murphy, J, Spinelli, S, Gutierrez, C, Richet, N, Kellenberger, C, Desmyter, A, Mahony, J, van Sinderen, D, Cambillau, C. | Deposit date: | 2015-10-13 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Atomic Structure of the Phage Tuc2009 Baseplate Tripod Suggests that Host Recognition Involves Two Different Carbohydrate Binding Modules. Mbio, 7, 2016
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5E7B
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![BU of 5e7b by Molmil](/molmil-images/mine/5e7b) | Structure of a nanobody (vHH) from camel against phage Tuc2009 RBP (BppL, ORF53) | Descriptor: | nanobody nano-L06 | Authors: | Legrand, P, Collins, B, Blangy, S, Murphy, J, Spinelli, S, Gutierrez, C, Richet, N, Kellenberger, C, Desmyter, A, Mahony, J, van Sinderen, D, Cambillau, C. | Deposit date: | 2015-10-12 | Release date: | 2015-12-30 | Last modified: | 2016-05-04 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The Atomic Structure of the Phage Tuc2009 Baseplate Tripod Suggests that Host Recognition Involves Two Different Carbohydrate Binding Modules. Mbio, 7, 2016
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7A0E
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![BU of 7a0e by Molmil](/molmil-images/mine/7a0e) | The Crystal Structure of Bovine Thrombin in complex with Hirudin (C6U/C14U) at 1.9 Angstroms Resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ... | Authors: | Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G. | Deposit date: | 2020-08-07 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Diselenide crosslinks for enhanced and simplified oxidative protein folding Commun Chem, 4, 2021
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7A0D
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![BU of 7a0d by Molmil](/molmil-images/mine/7a0d) | The Crystal Structure of Bovine Thrombin in complex with Hirudin (C16U/C28U) at 1.6 Angstroms Resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ... | Authors: | Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G. | Deposit date: | 2020-08-07 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Diselenide crosslinks for enhanced and simplified oxidative protein folding Commun Chem, 4, 2021
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7A0F
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![BU of 7a0f by Molmil](/molmil-images/mine/7a0f) | The Crystal Structure of Bovine Thrombin in complex with Hirudin (C22U/C39U) at 2.7 Angstroms Resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ... | Authors: | Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G. | Deposit date: | 2020-08-07 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Diselenide crosslinks for enhanced and simplified oxidative protein folding Commun Chem, 4, 2021
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2JQ6
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![BU of 2jq6 by Molmil](/molmil-images/mine/2jq6) | Structure of EH-domain of EHD1 | Descriptor: | CALCIUM ION, EH domain-containing protein 1 | Authors: | Kieken, F.P, Jovic, M, Caplan, S, Sorgen, P.L. | Deposit date: | 2007-05-29 | Release date: | 2008-04-15 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | EH domain of EHD1 J.Biomol.Nmr, 39, 2007
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2KFF
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![BU of 2kff by Molmil](/molmil-images/mine/2kff) | Structure of the C-terminal domain of EHD1 with FNYESTNPFTAK | Descriptor: | CALCIUM ION, EH domain-containing protein 1, Rab11-FIP2 NPF peptide FNYESTNPFTAK | Authors: | Kieken, F, Jovic, M, Tonelli, M, Naslavsky, N, Caplan, S, Sorgen, P. | Deposit date: | 2009-02-20 | Release date: | 2009-12-22 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural insight into the interaction of proteins containing NPF, DPF, and GPF motifs with the C-terminal EH-domain of EHD1. Protein Sci., 18, 2009
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2NPN
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![BU of 2npn by Molmil](/molmil-images/mine/2npn) | Crystal structure of putative cobalamin synthesis related protein (CobF) from Corynebacterium diphtheriae | Descriptor: | GLYCEROL, MAGNESIUM ION, Putative cobalamin synthesis related protein, ... | Authors: | Nocek, B, Zhou, M, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-10-27 | Release date: | 2006-11-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of cobalamin synthesis related protein (CobF) from Corynebacterium diphtheriae To be Published
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2O3H
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![BU of 2o3h by Molmil](/molmil-images/mine/2o3h) | Crystal structure of the human C65A Ape | Descriptor: | ACETATE ION, DNA-(apurinic or apyrimidinic site) lyase, SAMARIUM (III) ION | Authors: | Georgiadis, M.M, Gaur, R.K, Delaplane, S, Svenson, J. | Deposit date: | 2006-12-01 | Release date: | 2007-12-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Evolution of the redox function in mammalian apurinic/apyrimidinic endonuclease Mutat.Res., 643, 2008
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2KSP
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![BU of 2ksp by Molmil](/molmil-images/mine/2ksp) | Mechanism for the selective interaction of C-terminal EH-domain proteins with specific NPF-containing partners | Descriptor: | CALCIUM ION, EH domain-containing protein 1, MICAL L1 like peptide | Authors: | Kieken, F, Sharma, M, Jovic, M, Giridharan, S.S, Naslavsky, N, Caplan, S, Sorgen, P.L. | Deposit date: | 2010-01-11 | Release date: | 2010-01-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Mechanism for the selective interaction of C-terminal Eps15 homology domain proteins with specific Asn-Pro-Phe-containing partners. J.Biol.Chem., 285, 2010
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2KFH
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![BU of 2kfh by Molmil](/molmil-images/mine/2kfh) | Structure of the C-terminal domain of EHD1 with FNYESTGPFTAK | Descriptor: | CALCIUM ION, EH domain-containing protein 1, Rab11-FIP2 GPF peptide FNYESTGPFTAK | Authors: | Kieken, F, Jovic, M, Tonelli, M, Naslavsky, N, Caplan, S, Sorgen, P. | Deposit date: | 2009-02-20 | Release date: | 2009-12-22 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural insight into the interaction of proteins containing NPF, DPF, and GPF motifs with the C-terminal EH-domain of EHD1. Protein Sci., 18, 2009
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2KFG
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![BU of 2kfg by Molmil](/molmil-images/mine/2kfg) | Structure of the C-terminal domain of EHD1 in complex with FNYESTDPFTAK | Descriptor: | CALCIUM ION, EH domain-containing protein 1, Rab11-FIP2 DPF peptide FNYESTDPFTAK | Authors: | Kieken, F, Jovic, M, Tonelli, M, Naslavsky, N, Caplan, S, Sorgen, P. | Deposit date: | 2009-02-20 | Release date: | 2009-12-22 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural insight into the interaction of proteins containing NPF, DPF, and GPF motifs with the C-terminal EH-domain of EHD1. Protein Sci., 18, 2009
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2O3C
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![BU of 2o3c by Molmil](/molmil-images/mine/2o3c) | Crystal structure of zebrafish Ape | Descriptor: | APEX nuclease 1, LEAD (II) ION | Authors: | Georgiadis, M.M, Gaur, R.K, Delaplane, S, Svenson, J. | Deposit date: | 2006-12-01 | Release date: | 2007-12-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Evolution of the redox function in mammalian apurinic/apyrimidinic endonuclease Mutat.Res., 643, 2008
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3EXN
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![BU of 3exn by Molmil](/molmil-images/mine/3exn) | Crystal structure of acetyltransferase from Thermus thermophilus HB8 | Descriptor: | ACETYL COENZYME *A, CHLORIDE ION, Probable acetyltransferase | Authors: | Nocek, B, Hatzos, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-10-16 | Release date: | 2009-01-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of acetyltransferase from Thermus thermophilus HB8 To be Published
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