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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
