7DCZ
 
 | | Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-4H-1,3-thiazin-4-yl]-4- fluorophenyl}-5-cyanopyridine-2-carboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Koriyama, Y, Hori, A, Ito, H, Yonezawa, S, Baba, Y, Tanimoto, N, Ueno, T, Yamamoto, S, Yamamoto, T, Asada, N, Morimoto, K, Einaru, S, Sakai, K, Kanazu, T, Matsuda, A, Yamaguchi, Y, Oguma, T, Timmers, M, Tritsmans, L, Kusakabe, K.I, Kato, A, Sakaguchi, G. | | Deposit date: | 2020-10-27 | | Release date: | 2021-03-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Atabecestat (JNJ-54861911): A Thiazine-Based beta-Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor Advanced to the Phase 2b/3 EARLY Clinical Trial.
J.Med.Chem., 64, 2021
|
|
4PTC
 | | Structure of a carboxamide compound (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) to GSK3b | | Descriptor: | 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | | Deposit date: | 2014-03-10 | | Release date: | 2015-04-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.711 Å) | | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
4PTE
 | | Structure of a carvoxamide compound (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) to GSK3b | | Descriptor: | Glycogen synthase kinase-3 beta, N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide | | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | | Deposit date: | 2014-03-10 | | Release date: | 2015-04-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.033 Å) | | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
4PTG
 | | Structure of a carboxamine compound (26) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-METHOXYPYRIMIDINE-5-CARBOXAMIDE) to GSK3b | | Descriptor: | 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | | Deposit date: | 2014-03-10 | | Release date: | 2015-04-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.361 Å) | | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
2IQY
 | | Rat Phosphatidylethanolamine-Binding Protein | | Descriptor: | CALCIUM ION, CHLORIDE ION, Phosphatidylethanolamine-binding protein 1 | | Authors: | Kim, Y, Joachimiak, G, Heil, G.L, Koide, S, Joachimiak, A. | | Deposit date: | 2006-10-14 | | Release date: | 2007-09-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structure of Rat Phosphatidylethanolamine-Binding Protein
To be Published
|
|
2IQX
 | | Rat Phosphatidylethanolamine-Binding Protein Containing the S153E Mutation in the Complex with o-Phosphorylethanolamine | | Descriptor: | PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Phosphatidylethanolamine-binding protein 1 | | Authors: | Kim, Y, Joachimiak, G, Clark, M.C, Rosner, M, Joachimiak, A. | | Deposit date: | 2006-10-14 | | Release date: | 2007-09-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rat Phosphatidylethanolamine-Binding Crystal structure of Protein Containing the S153E Mutation in the Complex with o-Phosphorylethanolamine
To be Published
|
|
6W08
 | | Crystal Structure of Motility Associated Killing Factor E from Vibrio cholerae | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Kim, Y, Jedrzejczak, R, Joachimiak, G, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-02-29 | | Release date: | 2020-03-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A Genomic Island of Vibrio cholerae Encodes a Three-Component Cytotoxin with Monomer and Protomer Forms Structurally Similar to Alpha-Pore-Forming Toxins.
J.Bacteriol., 204, 2022
|
|
5IX8
 | | Crystal structure of sugar ABC transport system, substrate-binding protein from Bordetella parapertussis 12822 | | Descriptor: | 1,2-ETHANEDIOL, Putative sugar ABC transport system, substrate-binding protein, ... | | Authors: | Chang, C, Cuff, M, Joachimiak, G, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2016-03-23 | | Release date: | 2016-04-06 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of sugar ABC transport system, substrate-binding protein from Bordetella parapertussis 12822
To Be Published
|
|
6B6L
 | | The crystal structure of glycosyl hydrolase family 2 (GH2) member from Bacteroides cellulosilyticus DSM 14838 | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Glycosyl hydrolase family 2, ... | | Authors: | Tan, K, Joachimiak, G, Nocek, B, Enddres, M, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-10-02 | | Release date: | 2017-10-11 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of glycosyl hydrolase family 2 (GH2) member from Bacteroides cellulosilyticus DSM 14838
To Be Published
|
|
4J01
 | | Crystal Structure of Fischerella Transcription Factor HetR complexed with 29mer DNA target | | Descriptor: | DNA (29-MER), SULFATE ION, Transcription Factor HetR | | Authors: | Kim, Y, Joachimiak, G, Gornicki, P, Joachimiak, A, MCSG, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-01-30 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.246 Å) | | Cite: | Structures of complexes comprised of Fischerella transcription factor HetR with Anabaena DNA targets.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4RGR
 | | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, GLYCEROL, Repressor protein, ... | | Authors: | Kim, Y, Joachimiak, G, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-09-30 | | Release date: | 2015-03-04 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP
To be Published, 2014
|
|
4RGS
 | | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with Vanilin | | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, GLYCEROL, Repressor protein, ... | | Authors: | Kim, Y, Joachimiak, G, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-09-30 | | Release date: | 2015-03-04 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.298 Å) | | Cite: | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with Vanilin
To be Published, 2014
|
|
4RGU
 | | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with ferulic acid | | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, CHLORIDE ION, GLYCEROL, ... | | Authors: | Kim, Y, Joachimiak, G, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-09-30 | | Release date: | 2015-03-04 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.891 Å) | | Cite: | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with ferulic acid
To be Published, 2014
|
|
4RGX
 | | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with 3,4-dihydroxy bezoic acid | | Descriptor: | 1,2-ETHANEDIOL, 3,4-DIHYDROXYBENZOIC ACID, CHLORIDE ION, ... | | Authors: | Kim, Y, Joachimiak, G, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-09-30 | | Release date: | 2015-03-04 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with 3,4-dihydroxy bezoic acid
To be Published, 2014
|
|
5KZM
 | | Crystal structure of Tryptophan synthase alpha-beta chain complex from Francisella tularensis | | Descriptor: | ACETATE ION, CALCIUM ION, Tryptophan synthase alpha chain, ... | | Authors: | Chang, C, Michalska, K, Joachimiak, G, Jedrzejczak, R, ANDERSON, W.F, JOACHIMIAK, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-07-25 | | Release date: | 2016-08-10 | | Last modified: | 2019-09-18 | | Method: | X-RAY DIFFRACTION (2.804 Å) | | Cite: | Conservation of the structure and function of bacterial tryptophan synthases.
Iucrj, 6, 2019
|
|
5T87
 | | Crystal structure of CDI complex from Cupriavidus taiwanensis LMG 19424 | | Descriptor: | CdiA toxin, CdiI immunity protein | | Authors: | Michalska, K, Joachimiak, G, Jedrzejczak, R, Hayes, C.S, Goulding, C.W, Joachimiak, A, Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2016-09-06 | | Release date: | 2017-09-13 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Target highlights from the first post-PSI CASP experiment (CASP12, May-August 2016).
Proteins, 86 Suppl 1, 2018
|
|
4Q6W
 | | Crystal Structure of Periplasmic Binding Protein type 1 from Bordetella pertussis Tohama I complexed with 3-Hydroxy Benzoic Acid | | Descriptor: | 1,2-ETHANEDIOL, 3-HYDROXYBENZOIC ACID, GLYCEROL, ... | | Authors: | Kim, Y, Joachimiak, G, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-04-23 | | Release date: | 2014-07-02 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal Structure of Periplasmic Binding Protein type 1 from Bordetella pertussis Tohama I complexed with 3-Hydroxy Benzoic Acid
To be Published, 2014
|
|
4Q2B
 | | The crystal structure of an endo-1,4-D-glucanase from Pseudomonas putida KT2440 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-D-glucanase, FORMIC ACID, ... | | Authors: | Tan, K, Joachimiak, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-04-07 | | Release date: | 2014-06-25 | | Last modified: | 2015-04-29 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | The crystal structure of an endo-1,4-D-glucanase from Pseudomonas putida KT2440
To be Published
|
|
4EDH
 | | The crystal structure of thymidylate kinase from Pseudomonas aeruginosa PAO1 in complex with ADP,TMP and Mg. | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Tan, K, Joachimiak, G, Jedrzejczak, R, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2012-03-27 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | The crystal structure of thymidylate kinase from Pseudomonas aeruginosa PAO1 in complex with ADP,TMP and Mg.
To be Published
|
|
1P99
 | | 1.7A crystal structure of protein PG110 from Staphylococcus aureus | | Descriptor: | GLYCINE, Hypothetical protein PG110, METHIONINE | | Authors: | Zhang, R, Zhou, M, Joachimiak, G, Schneewind, O, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2003-05-09 | | Release date: | 2004-01-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The membrane-associated lipoprotein-9 GmpC from Staphylococcus aureus binds the dipeptide GlyMet via side chain interactions.
Biochemistry, 43, 2004
|
|
6NIO
 | | Crystal Structure of the Molybdate Transporter Periplasmic Protein ModA from Yersinia pestis | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ACETIC ACID, FORMIC ACID, ... | | Authors: | Kim, Y, Joachimiak, G, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-12-31 | | Release date: | 2019-01-16 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Crystal Structure of the Molybdate Transporter Periplasmic Protein ModA from Yersinia pestis
To Be Published
|
|
7RSK
 | | The crystal structure from microfluidic crystals of glycosyl hydrolase family 2 (GH2) member from Bacteroides cellulosilyticus | | Descriptor: | Glycosyl hydrolase family 2, sugar binding domain protein | | Authors: | Kim, Y, Nocek, B, Endres, M, Joachimiak, G, Johnson, J, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2021-08-11 | | Release date: | 2021-08-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structure from microfluidic crystals of glycosyl hydrolase family 2 (GH2) member from Bacteroides cellulosilyticus
To Be Published
|
|
5AEP
 | | Novel pyrrole carboxamide inhibitors of JAK2 as potential treatment of myeloproliferative disorders | | Descriptor: | 1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-pyrrole-2-carboxamide, TYROSINE-PROTEIN KINASE JAK2 | | Authors: | Canevari, G, Bertrand, J, Brasca, M.G, Nesi, M, Amboldi, N, Avanzi, N, Bindi, S, Casero, D, Ciomei, M, Colombo, N, Cribioli, S, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Motto, I, Panzeri, A, Gnocchi, P, Donati, D. | | Deposit date: | 2015-01-08 | | Release date: | 2015-04-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Novel Pyrrole Carboxamide Inhibitors of Jak2 as Potential Treatment of Myeloproliferative Disorders.
Bioorg.Med.Chem., 23, 2015
|
|
4KJM
 | | Crystal structure of the Staphylococcus aureus protein (NP_646141.1, domain 3912-4037) similar to streptococcal adhesins emb and ebhA/ebhB | | Descriptor: | ACETATE ION, CHLORIDE ION, Extracellular matrix-binding protein ebh, ... | | Authors: | Cymborowski, M, Shabalin, I.G, Joachimiak, G, Chruszcz, M, Gornicki, P, Zhang, R, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-05-03 | | Release date: | 2013-05-29 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the Staphylococcus aureus protein (NP_646141.1, domain 3912-4037) similar to streptococcal adhesins emb and ebhA/ebhB
To be Published
|
|
5BMZ
 | | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with 24mer DNA. | | Descriptor: | DNA (5'-D(P*GP*AP*AP*TP*AP*TP*CP*AP*GP*TP*TP*AP*AP*AP*CP*TP*GP*AP*TP*AP*TP*TP*C)-3'), HcaR protein | | Authors: | Kim, Y, Joachimiak, G, Biglow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-05-25 | | Release date: | 2015-10-14 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with 24mer DNA.
To Be Published
|
|
