4DCA
 
 | | Crystal structure of aminoglycoside phosphotransferase APH(2'')-Ib, ADP-bound | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aminoglycoside phosphotransferase, MAGNESIUM ION | | Authors: | Stogios, P.J, Minasov, G, Singer, A.U, Tan, K, Nocek, B, Evdokimova, E, Egorova, O, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-01-17 | | Release date: | 2012-02-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of aminoglycoside phosphotransferase APH(2'')-Ib, ADP-bound
TO BE PUBLISHED
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6Y4M
 | | Structure of Tubulin Tyrosine Ligase in Complex with Tb111 | | Descriptor: | (2~{R})-1-methylpiperidine-2-carboxylic acid, (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V. | | Deposit date: | 2020-02-21 | | Release date: | 2021-03-31 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (3.34 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis.
J.Org.Chem., 86, 2021
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6Y4N
 | | Structure of Tubulin Tyrosine Ligase in Complex with Tb116 | | Descriptor: | (2~{R})-1-methylpiperidine-2-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V. | | Deposit date: | 2020-02-21 | | Release date: | 2021-03-31 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.852 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis.
J.Org.Chem., 86, 2021
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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
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4WZ2
 | | Crystal structure of U-box 2 of LubX / LegU2 / Lpp2887 from Legionella pneumophila str. Paris, Ile175Met mutant | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase LubX, HEXANE-1,6-DIOL | | Authors: | Stogios, P.J, Qualie, A.T, Skarina, T, Nocek, B, Di Leo, R, Yim, V, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-11-18 | | Release date: | 2015-01-28 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (3.408 Å) | | Cite: | Molecular Characterization of LubX: Functional Divergence of the U-Box Fold by Legionella pneumophila.
Structure, 23, 2015
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4WZ3
 | | Crystal structure of the complex between LubX/LegU2/Lpp2887 U-box 1 and Homo sapiens UBE2D2 | | Descriptor: | E3 ubiquitin-protein ligase LubX, Ubiquitin-conjugating enzyme E2 D2 | | Authors: | Stogios, P.J, Quaile, A.T, Skarina, T, Nocek, B, Di Leo, R, Yim, V, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-11-18 | | Release date: | 2015-01-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular Characterization of LubX: Functional Divergence of the U-Box Fold by Legionella pneumophila.
Structure, 23, 2015
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5JD3
 | | Crystal structure of LAE5, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, LAE5, ... | | Authors: | Stogios, P.J, Xu, X, Nocek, B, Cui, H, Yim, V, Martinez-Martinez, M, Alcaide, M, Ferrer, M, Savchenko, A. | | Deposit date: | 2016-04-15 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | To be published
To Be Published
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5BSF
 | | Crystal structure of Medicago truncatula (delta)1-Pyrroline-5-Carboxylate Reductase (MtP5CR) in complex with NAD+ | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Ruszkowski, M, Nocek, B, Forlani, G, Dauter, Z. | | Deposit date: | 2015-06-02 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The structure of Medicago truncatula delta (1)-pyrroline-5-carboxylate reductase provides new insights into regulation of proline biosynthesis in plants.
Front Plant Sci, 6, 2015
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5UMY
 | | Crystal structure of TnmS3 in complex with tiancimycin | | Descriptor: | (1aS,11S,11aR,14Z,18R)-3,8,18-trihydroxy-11a-[(1R)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4H-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10H)-dione, Glyoxalase/bleomycin resisance protein/dioxygenase | | Authors: | Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, SHen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-01-29 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Resistance to Enediyne Antitumor Antibiotics by Sequestration.
Cell Chem Biol, 25, 2018
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5UMQ
 | | Crystal structure of TnmS1, an antibiotic binding protein from Streptomyces sp. CB03234 | | Descriptor: | Glyoxalase/bleomycin resisance protein/dioxygenase | | Authors: | Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-01-29 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Resistance to Enediyne Antitumor Antibiotics by Sequestration.
Cell Chem Biol, 25, 2018
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5UMX
 | | Crystal structure of TnmS3 in complex with riboflavin | | Descriptor: | Glyoxalase/bleomycin resisance protein/dioxygenase, RIBOFLAVIN | | Authors: | Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-01-29 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Resistance to Enediyne Antitumor Antibiotics by Sequestration.
Cell Chem Biol, 25, 2018
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5W27
 | | Crystal structure of TnmS3 in complex with tiancimycin (TNM B) | | Descriptor: | Glyoxalase/bleomycin resisance protein/dioxygenase, methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate | | Authors: | Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, SHen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-06-05 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of TnmS3 in complex with tiancimycin (TNM B)
To Be Published
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5UMP
 | | Crystal structure of TnmS3, an antibiotic binding protein from Streptomyces sp. CB03234 | | Descriptor: | Glyoxalase/bleomycin resisance protein/dioxygenase | | Authors: | Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-01-29 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Resistance to Enediyne Antitumor Antibiotics by Sequestration.
Cell Chem Biol, 25, 2018
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5UMW
 | | Crystal structure of TnmS2, an antibiotic binding protein from Streptomyces sp. CB03234 | | Descriptor: | Glyoxalase/bleomycin resisance protein/dioxygenase, RIBOFLAVIN | | Authors: | Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-01-29 | | Release date: | 2018-07-04 | | Last modified: | 2020-09-23 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Resistance to Enediyne Antitumor Antibiotics by Sequestration.
Cell Chem Biol, 25, 2018
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6BBX
 | | Crystal structure of TnmS3 in complex with TNM C | | Descriptor: | Glyoxalase/bleomycin resisance protein/dioxygenase, methyl (2R,3R)-2,3-dihydroxy-3-[(1aS,11S,11aR,14Z,18R)-3,7,8,18-tetrahydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]butanoate | | Authors: | Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-10-19 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Resistance to Enediyne Antitumor Antibiotics by Sequestration.
Cell Chem Biol, 25, 2018
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2R5R
 | | The crystal structure of DUF198 from Nitrosomonas europaea ATCC 19718 | | Descriptor: | IMIDAZOLE, PHOSPHATE ION, UPF0343 protein NE1163 | | Authors: | Tan, K, Wu, R, Nocek, B, Bigelow, L, Patterson, S, Freeman, L, Bargassa, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-09-04 | | Release date: | 2007-09-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | The crystal structure of DUF198 from Nitrosomonas europaea ATCC 19718.
To be Published
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2R4Q
 | | The structure of a domain of fruA from Bacillus subtilis | | Descriptor: | Phosphotransferase system (PTS) fructose-specific enzyme IIABC component | | Authors: | Cuff, M.E, Sather, A, Nocek, B, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-08-31 | | Release date: | 2007-09-18 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structure of a domain of fruA from Bacillus subtilis.
TO BE PUBLISHED
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2C3C
 | | 2.01 Angstrom X-ray crystal structure of a mixed disulfide between coenzyme M and NADPH-dependent oxidoreductase 2-ketopropyl coenzyme M carboxylase | | Descriptor: | 1-THIOETHANESULFONIC ACID, 2-OXOPROPYL-COM REDUCTASE, ACETONE, ... | | Authors: | Pandey, A.S, Nocek, B, Clark, D.D, Ensign, S.A, Peters, J.W. | | Deposit date: | 2005-10-05 | | Release date: | 2005-12-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Mechanistic Implications of the Structure of the Mixed-Disulfide Intermediate of the Disulfide Oxidoreductase, 2-Ketopropyl-Coenzyme M Oxidoreductase/Carboxylase.
Biochemistry, 45, 2006
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2C3D
 | | 2.15 Angstrom crystal structure of 2-ketopropyl coenzyme M oxidoreductase carboxylase with a coenzyme M disulfide bound at the active site | | Descriptor: | 1-THIOETHANESULFONIC ACID, 2-OXOPROPYL-COM REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Pandey, A.S, Nocek, B, Clark, D.D, Ensign, S.A, Peters, J.W. | | Deposit date: | 2005-10-05 | | Release date: | 2005-11-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Mechanistic Implications of the Structure of the Mixed-Disulfide Intermediate of the Disulfide Oxidoreductase, 2-Ketopropyl-Coenzyme M Oxidoreductase/Carboxylase.
Biochemistry, 45, 2006
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2ESH
 | | Crystal Structure of Conserved Protein of Unknown Function TM0937- a Potential Transcriptional Factor | | Descriptor: | CALCIUM ION, conserved hypothetical protein TM0937 | | Authors: | Liu, Y, Bochkareva, E, Zheng, H, Xu, X, Nocek, B, Lunin, V, Edward, A, Pai, E.F, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-10-26 | | Release date: | 2005-12-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Conserved Hypothetical Protein TM0937
To be Published
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3CZQ
 | | Crystal structure of putative polyphosphate kinase 2 from Sinorhizobium meliloti | | Descriptor: | FORMIC ACID, GLYCEROL, Putative polyphosphate kinase 2 | | Authors: | Osipiuk, J, Evdokimova, E, Nocek, B, Kudritska, M, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-04-29 | | Release date: | 2008-07-01 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Polyphosphate-dependent synthesis of ATP and ADP by the family-2 polyphosphate kinases in bacteria.
Proc.Natl.Acad.Sci.USA, 105, 2008
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4DBX
 | | Crystal structure of aminoglycoside phosphotransferase APH(2")-ID/APH(2")-IVA | | Descriptor: | APH(2")-ID | | Authors: | Stogios, P.J, Minasov, G, Tan, K, Nocek, B, Singer, A.U, Evdokimova, E, Egorova, E, Di Leo, R, Li, H, Shakya, T, Wright, G.D, Savchenko, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-01-16 | | Release date: | 2012-02-01 | | Last modified: | 2012-04-25 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | A small molecule discrimination map of the antibiotic resistance kinome.
Chem.Biol., 18, 2011
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4DE4
 | | Crystal structure of aminoglycoside phosphotransferase APH(2")-Id/APH(2")-IVa in complex with HEPES | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, APH(2")-Id | | Authors: | Stogios, P.J, Minasov, G, Tan, K, Nocek, B, Evdokimova, E, Egorova, O, Di Leo, R, Li, H, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-01-19 | | Release date: | 2012-02-08 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A small molecule discrimination map of the antibiotic resistance kinome.
Chem.Biol., 18, 2011
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5D8M
 | | Crystal structure of the metagenomic carboxyl esterase MGS0156 | | Descriptor: | Metagenomic carboxyl esterase MGS0156 | | Authors: | Cui, H, Nocek, B, Tchigvintsev, A, Popovic, A, Savchenko, A, Joachimiak, A, Yakunin, A. | | Deposit date: | 2015-08-17 | | Release date: | 2016-10-05 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of esterase (MGS0156)
To Be Published
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4IYL
 | | 30S ribosomal protein S15 from Campylobacter jejuni | | Descriptor: | 30S ribosomal protein S15 | | Authors: | Osipiuk, J, Nocek, B, Gu, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-01-28 | | Release date: | 2013-02-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | 30S ribosomal protein S15 from Campylobacter jejuni
To be Published
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