2QO1
| 2.6 Angstrom Crystal Structure of the Complex Between 11-(decyldithiocarbonyloxy)-undecanoic acid and Mycobacterium Tuberculosis FabH. | Descriptor: | 11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase 3, DECANE-1-THIOL | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | Deposit date: | 2007-07-19 | Release date: | 2008-05-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH Chem.Biol., 15, 2008
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2QO0
| Crystal structure of the complex between the A246F mutant of mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-(decyldithiocarbonyloxy)-undecanoic acid | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, DECANE-1-THIOL | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | Deposit date: | 2007-07-19 | Release date: | 2008-05-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH Chem.Biol., 15, 2008
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2QNX
| Crystal structure of the complex between the mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-[(decyloxycarbonyl)dithio]-undecanoic acid | Descriptor: | 11-MERCAPTOUNDECANOIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase 3, O-DECYL HYDROGEN THIOCARBONATE | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | Deposit date: | 2007-07-19 | Release date: | 2008-05-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH Chem.Biol., 15, 2008
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3OMY
| Crystal structure of the pED208 TraM N-terminal domain | Descriptor: | GLYCEROL, MAGNESIUM ION, Protein traM | Authors: | Wong, J.J.W, Lu, J, Edwards, R.A, Frost, L.S, Mark Glover, J.N. | Deposit date: | 2010-08-27 | Release date: | 2011-05-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis of cooperative DNA recognition by the plasmid conjugation factor, TraM. Nucleic Acids Res., 39, 2011
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3ON0
| Crystal structure of the pED208 TraM-sbmA complex | Descriptor: | Protein traM, sbmA | Authors: | Wong, J.J.W, Lu, J, Edwards, R.A, Frost, L.S, Mark Glover, J.N. | Deposit date: | 2010-08-27 | Release date: | 2011-05-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.874 Å) | Cite: | Structural basis of cooperative DNA recognition by the plasmid conjugation factor, TraM. Nucleic Acids Res., 39, 2011
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5AG3
| Chorismatase mechanisms reveal fundamentally different types of reaction in a single conserved protein fold | Descriptor: | 3-(2-CARBOXYETHYL)BENZOIC ACID, DI(HYDROXYETHYL)ETHER, PUTATIVE PTERIDINE-DEPENDENT DIOXYGENASE, ... | Authors: | Hubrich, F, Juneja, P, Mueller, M, Diederichs, K, Welte, W, Andexer, J.N. | Deposit date: | 2015-01-28 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Chorismatase Mechanisms Reveal Fundamentally Different Types of Reaction in a Single Conserved Protein Fold. J.Am.Chem.Soc., 137, 2015
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5D3V
| Crystal Structure of the P-Rex1 PH domain with Citrate Bound | Descriptor: | CITRATE ANION, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein | Authors: | Cash, J.N, Tesmer, J.J.G. | Deposit date: | 2015-08-06 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.852 Å) | Cite: | Structural and Biochemical Characterization of the Catalytic Core of the Metastatic Factor P-Rex1 and Its Regulation by PtdIns(3,4,5)P3. Structure, 24, 2016
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5D3W
| Crystal Structure of the P-Rex1 PH domain with Sulfate Bound | Descriptor: | Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein, SULFATE ION | Authors: | Cash, J.N, Tesmer, J.J.G. | Deposit date: | 2015-08-06 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.852 Å) | Cite: | Structural and Biochemical Characterization of the Catalytic Core of the Metastatic Factor P-Rex1 and Its Regulation by PtdIns(3,4,5)P3. Structure, 24, 2016
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5AF4
| Structure of Lys33-linked diUb | Descriptor: | GLYCEROL, SULFATE ION, UBIQUITIN | Authors: | Michel, M.A, Elliott, P.R, Swatek, K.N, Simicek, M, Pruneda, J.N, Wagstaff, J.L, Freund, S.M.V, Komander, D. | Deposit date: | 2015-01-19 | Release date: | 2015-03-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Assembly and Specific Recognition of K29- and K33-Linked Polyubiquitin. Mol.Cell, 58, 2015
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5D3X
| Crystal Structure of the P-Rex1 PH domain with Inositol-(1,3,4,5)-Tetrakisphosphate Bound | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein | Authors: | Cash, J.N, Tesmer, J.J.G. | Deposit date: | 2015-08-06 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural and Biochemical Characterization of the Catalytic Core of the Metastatic Factor P-Rex1 and Its Regulation by PtdIns(3,4,5)P3. Structure, 24, 2016
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5D3Y
| Crystal Structure of the P-Rex1 PH domain with Inositol-(1,3,4,5)-Tetrakisphosphate Bound | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein | Authors: | Cash, J.N, Tesmer, J.J.G. | Deposit date: | 2015-08-06 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and Biochemical Characterization of the Catalytic Core of the Metastatic Factor P-Rex1 and Its Regulation by PtdIns(3,4,5)P3. Structure, 24, 2016
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5D27
| Crystal Structure of the P-Rex1 PH domain | Descriptor: | NICKEL (II) ION, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein | Authors: | Cash, J.N, Tesmer, J.J.G. | Deposit date: | 2015-08-05 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural and Biochemical Characterization of the Catalytic Core of the Metastatic Factor P-Rex1 and Its Regulation by PtdIns(3,4,5)P3. Structure, 24, 2016
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6T38
| Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BROMIDE ION, CHLORIDE ION, ... | Authors: | Alphey, M.S, Xiao, G, Westwood, J.N. | Deposit date: | 2019-10-10 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design. Bioorg.Med.Chem., 50, 2021
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6WRN
| Crystal structure of Mj 3-nitro-tyrosine tRNA synthetase (5B) C70A variant bound to 3-nitro-tyrosine | Descriptor: | META-NITRO-TYROSINE, SODIUM ION, Tyrosine--tRNA ligase | Authors: | Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B. | Deposit date: | 2020-04-29 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase. J.Mol.Biol., 432, 2020
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6WRQ
| Crystal structure of Mj 3-nitro-tyrosine tRNA synthetase (5B) S158C variant bound to 3-nitro-tyrosine | Descriptor: | GLYCEROL, META-NITRO-TYROSINE, SODIUM ION, ... | Authors: | Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B. | Deposit date: | 2020-04-29 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase. J.Mol.Biol., 432, 2020
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6T37
| Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ... | Authors: | Alphey, M.S, Xiao, G, Westwood, J.N. | Deposit date: | 2019-10-10 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.079 Å) | Cite: | Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design. Bioorg.Med.Chem., 50, 2021
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4QY6
| Crystal structures of chimeric beta-lactamase cTEM-19m showing different conformations | Descriptor: | Beta-lactamase TEM, Beta-lactamase PSE-4, CHLORIDE ION, ... | Authors: | Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M. | Deposit date: | 2014-07-23 | Release date: | 2015-08-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystal structures of chimeric beta-lactamase cTEM-19m showing different conformations To be Published
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4R4R
| Crystal structure of chimeric beta-lactamase cTEM-19m at 1.2 angstrom resolution | Descriptor: | Beta-lactamase TEM,Beta-lactamase PSE-4, CHLORIDE ION, MAGNESIUM ION | Authors: | Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M. | Deposit date: | 2014-08-19 | Release date: | 2015-11-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The Structural Dynamics of Engineered beta-Lactamases Vary Broadly on Three Timescales yet Sustain Native Function. Sci Rep, 9, 2019
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4R4S
| Crystal structure of chimeric beta-lactamase cTEM-19m at 1.1 angstrom resolution | Descriptor: | Beta-lactamase TEM,Beta-lactamase PSE-4, CHLORIDE ION, MAGNESIUM ION | Authors: | Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M. | Deposit date: | 2014-08-19 | Release date: | 2015-11-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The Structural Dynamics of Engineered beta-Lactamases Vary Broadly on Three Timescales yet Sustain Native Function. Sci Rep, 9, 2019
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6X7Q
| Chloramphenicol acetyltransferase type III in complex with chloramphenicol and acetyl-oxa(dethia)-CoA | Descriptor: | CHLORAMPHENICOL, Chloramphenicol acetyltransferase 3, DI(HYDROXYETHYL)ETHER, ... | Authors: | Benjamin, A.B, Stunkard, L.M, Ling, J, Nice, J.N, Lohman, J.R. | Deposit date: | 2020-05-30 | Release date: | 2021-06-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structures of chloramphenicol acetyltransferase III and Escherichia coli beta-keto-acylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(de-thia)CoA Acta Crystallogr.,Sect.F, 2023
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6X7R
| E. coli beta-ketoacyl-[acyl carrier protein] synthase III (FabH) in complex with oxa(dethia)-coenzyme A | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Benjamin, A.B, Stunkard, L.M, Ling, J, Nice, J.N, Lohman, J.R. | Deposit date: | 2020-05-30 | Release date: | 2021-06-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structures of chloramphenicol acetyltransferase III and Escherichia coli beta-keto-acylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(de-thia)CoA Acta Crystallogr.,Sect.F, 2023
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6XAI
| Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Pro) | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, NzeB, ... | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | Deposit date: | 2020-06-04 | Release date: | 2021-06-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.489 Å) | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase. J.Am.Chem.Soc., 142, 2020
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6XAK
| Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Pro) and cyclo-(L-Trp-L-Trp) | Descriptor: | (3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione, (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, ... | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | Deposit date: | 2020-06-04 | Release date: | 2021-06-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.479 Å) | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase. J.Am.Chem.Soc., 142, 2020
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6XAL
| Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Val) | Descriptor: | (3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione, NzeB, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | Deposit date: | 2020-06-04 | Release date: | 2021-06-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.349 Å) | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase. J.Am.Chem.Soc., 142, 2020
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6XAM
| Crystal structure of NzeB in complex with cyclo-(L-Trp-L-homoalanine) | Descriptor: | (3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione, 1,2-ETHANEDIOL, NzeB, ... | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | Deposit date: | 2020-06-04 | Release date: | 2021-06-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.481 Å) | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase. J.Am.Chem.Soc., 142, 2020
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