1BD0
| ALANINE RACEMASE COMPLEXED WITH ALANINE PHOSPHONATE | Descriptor: | ALANINE RACEMASE, {1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-ETHYL}-PHOSPHONIC ACID | Authors: | Stamper, G.F, Morollo, A.A, Ringe, D. | Deposit date: | 1998-05-12 | Release date: | 1998-10-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Reaction of alanine racemase with 1-aminoethylphosphonic acid forms a stable external aldimine. Biochemistry, 37, 1998
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1NIU
| ALANINE RACEMASE WITH BOUND INHIBITOR DERIVED FROM L-CYCLOSERINE | Descriptor: | Alanine Racemase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE | Authors: | Fenn, T.D, Stamper, G.F, Morollo, A.A, Ringe, D. | Deposit date: | 2002-12-26 | Release date: | 2003-09-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A side reaction of alanine racemase: transamination of cycloserine. Biochemistry, 42, 2003
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1XQL
| Effect of a Y265F Mutant on the Transamination Based Cycloserine Inactivation of Alanine Racemase | Descriptor: | (5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, (R)-4-AMINO-ISOXAZOLIDIN-3-ONE, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Fenn, T.D, Holyoak, T, Stamper, G.F, Ringe, D. | Deposit date: | 2004-10-12 | Release date: | 2005-01-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Effect of a Y265F Mutant on the Transamination-Based Cycloserine Inactivation of Alanine Racemase Biochemistry, 44, 2005
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1XQK
| Effect of a Y265F Mutant on the Transamination Based Cycloserine Inactivation of Alanine Racemase | Descriptor: | (5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, Alanine racemase | Authors: | Fenn, T.D, Holyoak, T, Stamper, G.F, Ringe, D. | Deposit date: | 2004-10-12 | Release date: | 2005-01-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Effect of a Y265F Mutant on the Transamination-Based Cycloserine Inactivation of Alanine Racemase Biochemistry, 44, 2005
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2AM1
| sp protein ligand 1 | Descriptor: | 2,4-DICHLORO-N-(3-CYANO-4,5,6,7-TETRAHYDRO-BENZOTHIOPHEN-2YL)-5-(MORPHOLINE-4-SULFONYL)-BENZAMIDE, GLYCEROL, UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine ligase, ... | Authors: | Longenecker, K.L, Stamper, G.F, Hajduk, P.J, Fry, E.H, Jakob, C.G, Harlan, J.E, Edalji, R, Bartley, D.M, Walter, K.A, Solomon, L.R. | Deposit date: | 2005-08-08 | Release date: | 2006-01-24 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of MurF from Streptococcus pneumoniae co-crystallized with a small molecule inhibitor exhibits interdomain closure Protein Sci., 14, 2005
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2AM2
| sp protein ligand 2 | Descriptor: | 2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-2-YL)-5-DIETHYLSULFAMOYL-BENZAMIDE, UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine ligase, MurF protein | Authors: | Longenecker, K.L, Stamper, G.F, Hajduk, P.J, Fry, E.H, Jakob, C.G, Harlan, J.E, Edalji, R, Bartley, D.M, Walter, K.A, Solomon, L.R. | Deposit date: | 2005-08-08 | Release date: | 2006-01-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of MurF from Streptococcus pneumoniae co-crystallized with a small molecule inhibitor exhibits interdomain closure Protein Sci., 14, 2005
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1EPV
| ALANINE RACEMASE WITH BOUND INHIBITOR DERIVED FROM D-CYCLOSERINE | Descriptor: | ALANINE RACEMASE, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE | Authors: | Fenn, T.D, Stamper, G.F, Morollo, A.A, Ringe, D. | Deposit date: | 2000-03-29 | Release date: | 2003-01-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A side reaction of alanine racemase: transamination of cycloserine. Biochemistry, 42, 2003
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1RRW
| DHNA complexed with 9-methylguanine | Descriptor: | 9-METHYLGUANINE, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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1RS2
| DHNA complex with 8-Amino-1,3-dimethyl-3,7-dihydropurine-2,6-dione | Descriptor: | 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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1RSD
| DHNA complex with 3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-[2-(2-hydroxymethyl-phenylsulfanyl)-benzyl]-benzamide | Descriptor: | 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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1RSI
| DHNA complex with 2-Amino-5-bromo-3-hydroxy-6-phenylpyrimidine | Descriptor: | 2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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1U68
| DHNA 7,8 DIHYDRONEOPTERIN COMPLEX | Descriptor: | 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2004-07-29 | Release date: | 2004-10-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization. J.MED.CHEM., 47, 2004
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1RRY
| DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine | Descriptor: | 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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1RRI
| DHNA complex with 3-(5-amino-7-hydroxy-[1,2,3] triazolo [4,5-d]pyrimidin-2-yl)-benzoic acid | Descriptor: | 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-BENZOIC ACID, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-08 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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1RS4
| DHNA, 7,8-Dihydroneopterin Aldolase complexed with 3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3,5-dichlorobenzyl)-benzamide | Descriptor: | 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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1CO7
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1FTX
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2SFP
| ALANINE RACEMASE WITH BOUND PROPIONATE INHIBITOR | Descriptor: | PROPANOIC ACID, PROTEIN (ALANINE RACEMASE), PYRIDOXAL-5'-PHOSPHATE | Authors: | Morollo, A.A, Petsko, G.A, Ringe, D. | Deposit date: | 1999-02-16 | Release date: | 1999-02-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a Michaelis complex analogue: propionate binds in the substrate carboxylate site of alanine racemase. Biochemistry, 38, 1999
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1L6G
| Alanine racemase bound with N-(5'-phosphopyridoxyl)-D-alanine | Descriptor: | N-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE, alanine racemase | Authors: | Watanabe, A, Yoshimura, T, Mikami, B, Hayashi, H, Kagamiyama, H, Esaki, N. | Deposit date: | 2002-03-10 | Release date: | 2002-06-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Reaction mechanism of alanine racemase from Bacillus stearothermophilus: x-ray crystallographic studies of the enzyme bound with N-(5'-phosphopyridoxyl)alanine. J.Biol.Chem., 277, 2002
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1L6F
| Alanine racemase bound with N-(5'-phosphopyridoxyl)-L-alanine | Descriptor: | ALANYL-PYRIDOXAL-5'-PHOSPHATE, alanine racemase | Authors: | Watanabe, A, Yoshimura, T, Mikami, B, Hayashi, H, Kagamiyama, H, Esaki, N. | Deposit date: | 2002-03-09 | Release date: | 2002-06-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Reaction mechanism of alanine racemase from Bacillus stearothermophilus: x-ray crystallographic studies of the enzyme bound with N-(5'-phosphopyridoxyl)alanine. J.Biol.Chem., 277, 2002
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