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1BD0
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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:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Reaction of alanine racemase with 1-aminoethylphosphonic acid forms a stable external aldimine.
Biochemistry, 37, 1998
1EPV
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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
1NIU
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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
1RRI
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DHNA COMPLEX WITH 3-(5-AMINO-7-HYDROXY-[1,2,3] TRIAZOLO [4,5-D]PYRIMIDIN-2-YL)-BENZOIC ACID
Descriptor:Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-BENZOIC ACID
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:2011-07-13
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
1RRW
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DHNA COMPLEXED WITH 9-METHYLGUANINE
Descriptor:Dihydroneopterin aldolase, 9-METHYLGUANINE
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:2011-07-13
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
1RRY
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DHNA COMPLEXED WITH 2-AMINO-4-HYDROXY-5-CARBOXYETHYLPYRIMIDINE
Descriptor:Dihydroneopterin aldolase, 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
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:2011-07-13
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
1RS2
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DHNA COMPLEX WITH 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE
Descriptor:Dihydroneopterin aldolase, 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE
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:2011-07-13
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
1RS4
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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:Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE
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:2011-07-13
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
1RSD
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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:Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE
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:2011-07-13
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
1RSI
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DHNA COMPLEX WITH 2-AMINO-5-BROMO-3-HYDROXY-6-PHENYLPYRIMIDINE
Descriptor:Dihydroneopterin aldolase, 2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL
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:2011-07-13
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
1U68
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DHNA 7,8 DIHYDRONEOPTERIN COMPLEX
Descriptor:Dihydroneopterin aldolase, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE
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
1XQK
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EFFECT OF A Y265F MUTANT ON THE TRANSAMINATION BASED CYCLOSERINE INACTIVATION OF ALANINE RACEMASE
Descriptor:Alanine racemase, (5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
Authors:Fenn, T.D., Holyoak, T., Stamper, G.F., Ringe, D.
Deposit date:2004-10-12
Release date:2005-01-18
Last modified:2018-01-31
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
1XQL
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EFFECT OF A Y265F MUTANT ON THE TRANSAMINATION BASED CYCLOSERINE INACTIVATION OF ALANINE RACEMASE
Descriptor:Alanine racemase, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, (5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, ...
Authors:Fenn, T.D., Holyoak, T., Stamper, G.F., Ringe, D.
Deposit date:2004-10-12
Release date:2005-01-18
Last modified:2018-05-02
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
2AM1
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SP PROTEIN LIGAND 1
Descriptor:UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine ligase, MurF protein, 2,4-DICHLORO-N-(3-CYANO-4,5,6,7-TETRAHYDRO-BENZOTHIOPHEN-2YL)-5-(MORPHOLINE-4-SULFONYL)-BENZAMIDE, ...
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
2AM2
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SP PROTEIN LIGAND 2
Descriptor:UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine ligase, MurF protein, 2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-2-YL)-5-DIETHYLSULFAMOYL-BENZAMIDE
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 (2.8 Å)
Cite:Structure of MurF from Streptococcus pneumoniae co-crystallized with a small molecule inhibitor exhibits interdomain closure
Protein Sci., 14, 2005
1CO7
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R117H MUTANT RAT ANIONIC TRYPSIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI)
Descriptor:TRYPSIN II, BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION
Authors:Stamper, G.F., Ringe, D., Hedstrom, L.
Deposit date:1999-06-07
Release date:2003-01-07
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:

1FTX
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CRYSTAL STRUCTURE OF ALANINE RACEMASE IN COMPLEX WITH D-ALANINE PHOSPHONATE
Descriptor:ALANINE RACEMASE, (1S)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACID
Authors:Stamper, G.F., Ringe, D.
Deposit date:2000-09-13
Release date:2003-01-14
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:

1L6F
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ALANINE RACEMASE BOUND WITH N-(5'-PHOSPHOPYRIDOXYL)-L-ALANINE
Descriptor:alanine racemase, ALANYL-PYRIDOXAL-5'-PHOSPHATE
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:2011-07-13
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
1L6G
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ALANINE RACEMASE BOUND WITH N-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE
Descriptor:alanine racemase, N-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE
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:2011-07-13
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