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1RHM
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BU of 1rhm by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A NICOTINIC ACID ALDEHYDE INHIBITOR
Descriptor: 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID, CASP-3
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-14
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1JHY
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BU of 1jhy by Molmil
Three-dimensional Structure of CobT in Complex with Phenol and Nicotinate
Descriptor: NICOTINIC ACID, Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase, PHENOL, ...
Authors:Cheong, C.G, Escalante-Semerena, J, Rayment, I.
Deposit date:2001-06-28
Release date:2001-10-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural investigation of the biosynthesis of alternative lower ligands for cobamides by nicotinate mononucleotide: 5,6-dimethylbenzimidazole phosphoribosyltransferase from Salmonella enterica.
J.Biol.Chem., 276, 2001
1RHK
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BU of 1rhk by Molmil
Crystal structure of the complex of caspase-3 with a phenyl-propyl-ketone inhibitor
Descriptor: Caspase-3, acetyl-asp-glu-val-fpr
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-14
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1JHO
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BU of 1jho by Molmil
Three-dimensional Structure of CobT in Complex with the Reaction Products of 5-methylbenzimidazole and NaMN
Descriptor: N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METHYLBENZIMIDAZOLE, NICOTINIC ACID, Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase
Authors:Cheong, C.G, Escalante-Semerena, J, Rayment, I.
Deposit date:2001-06-28
Release date:2001-10-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural investigation of the biosynthesis of alternative lower ligands for cobamides by nicotinate mononucleotide: 5,6-dimethylbenzimidazole phosphoribosyltransferase from Salmonella enterica.
J.Biol.Chem., 276, 2001
1JHV
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BU of 1jhv by Molmil
Three-dimensional Structure of CobT in Complex with p-cresol and Nicotinate
Descriptor: NICOTINIC ACID, Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase, P-CRESOL, ...
Authors:Cheong, C.G, Escalante-Semerena, J, Rayment, I.
Deposit date:2001-06-28
Release date:2001-10-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural investigation of the biosynthesis of alternative lower ligands for cobamides by nicotinate mononucleotide: 5,6-dimethylbenzimidazole phosphoribosyltransferase from Salmonella enterica.
J.Biol.Chem., 276, 2001
1RHR
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BU of 1rhr by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A CINNAMIC ACID METHYL ESTER INHIBITOR
Descriptor: (3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID, Caspase-3
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-14
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1C2T
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BU of 1c2t by Molmil
NEW INSIGHTS INTO INHIBITOR DESIGN FROM THE CRYSTAL STRUCTURE AND NMR STUDIES OF E. COLI GAR TRANSFORMYLASE IN COMPLEX WITH BETA-GAR AND 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID.
Descriptor: 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID, GLYCINAMIDE RIBONUCLEOTIDE, GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE
Authors:Greasley, S.E, Yamashita, M.M, Cai, H, Benkovic, S.J, Boger, D.L, Wilson, I.A.
Deposit date:1999-07-26
Release date:2000-01-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New insights into inhibitor design from the crystal structure and NMR studies of Escherichia coli GAR transformylase in complex with beta-GAR and 10-formyl-5,8,10-trideazafolic acid.
Biochemistry, 38, 1999
1JHQ
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BU of 1jhq by Molmil
Three-dimensional Structure of CobT in Complex with Reaction Products of 5-methoxybenzimidazole and NaMN
Descriptor: N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METHOXYBENZIMIDAZOLE, NICOTINIC ACID, Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase
Authors:Cheong, C.G, Escalante-Semerena, J, Rayment, I.
Deposit date:2001-06-28
Release date:2001-10-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural investigation of the biosynthesis of alternative lower ligands for cobamides by nicotinate mononucleotide: 5,6-dimethylbenzimidazole phosphoribosyltransferase from Salmonella enterica.
J.Biol.Chem., 276, 2001
1JHA
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BU of 1jha by Molmil
Structural Investigation of the Biosynthesis of Alternative Lower Ligands for Cobamides by Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase (CobT) from Salmonella enterica
Descriptor: ALPHA-ADENOSINE MONOPHOSPHATE, NICOTINIC ACID, Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase
Authors:Cheong, C.-G, Escalante-Semerena, J, Rayment, I.
Deposit date:2001-06-27
Release date:2001-09-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural investigation of the biosynthesis of alternative lower ligands for cobamides by nicotinate mononucleotide: 5,6-dimethylbenzimidazole phosphoribosyltransferase from Salmonella enterica.
J.Biol.Chem., 276, 2001
1JHM
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BU of 1jhm by Molmil
Three-dimensional Structure of CobT in Complex with 5-methylbenzimidazole
Descriptor: 5-METHYLBENZIMIDAZOLE, Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase, PHOSPHATE ION
Authors:Cheong, C.G, Escalante-Semerena, J, Rayment, I.
Deposit date:2001-06-28
Release date:2001-10-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural investigation of the biosynthesis of alternative lower ligands for cobamides by nicotinate mononucleotide: 5,6-dimethylbenzimidazole phosphoribosyltransferase from Salmonella enterica.
J.Biol.Chem., 276, 2001
1JHU
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BU of 1jhu by Molmil
Three-dimensional Structure of CobT in Complex with p-cresol
Descriptor: Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase, P-CRESOL, PHOSPHATE ION
Authors:Cheong, C.G, Escalante-Semerena, J, Rayment, I.
Deposit date:2001-06-28
Release date:2001-10-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural investigation of the biosynthesis of alternative lower ligands for cobamides by nicotinate mononucleotide: 5,6-dimethylbenzimidazole phosphoribosyltransferase from Salmonella enterica.
J.Biol.Chem., 276, 2001
1RHU
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BU of 1rhu by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A 5,6,7 TRICYCLIC PEPTIDOMIMETIC INHIBITOR
Descriptor: (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID, Caspase-3
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-14
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1L4E
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BU of 1l4e by Molmil
The crystal structure of CobT complexed with alpha-ribazole-5'-phosphate
Descriptor: ALPHA-RIBAZOLE-5'-PHOSPHATE, Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
Authors:Cheong, C.-G, Escalante-Semerena, J, Rayment, I.
Deposit date:2002-03-06
Release date:2002-09-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Capture of a labile substrate by expulsion of water molecules from the active site of nicotinate mononucleotide:5,6-dimethylbenzimidazole phosphoribosyltransferase (CobT) from Salmonella enterica.
J.Biol.Chem., 277, 2002
1JH8
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BU of 1jh8 by Molmil
Structural Investigation of the Biosynthesis of Alternative Lower Ligands for Cobamides by Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase (CobT) from Salmonella enterica
Descriptor: ADENINE, Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase, PHOSPHATE ION
Authors:Cheong, C.-G, Escalante-Semerena, J, Rayment, I.
Deposit date:2001-06-27
Release date:2001-09-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural investigation of the biosynthesis of alternative lower ligands for cobamides by nicotinate mononucleotide: 5,6-dimethylbenzimidazole phosphoribosyltransferase from Salmonella enterica.
J.Biol.Chem., 276, 2001
1JHP
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BU of 1jhp by Molmil
Three-dimensional Structure of CobT in Complex with 5-methoxybenzimidazole
Descriptor: 5-METHOXYBENZIMIDAZOLE, Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase, PHOSPHATE ION
Authors:Cheong, C.G, Escalante-Semerena, J, Rayment, I.
Deposit date:2001-06-28
Release date:2001-10-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural investigation of the biosynthesis of alternative lower ligands for cobamides by nicotinate mononucleotide: 5,6-dimethylbenzimidazole phosphoribosyltransferase from Salmonella enterica.
J.Biol.Chem., 276, 2001
1JHX
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BU of 1jhx by Molmil
Three-dimensional Structure of CobT in Complex with Phenol
Descriptor: Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase, PHENOL, PHOSPHATE ION
Authors:Cheong, C.G, Escalante-Semerena, J, Rayment, I.
Deposit date:2001-06-28
Release date:2001-10-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural investigation of the biosynthesis of alternative lower ligands for cobamides by nicotinate mononucleotide: 5,6-dimethylbenzimidazole phosphoribosyltransferase from Salmonella enterica.
J.Biol.Chem., 276, 2001
1L4G
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BU of 1l4g by Molmil
Crystal Structure of CobT complexed with 4-methylcatechol and nicotinate mononucleotide
Descriptor: 4-METHYLCATECHOL, NICOTINATE MONONUCLEOTIDE, Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
Authors:Cheong, C.-G, Escalante-Semerena, J, Rayment, I.
Deposit date:2002-03-06
Release date:2002-09-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Capture of a labile substrate by expulsion of water molecules from the active site of nicotinate mononucleotide:5,6-dimethylbenzimidazole phosphoribosyltransferase (CobT) from Salmonella enterica.
J.Biol.Chem., 277, 2002
1L4B
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BU of 1l4b by Molmil
Crystal Structure of CobT in apo state
Descriptor: Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase, PHOSPHATE ION
Authors:Cheong, C.-G, Escalante-Semerena, J, Rayment, I.
Deposit date:2002-03-04
Release date:2002-09-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Capture of a labile substrate by expulsion of water molecules from the active site of nicotinate mononucleotide:5,6-dimethylbenzimidazole phosphoribosyltransferase (CobT) from Salmonella enterica.
J.Biol.Chem., 277, 2002
1L5O
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BU of 1l5o by Molmil
Crystal Structure of CobT complexed with 3,4-dimethylphenol and nicotinate mononucleotide
Descriptor: 3,4-DIMETHYLPHENOL, NICOTINATE MONONUCLEOTIDE, Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
Authors:Cheong, C.-G, Escalante-Semerena, J, Rayment, I.
Deposit date:2002-03-07
Release date:2002-09-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Capture of a labile substrate by expulsion of water molecules from the active site of nicotinate mononucleotide:5,6-dimethylbenzimidazole phosphoribosyltransferase (CobT) from Salmonella enterica.
J.Biol.Chem., 277, 2002
1L4F
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BU of 1l4f by Molmil
The crystal structure of CobT complexed with 4,5-dimethyl-1,2-phenylenediamine and nicotinate mononucleotide
Descriptor: 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE, NICOTINATE MONONUCLEOTIDE, Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
Authors:Cheong, C.-G, Escalante-Semerena, J, Rayment, I.
Deposit date:2002-03-06
Release date:2002-09-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Capture of a labile substrate by expulsion of water molecules from the active site of nicotinate mononucleotide:5,6-dimethylbenzimidazole phosphoribosyltransferase (CobT) from Salmonella enterica.
J.Biol.Chem., 277, 2002
1L4K
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BU of 1l4k by Molmil
Crystal Structure of CobT complexed with 3,4-dimethylaniline and nicotinate mononucleotide
Descriptor: 3,4-DIMETHYLANILINE, NICOTINATE MONONUCLEOTIDE, Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
Authors:Cheong, C.-G, Escalante-Semerena, J, Rayment, I.
Deposit date:2002-03-06
Release date:2002-09-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Capture of a labile substrate by expulsion of water molecules from the active site of nicotinate mononucleotide:5,6-dimethylbenzimidazole phosphoribosyltransferase (CobT) from Salmonella enterica.
J.Biol.Chem., 277, 2002
1JHR
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BU of 1jhr by Molmil
Three-dimensional Structure of CobT in Complex with Reaction Products of 2-hydroxypurine and NaMN
Descriptor: N7-(5'-PHOSPHO-ALPHA-RIBOSYL)-2-HYDROXYPURINE, NICOTINIC ACID, Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase
Authors:Cheong, C.G, Escalante-Semerena, J, Rayment, I.
Deposit date:2001-06-28
Release date:2001-10-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural investigation of the biosynthesis of alternative lower ligands for cobamides by nicotinate mononucleotide: 5,6-dimethylbenzimidazole phosphoribosyltransferase from Salmonella enterica.
J.Biol.Chem., 276, 2001
1L4L
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BU of 1l4l by Molmil
Crystal Structure of CobT complexed with 2,5-dimethylaniline and nicotinate mononucleotide
Descriptor: 2,5-DIMETHYLANILINE, NICOTINATE MONONUCLEOTIDE, Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
Authors:Cheong, C.-G, Escalante-Semerena, J, Rayment, I.
Deposit date:2002-03-06
Release date:2002-09-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Capture of a labile substrate by expulsion of water molecules from the active site of nicotinate mononucleotide:5,6-dimethylbenzimidazole phosphoribosyltransferase (CobT) from Salmonella enterica.
J.Biol.Chem., 277, 2002
1ZFL
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BU of 1zfl by Molmil
Solution structure of III-A, the major intermediate in the oxidative folding of leech carboxypeptidase inhibitor
Descriptor: Metallocarboxypeptidase inhibitor
Authors:Arolas, J.L, D'Silva, L, Popowicz, G.M, Aviles, F.X, Holak, T.A, Ventura, S.
Deposit date:2005-04-20
Release date:2005-09-13
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:NMR structural characterization and computational predictions of the major intermediate in oxidative folding of leech carboxypeptidase inhibitor
STRUCTURE, 13, 2005
2NN7
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BU of 2nn7 by Molmil
Structure of inhibitor binding to Carbonic Anhydrase I
Descriptor: Carbonic anhydrase 1, DIMETHYL SULFOXIDE, ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-23
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II.
J.Am.Chem.Soc., 129, 2007

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