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8KME
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BU of 8kme by Molmil
CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN INHIBITED WITH SEL2770.
Descriptor: N-ACETYLHIRUDIN, SEL2770, SODIUM ION, ...
Authors:Mochalkin, I, Tulinsky, A.
Deposit date:1999-03-21
Release date:1999-03-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of thrombin retro-inhibited with SEL2711 and SEL2770 as they relate to factor Xa binding.
Acta Crystallogr.,Sect.D, 55, 1999
3KIV
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BU of 3kiv by Molmil
RECOMBINANT KRINGLE IV-10/M66 VARIANT OF HUMAN APOLIPOPROTEIN(A)
Descriptor: 6-AMINOHEXANOIC ACID, APOLIPOPROTEIN
Authors:Mochalkin, I, Tulinsky, A, Scanu, A.
Deposit date:1998-09-08
Release date:1999-05-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recombinant kringle IV-10 modules of human apolipoprotein(a): structure, ligand binding modes, and biological relevance.
Biochemistry, 38, 1999
2C00
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BU of 2c00 by Molmil
Crystal Structure of Biotin Carboxylase from Pseudomonas aeruginosa in apo form
Descriptor: BIOTIN CARBOXYLASE, SULFATE ION
Authors:Mochalkin, I.
Deposit date:2008-03-21
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Evidence for Substrate-Induced Synergism and Half-Sites Reactivity in Biotin Carboxylase.
Protein Sci., 17, 2008
4KIV
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BU of 4kiv by Molmil
RECOMBINANT KRINGLE IV-10/W72R MUTANT OF HUMAN APOLIPOPROTEIN(A)
Descriptor: APOLIPOPROTEIN
Authors:Mochalkin, I, Tulinsky, A, Scanu, A.
Deposit date:1998-08-26
Release date:1999-05-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Recombinant kringle IV-10 modules of human apolipoprotein(a): structure, ligand binding modes, and biological relevance.
Biochemistry, 38, 1999
7KME
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BU of 7kme by Molmil
CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN INHIBITED WITH SEL2711.
Descriptor: HIRUGEN, SEL2711, SODIUM ION, ...
Authors:Mochalkin, I, Tulinsky, A.
Deposit date:1999-02-26
Release date:1999-03-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of thrombin retro-inhibited with SEL2711 and SEL2770 as they relate to factor Xa binding.
Acta Crystallogr.,Sect.D, 55, 1999
1KIV
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BU of 1kiv by Molmil
RECOMBINANT KRINGLE IV-10/M66 VARIANT OF HUMAN APOLIPOPROTEIN(A)
Descriptor: APOLIPOPROTEIN A
Authors:Mochalkin, I, Tulinsky, A, Scanu, A.
Deposit date:1998-08-26
Release date:1999-05-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Recombinant kringle IV-10 modules of human apolipoprotein(a): structure, ligand binding modes, and biological relevance.
Biochemistry, 38, 1999
2J9G
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BU of 2j9g by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with AMPPNP and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BIOTIN CARBOXYLASE, MAGNESIUM ION, ...
Authors:Mochalkin, I.
Deposit date:2008-03-21
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Evidence for Substrate-Induced Synergism and Half-Sites Reactivity in Biotin Carboxylase.
Protein Sci., 17, 2008
2V0L
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BU of 2v0l by Molmil
Characterization of Substrate Binding and Catalysis of the Potential Antibacterial Target N-acetylglucosamine-1-phosphate Uridyltransferase (GlmU)
Descriptor: BIFUNCTIONAL PROTEIN GLMU, SULFATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Mochalkin, I, Lightle, S, Ohren, J.F, Chirgadze, N.Y.
Deposit date:2007-05-14
Release date:2008-01-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Characterization of Substrate Binding and Catalysis in the Potential Antibacterial Target N-Acetylglucosamine-1-Phosphate Uridyltransferase (Glmu).
Protein Sci., 16, 2007
2V0I
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BU of 2v0i by Molmil
Characterization of Substrate Binding and Catalysis of the Potential Antibacterial Target N-acetylglucosamine-1-phosphate Uridyltransferase (GlmU)
Descriptor: BIFUNCTIONAL PROTEIN GLMU, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Mochalkin, I, Lightle, S, Ohren, J.F, Chirgadze, N.Y.
Deposit date:2007-05-14
Release date:2008-01-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Characterization of Substrate Binding and Catalysis in the Potential Antibacterial Target N-Acetylglucosamine-1-Phosphate Uridyltransferase (Glmu).
Protein Sci., 16, 2007
2W6Z
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BU of 2w6z by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with the 3-(3-Methyl-but-2-enyl)-3H-purin-6-ylamine fragment
Descriptor: 3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine, BIOTIN CARBOXYLASE, CHLORIDE ION
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-19
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2W6O
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BU of 2w6o by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with 4-Amino-7,7-dimethyl-7,8-dihydro-quinazolinone fragment
Descriptor: 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one, BIOTIN CARBOXYLASE, CHLORIDE ION
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-18
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2W6P
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BU of 2w6p by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with 5-Methyl-6-phenyl-quinazoline-2,4-diamine
Descriptor: 5-methyl-6-phenylquinazoline-2,4-diamine, ACETYL-COA CARBOXYLASE
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-18
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2W6M
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BU of 2w6m by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series
Descriptor: (2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE, BIOTIN CARBOXYLASE, CHLORIDE ION
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-18
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2VQD
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BU of 2vqd by Molmil
Crystal Structure of Biotin Carboxylase from Pseudomonas aeruginosa complexed with AMPCP
Descriptor: BIOTIN CARBOXYLASE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Mochalkin, I.
Deposit date:2008-03-13
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural Evidence for Substrate-Induced Synergism and Half-Sites Reactivity in Biotin Carboxylase.
Protein Sci., 17, 2008
2V0K
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BU of 2v0k by Molmil
Characterization of Substrate Binding and Catalysis of the Potential Antibacterial Target N-acetylglucosamine-1-phosphate Uridyltransferase (GlmU)
Descriptor: BIFUNCTIONAL PROTEIN GLMU, SULFATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Mochalkin, I, Lightle, S, Ohren, J.F, Chirgadze, N.Y.
Deposit date:2007-05-14
Release date:2008-01-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of Substrate Binding and Catalysis in the Potential Antibacterial Target N-Acetylglucosamine-1-Phosphate Uridyltransferase (Glmu).
Protein Sci., 16, 2007
2V0J
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BU of 2v0j by Molmil
Characterization of Substrate Binding and Catalysis of the Potential Antibacterial Target N-acetylglucosamine-1-phosphate Uridyltransferase (GlmU)
Descriptor: 5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE, BIFUNCTIONAL PROTEIN GLMU, MAGNESIUM ION, ...
Authors:Mochalkin, I, Lightle, S, Ohren, J.F, Chirgadze, N.Y.
Deposit date:2007-05-14
Release date:2008-01-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of Substrate Binding and Catalysis in the Potential Antibacterial Target N-Acetylglucosamine-1-Phosphate Uridyltransferase (Glmu).
Protein Sci., 16, 2007
2VD4
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BU of 2vd4 by Molmil
Structure of small-molecule inhibitor of Glmu from Haemophilus influenzae reveals an allosteric binding site
Descriptor: 4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide, BIFUNCTIONAL PROTEIN GLMU, MAGNESIUM ION, ...
Authors:Mochalkin, I, Lightle, S, McDowell, L.
Deposit date:2007-09-28
Release date:2008-01-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a Small-Molecule Inhibitor Complexed with Glmu from Haemophilus Influenzae Reveals an Allosteric Binding Site.
Protein Sci., 17, 2008
2V0H
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BU of 2v0h by Molmil
Characterization of Substrate Binding and Catalysis of the Potential Antibacterial Target N-acetylglucosamine-1-phosphate Uridyltransferase (GlmU)
Descriptor: BIFUNCTIONAL PROTEIN GLMU, COBALT (II) ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Mochalkin, I, Lightle, S, Ohren, J.F, Chirgadze, N.Y.
Deposit date:2007-05-14
Release date:2008-01-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Characterization of Substrate Binding and Catalysis in the Potential Antibacterial Target N-Acetylglucosamine-1-Phosphate Uridyltransferase (Glmu).
Protein Sci., 16, 2007
2W6Q
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BU of 2w6q by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with the triazine-2,4-diamine fragment
Descriptor: 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-18
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2W71
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BU of 2w71 by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with the imidazole-pyrimidine inhibitor
Descriptor: 4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-19
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2W70
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BU of 2w70 by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with the amino-thiazole-pyrimidine fragment
Descriptor: 4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-19
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2VPQ
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BU of 2vpq by Molmil
Crystal structure of biotin carboxylase from S. aureus complexed with AMPPNP
Descriptor: ACETYL-COA CARBOXYLASE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Mochalkin, I.
Deposit date:2008-03-03
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Evidence for Substrate-Induced Synergism and Half-Sites Reactivity in Biotin Carboxylase.
Protein Sci., 17, 2008
2VR1
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BU of 2vr1 by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with ATP analog, ADPCF2P.
Descriptor: BIOTIN CARBOXYLASE, CHLORIDE ION, PHOSPHODIFLUOROMETHYLPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Mochalkin, I, Waldrop, G.L.
Deposit date:2008-03-24
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Evidence for Substrate-Induced Synergism and Half-Sites Reactivity in Biotin Carboxylase.
Protein Sci., 17, 2008
2W6N
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BU of 2w6n by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series
Descriptor: 2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE, BIOTIN CARBOXYLASE, CHLORIDE ION
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-18
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2VES
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BU of 2ves by Molmil
Crystal Structure of LpxC from Pseudomonas aeruginosa complexed with the potent BB-78485 inhibitor
Descriptor: (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide, SULFATE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Mochalkin, I, Knafels, J.D.
Deposit date:2007-10-26
Release date:2008-01-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of LpxC from Pseudomonas aeruginosa complexed with the potent BB-78485 inhibitor.
Protein Sci., 17, 2008

 

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