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2W70
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CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E. COLI IN COMPLEX WITH THE AMINO-THIAZOLE-PYRIMIDINE FRAGMENT
Descriptor:BIOTIN CARBOXYLASE, 4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine, CHLORIDE ION
Authors:Mochalkin, I., Miller, J.R.
Deposit date:2008-12-19
Release date:2009-05-19
Last modified:2011-07-13
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
2W6P
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CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E. COLI IN COMPLEX WITH 5-METHYL-6-PHENYL-QUINAZOLINE-2,4-DIAMINE
Descriptor:ACETYL-COA CARBOXYLASE, 5-methyl-6-phenylquinazoline-2,4-diamine
Authors:Mochalkin, I., Miller, J.R.
Deposit date:2008-12-18
Release date:2009-05-19
Last modified:2011-07-13
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
2W6N
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CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E. COLI IN COMPLEX WITH AMINO-OXAZOLE FRAGMENT SERIES
Descriptor:BIOTIN CARBOXYLASE, 2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE, CHLORIDE ION
Authors:Mochalkin, I., Miller, J.R.
Deposit date:2008-12-18
Release date:2009-05-19
Last modified:2011-07-13
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
2W6Z
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CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E. COLI IN COMPLEX WITH THE 3-(3-METHYL-BUT-2-ENYL)-3H-PURIN-6-YLAMINE FRAGMENT
Descriptor:BIOTIN CARBOXYLASE, 3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine, CHLORIDE ION
Authors:Mochalkin, I., Miller, J.R.
Deposit date:2008-12-19
Release date:2009-05-19
Last modified:2011-07-13
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
2W71
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CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E. COLI IN COMPLEX WITH THE IMIDAZOLE-PYRIMIDINE INHIBITOR
Descriptor:BIOTIN CARBOXYLASE, CHLORIDE ION, 4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine
Authors:Mochalkin, I., Miller, J.R.
Deposit date:2008-12-19
Release date:2009-05-19
Last modified:2014-11-19
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
2W6M
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CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E. COLI IN COMPLEX WITH AMINO-OXAZOLE FRAGMENT SERIES
Descriptor:BIOTIN CARBOXYLASE, (2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE, CHLORIDE ION
Authors:Mochalkin, I., Miller, J.R.
Deposit date:2008-12-18
Release date:2009-05-19
Last modified:2011-07-13
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
2W6Q
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CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E. COLI IN COMPLEX WITH THE TRIAZINE-2,4-DIAMINE FRAGMENT
Descriptor:BIOTIN CARBOXYLASE, 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine, CHLORIDE ION
Authors:Mochalkin, I., Miller, J.R.
Deposit date:2008-12-18
Release date:2009-05-19
Last modified:2011-07-13
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
2W6O
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CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E. COLI IN COMPLEX WITH 4-AMINO-7,7-DIMETHYL-7,8-DIHYDRO-QUINAZOLINONE FRAGMENT
Descriptor:BIOTIN CARBOXYLASE, 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one, CHLORIDE ION
Authors:Mochalkin, I., Miller, J.R.
Deposit date:2008-12-18
Release date:2009-05-19
Last modified:2011-07-13
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
6MNY
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CRYSTAL STRUCTURE OF MOUSE BTK KINASE DOMAIN IN COMPLEX WITH COMPOUND 9A
Descriptor:Tyrosine-protein kinase, 5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide
Authors:Han, S., Caspers, N., Ohren, J.O.
Deposit date:2018-10-03
Release date:2019-01-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Aminopyrazole Carboxamide Bruton's Tyrosine Kinase Inhibitors. Irreversible to Reversible Covalent Reactive Group Tuning.
ACS Med Chem Lett, 10, 2019
1AGG
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THE SOLUTION STRUCTURE OF OMEGA-AGA-IVB, A P-TYPE CALCIUM CHANNEL ANTAGONIST FROM THE VENOM OF AGELENOPSIS APERTA
Descriptor:OMEGA-AGATOXIN-IVB
Authors:Reily, M.D., Thanabal, V., Adams, M.E.
Deposit date:1995-11-03
Release date:1996-03-08
Last modified:2014-02-05
Method:SOLUTION NMR
Cite:The solution structure of omega-Aga-IVB, a P-type calcium channel antagonist from venom of the funnel web spider, Agelenopsis aperta.
J.Biomol.NMR, 5, 1995
1AW6
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GAL4 (CD), NMR, 24 STRUCTURES
Descriptor:GAL4 (CD), CADMIUM ION
Authors:Baleja, J.D., Wagner, G.
Deposit date:1997-10-10
Release date:1998-04-15
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Refined solution structure of the DNA-binding domain of GAL4 and use of 3J(113Cd,1H) in structure determination.
J.Biomol.NMR, 10, 1997
1EIT
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NMR STUDY OF MU-AGATOXIN
Descriptor:MU-AGATOXIN-I
Authors:Omecinsky, D.O., Reily, M.D.
Deposit date:1995-12-14
Release date:1996-04-03
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Three-dimensional structure analysis of mu-agatoxins: further evidence for common motifs among neurotoxins with diverse ion channel specificities.
Biochemistry, 35, 1996
1GHU
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NMR SOLUTION STRUCTURE OF GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2 (GRB2) SH2 DOMAIN, 24 STRUCTURES
Descriptor:GRB2
Authors:Thornton, K.H., Mueller, W.T., Mcconnell, P., Zhu, G., Saltiel, A.R., Thanabal, V.
Deposit date:1996-08-05
Release date:1997-01-27
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Nuclear magnetic resonance solution structure of the growth factor receptor-bound protein 2 Src homology 2 domain.
Biochemistry, 35, 1996
1IVA
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STRUCTURE-ACTIVITY RELATIONSHIPS FOR P-TYPE CALCIUM CHANNEL SELECTIVE OMEGA-AGATOXINS
Descriptor:OMEGA-AGATOXIN-IVA
Authors:Reily, M.D., Holub, K.E.
Deposit date:1994-10-27
Release date:1995-02-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure-activity relationships for P-type calcium channel-selective omega-agatoxins.
Nat.Struct.Biol., 1, 1994
2PAC
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SOLUTION STRUCTURE OF FE(II) CYTOCHROME C551 FROM PSEUDOMONAS AERUGINOSA AS DETERMINED BY TWO-DIMENSIONAL 1H NMR
Descriptor:CYTOCHROME C551, PROTOPORPHYRIN IX CONTAINING FE
Authors:Detlefsen, D.J., Thanabal, V., Pecoraro, V.L., Wagner, G.
Deposit date:1993-05-05
Release date:1993-10-31
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of Fe(II) cytochrome c551 from Pseudomonas aeruginosa as determined by two-dimensional 1H NMR.
Biochemistry, 30, 1991