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1AGG
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BU of 1agg by Molmil
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
2PAC
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BU of 2pac by Molmil
SOLUTION STRUCTURE OF FE(II) CYTOCHROME C551 FROM PSEUDOMONAS AERUGINOSA AS DETERMINED BY TWO-DIMENSIONAL 1H NMR
Descriptor: CYTOCHROME C551, HEME C
Authors:Detlefsen, D.J, Thanabal, V, Pecoraro, V.L, Wagner, G.
Deposit date:1993-05-05
Release date:1993-10-31
Last modified:2021-03-10
Method:SOLUTION NMR
Cite:Solution structure of Fe(II) cytochrome c551 from Pseudomonas aeruginosa as determined by two-dimensional 1H NMR.
Biochemistry, 30, 1991
1GHU
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BU of 1ghu by Molmil
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:2022-02-23
Method:SOLUTION NMR
Cite:Nuclear magnetic resonance solution structure of the growth factor receptor-bound protein 2 Src homology 2 domain.
Biochemistry, 35, 1996
1AW6
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BU of 1aw6 by Molmil
GAL4 (CD), NMR, 24 STRUCTURES
Descriptor: CADMIUM ION, GAL4 (CD)
Authors:Baleja, J.D, Wagner, G.
Deposit date:1997-10-10
Release date:1998-04-15
Last modified:2022-02-16
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
6MNY
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BU of 6mny by Molmil
Crystal structure of mouse BTK kinase domain in complex with compound 9a
Descriptor: 5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase
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
1EIT
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BU of 1eit by Molmil
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:2022-02-16
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
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
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
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
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
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
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
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
1IVA
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BU of 1iva by Molmil
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:2022-02-23
Method:SOLUTION NMR
Cite:Structure-activity relationships for P-type calcium channel-selective omega-agatoxins.
Nat.Struct.Biol., 1, 1994

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