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4J3F
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BU of 4j3f by Molmil
Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold.
Descriptor: 1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E.
Deposit date:2013-02-05
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).
Bioorg.Med.Chem.Lett., 25, 2015
4J1N
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BU of 4j1n by Molmil
Crystal structures of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold
Descriptor: 1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ...
Authors:Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E.
Deposit date:2013-02-01
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).
Bioorg.Med.Chem.Lett., 25, 2015
4J4T
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BU of 4j4t by Molmil
Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold
Descriptor: 1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E.
Deposit date:2013-02-07
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).
Bioorg.Med.Chem.Lett., 25, 2015
2QTR
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BU of 2qtr by Molmil
Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase
Descriptor: NICOTINIC ACID ADENINE DINUCLEOTIDE, Probable nicotinate-nucleotide adenylyltransferase, SULFATE ION
Authors:Sershon, V.C, Santarsiero, B.D, Mesecar, A.D.
Deposit date:2007-08-02
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Kinetic and X-ray structural evidence for negative cooperativity in substrate binding to nicotinate mononucleotide adenylyltransferase (NMAT) from Bacillus anthracis.
J.Mol.Biol., 385, 2009
2QX9
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BU of 2qx9 by Molmil
Crystal Structure of Quinone Reductase II
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D.
Deposit date:2007-08-10
Release date:2008-09-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2.
Biochem.J., 413, 2008
2QTM
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BU of 2qtm by Molmil
Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase
Descriptor: COBALT (II) ION, GLYCEROL, Nicotinate (Nicotinamide) nucleotide adenylyltransferase
Authors:Sershon, V.C, Santarsiero, B.D, Mesecar, A.D.
Deposit date:2007-08-02
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Kinetic and X-ray structural evidence for negative cooperativity in substrate binding to nicotinate mononucleotide adenylyltransferase (NMAT) from Bacillus anthracis.
J.Mol.Biol., 385, 2009
2QX6
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BU of 2qx6 by Molmil
Crystal Structure of Quinone Reductase II
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D.
Deposit date:2007-08-10
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2.
Biochem.J., 413, 2008
2QIO
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BU of 2qio by Molmil
X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Bacillus Anthracis with Triclosan
Descriptor: Enoyl-(Acyl-carrier-protein) reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Klein, G.M, Santarsiero, B.D, Mesecar, A.D.
Deposit date:2007-07-05
Release date:2008-07-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Design and synthesis of aryl ether inhibitors of the Bacillus anthracis enoyl-ACP reductase.
Chemmedchem, 3, 2008
2QX8
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BU of 2qx8 by Molmil
Crystal Structure of Quinone Reductase II
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D.
Deposit date:2007-08-10
Release date:2008-09-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2.
Biochem.J., 413, 2008
2QWX
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BU of 2qwx by Molmil
Crystal Structure of Quinone Reductase II
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D.
Deposit date:2007-08-10
Release date:2008-04-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2.
Biochem.J., 413, 2008
2QX4
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BU of 2qx4 by Molmil
Crystal Structure of Quinone Reductase II
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D.
Deposit date:2007-08-10
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2.
Biochem.J., 413, 2008
2QTN
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BU of 2qtn by Molmil
Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase
Descriptor: GLYCEROL, MAGNESIUM ION, NICOTINATE MONONUCLEOTIDE, ...
Authors:Sershon, V.C, Santarsiero, B.D, Mesecar, A.D.
Deposit date:2007-08-02
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Kinetic and X-ray structural evidence for negative cooperativity in substrate binding to nicotinate mononucleotide adenylyltransferase (NMAT) from Bacillus anthracis.
J.Mol.Biol., 385, 2009
4NZ9
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BU of 4nz9 by Molmil
Crystal Structure of FabI from S. aureus in complex with a novel benzimidazole inhibitor
Descriptor: 1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, Enoyl-[acyl-carrier-protein] reductase [NADPH], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Mehboob, S, Johnson, M.E, Santarsiero, B.D.
Deposit date:2013-12-11
Release date:2014-12-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:To be published
To be Published
4PT5
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BU of 4pt5 by Molmil
Crystal structure of PLpro from Middle East Respiratory Syndrome (MERS) coronavirus
Descriptor: Papain-like protease, ZINC ION
Authors:Lei, H, Santarsiero, B.D, Lee, H, Johnson, M.E.
Deposit date:2014-03-10
Release date:2014-05-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of PLpro from Middle East Respiratory Syndrome (MERS) coronavirus
To be Published
3F4D
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BU of 3f4d by Molmil
Crystal structure of organophosphorus hydrolase from Geobacillus stearothermophilus strain 10
Descriptor: COBALT (II) ION, Organophosphorus hydrolase
Authors:Hawwa, R, Aikens, J, Turner, R.J, Santarsiero, B, Mesecar, A.
Deposit date:2008-10-31
Release date:2009-08-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural basis for thermostability revealed through the identification and characterization of a highly thermostable phosphotriesterase-like lactonase from Geobacillus stearothermophilus.
Arch.Biochem.Biophys., 488, 2009
3F4C
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BU of 3f4c by Molmil
Crystal structure of organophosphorus hydrolase from Geobacillus stearothermophilus strain 10, with glycerol bound
Descriptor: COBALT (II) ION, GLYCEROL, Organophosphorus hydrolase
Authors:Hawwa, R, Aikens, J, Turner, R.J, Santarsiero, B, Mesecar, A.
Deposit date:2008-10-31
Release date:2009-09-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural basis for thermostability revealed through the identification and characterization of a highly thermostable phosphotriesterase-like lactonase from Geobacillus stearothermophilus.
Arch.Biochem.Biophys., 488, 2009
6CN8
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BU of 6cn8 by Molmil
High-resolution structure of ClpC1-NTD binding to Rufomycin-I
Descriptor: ATP-dependent Clp protease ATP-binding subunit ClpC1, CHLORIDE ION, PHOSPHATE ION, ...
Authors:Abad-Zapatero, C, Wolf, N.W.
Deposit date:2018-03-07
Release date:2019-06-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-Resolution Structure of ClpC1-Rufomycin and Ligand Binding Studies Provide a Framework to Design and Optimize Anti-Tuberculosis Leads.
Acs Infect Dis., 5, 2019
5IRO
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BU of 5iro by Molmil
Crystal structure of a complex between the Human adenovirus type 4 E3-19K protein and MHC class molecule HLA-A2/TAX
Descriptor: Beta-2-microglobulin, E3 19 kDa protein, HLA class I histocompatibility antigen, ...
Authors:Li, L, Bouvier, M.
Deposit date:2016-03-14
Release date:2016-08-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structure of the Adenovirus Type 4 (Species E) E3-19K/HLA-A2 Complex Reveals Species-Specific Features in MHC Class I Recognition.
J Immunol., 197, 2016
1PHZ
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BU of 1phz by Molmil
STRUCTURE OF PHOSPHORYLATED PHENYLALANINE HYDROXYLASE
Descriptor: FE (III) ION, PROTEIN (PHENYLALANINE HYDROXYLASE)
Authors:Kobe, B, Jennings, I.G, House, C.M, Michell, B.J, Cotton, R.G, Kemp, B.E.
Deposit date:1998-11-11
Release date:1999-04-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of autoregulation of phenylalanine hydroxylase.
Nat.Struct.Biol., 6, 1999
1AXS
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BU of 1axs by Molmil
MATURE OXY-COPE CATALYTIC ANTIBODY WITH HAPTEN
Descriptor: (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL, CADMIUM ION, OXY-COPE CATALYTIC ANTIBODY
Authors:Mundorff, E.C, Ulrich, H.D, Stevens, R.C.
Deposit date:1997-10-20
Release date:1998-02-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The interplay between binding energy and catalysis in the evolution of a catalytic antibody.
Nature, 389, 1997
2PHM
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BU of 2phm by Molmil
STRUCTURE OF PHENYLALANINE HYDROXYLASE DEPHOSPHORYLATED
Descriptor: FE (III) ION, PROTEIN (PHENYLALANINE-4-HYDROXYLASE)
Authors:Kobe, B, Jennings, I.G, House, C.M, Michell, B.J, Cotton, R.G, Kemp, B.E.
Deposit date:1998-11-11
Release date:1999-04-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of autoregulation of phenylalanine hydroxylase.
Nat.Struct.Biol., 6, 1999
7TMK
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BU of 7tmk by Molmil
Porous framework formed by assembly of a bipyridyl-conjugated helical peptide
Descriptor: 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ...
Authors:Nguyen, A.I.
Deposit date:2022-01-19
Release date:2022-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.83 Å)
Cite:Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework.
J.Am.Chem.Soc., 144, 2022
7TLU
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BU of 7tlu by Molmil
Porous framework formed by assembly of a bipyridyl-conjugated helical peptide
Descriptor: 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ...
Authors:Nguyen, A.I.
Deposit date:2022-01-18
Release date:2022-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.79 Å)
Cite:Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework.
J.Am.Chem.Soc., 144, 2022
7TMH
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BU of 7tmh by Molmil
Porous framework formed by assembly of a bipyridyl-conjugated helical peptide
Descriptor: 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ...
Authors:Nguyen, A.I.
Deposit date:2022-01-19
Release date:2022-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.8 Å)
Cite:Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework.
J.Am.Chem.Soc., 144, 2022
7TML
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BU of 7tml by Molmil
Porous framework formed by assembly of a bipyridyl-conjugated helical peptide
Descriptor: 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ...
Authors:Nguyen, A.I.
Deposit date:2022-01-19
Release date:2022-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework.
J.Am.Chem.Soc., 144, 2022

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