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4LUW
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BU of 4luw by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-((((3R,5S)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-07-25
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and biological studies on bacterial nitric oxide synthase inhibitors.
Proc.Natl.Acad.Sci.USA, 110, 2013
4NSE
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BU of 4nse by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, L-ARG COMPLEX
Descriptor: ACETATE ION, ARGININE, CACODYLATE ION, ...
Authors:Raman, C.S, Li, H, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L.
Deposit date:1998-10-07
Release date:1999-05-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of constitutive endothelial nitric oxide synthase: a paradigm for pterin function involving a novel metal center.
Cell(Cambridge,Mass.), 95, 1998
4OXX
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BU of 4oxx by Molmil
Crystal Structure of Cindoxin, Surface Entropy reduction Mutant
Descriptor: Cindoxin, FLAVIN MONONUCLEOTIDE
Authors:Madrona, Y, Poulos, T.L.
Deposit date:2014-02-07
Release date:2014-04-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Crystal structure of cindoxin, the P450cin redox partner.
Biochemistry, 53, 2014
6CP4
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BU of 6cp4 by Molmil
P450CAM D251N MUTANT
Descriptor: CAMPHOR, CYTOCHROME P450CAM, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:1998-05-28
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Understanding the role of the essential Asp251 in cytochrome p450cam using site-directed mutagenesis, crystallography, and kinetic solvent isotope effect.
Biochemistry, 37, 1998
6WE6
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BU of 6we6 by Molmil
Camphor bound P450cam D251E structure
Descriptor: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Amaya, J.A, Poulos, T.L, Batabyal, D.
Deposit date:2020-04-01
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020
6WFL
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BU of 6wfl by Molmil
Camphor soaked P450cam D251E
Descriptor: 5-EXO-HYDROXYCAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Amaya, J.A, Poulos, T.L, Batabyal, D.
Deposit date:2020-04-03
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020
6WGW
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BU of 6wgw by Molmil
CYP101D1 D259E Hydroxycamphor bound
Descriptor: 5-EXO-HYDROXYCAMPHOR, CAMPHOR, Cytochrome P450 101D1, ...
Authors:Amaya, J.A, Poulos, T.L, Batabyal, D.
Deposit date:2020-04-06
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020
6WPL
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BU of 6wpl by Molmil
Structure of Cytochrome P450tcu
Descriptor: 5-EXO-HYDROXYCAMPHOR, Cytochrome P-450cam, subunit of camphor 5-monooxygenase system, ...
Authors:Murarka, V.C, Batabyal, D, Amaya, J.A, Sevrioukova, I.F, Poulos, T.L.
Deposit date:2020-04-27
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Unexpected Differences between Two Closely Related Bacterial P450 Camphor Monooxygenases.
Biochemistry, 59, 2020
6XCX
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BU of 6xcx by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with N2-((3-((2-aminoquinolin-7-yl)methoxy)phenoxy)methyl)pyridine-2,6-diamine
Descriptor: 7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Lewis, M.C, Poulos, T.L.
Deposit date:2020-06-09
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2520268 Å)
Cite:Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
6XK8
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BU of 6xk8 by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((3-((((6-aminopyridin-2-yl)methyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Lewis, M.C, Poulos, T.L.
Deposit date:2020-06-25
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
6XK7
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BU of 6xk7 by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(2-(6-aminopyridin-2-yl)ethyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, CHLORIDE ION, GLYCEROL, ...
Authors:Lewis, M.C, Poulos, T.L.
Deposit date:2020-06-25
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
6XK4
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BU of 6xk4 by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((3-(6-aminopyridin-2-yl)propyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, GLYCEROL, ...
Authors:Lewis, M.C, Poulos, T.L.
Deposit date:2020-06-25
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
6XK3
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BU of 6xk3 by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((pyridin-2-ylmethyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Lewis, M.C, Poulos, T.L.
Deposit date:2020-06-25
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
6XK6
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BU of 6xk6 by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((2-(pyridin-2-yl)ethyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, GLYCEROL, ...
Authors:Lewis, M.C, Poulos, T.L.
Deposit date:2020-06-25
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
6XK5
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BU of 6xk5 by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((4-(6-aminopyridin-2-yl)butyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, GLYCEROL, ...
Authors:Lewis, M.C, Poulos, T.L.
Deposit date:2020-06-25
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
6XMC
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BU of 6xmc by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(2-(6-aminopyridin-2-yl)ethyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, CHLORIDE ION, GLYCEROL, ...
Authors:Lewis, M.C, Poulos, T.L.
Deposit date:2020-06-30
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
1I83
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BU of 1i83 by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE (H4B FREE)
Descriptor: ACETATE ION, GLYCEROL, N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE, ...
Authors:Raman, C.S, Li, H, Martasek, P, Babu, B.R, Griffith, O.W, Masters, B.S.S, Poulos, T.L.
Deposit date:2001-03-12
Release date:2001-08-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase.
J.Biol.Chem., 276, 2001
1JCI
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BU of 1jci by Molmil
Stabilization of the Engineered Cation-binding Loop in Cytochrome c Peroxidase (CcP)
Descriptor: Cytochrome C Peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bhaskar, B, Bonagura, C.A, Li, H, Poulos, T.L.
Deposit date:2001-06-09
Release date:2002-03-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cation-induced stabilization of the engineered cation-binding loop in cytochrome c peroxidase (CcP).
Biochemistry, 41, 2002
5CP4
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BU of 5cp4 by Molmil
CRYOGENIC STRUCTURE OF P450CAM
Descriptor: CAMPHOR, CYTOCHROME P450CAM, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:1998-05-28
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Understanding the role of the essential Asp251 in cytochrome p450cam using site-directed mutagenesis, crystallography, and kinetic solvent isotope effect.
Biochemistry, 37, 1998
1Z8Q
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BU of 1z8q by Molmil
Ferrous dioxygen complex of the A245T cytochrome P450eryF
Descriptor: 6-DEOXYERYTHRONOLIDE B, 6-deoxyerythronolide B hydroxylase, OXYGEN MOLECULE, ...
Authors:Nagano, S, Cupp-Vickery, J.R, Poulos, T.L.
Deposit date:2005-03-31
Release date:2005-04-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the ferrous dioxygen complex of wild-type cytochrome P450eryF and its mutants, A245S and A245T: investigation of the proton transfer system in P450eryF.
J.Biol.Chem., 280, 2005
1Z8O
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BU of 1z8o by Molmil
Ferrous dioxygen complex of the wild-type cytochrome P450eryF
Descriptor: 6-DEOXYERYTHRONOLIDE B, 6-deoxyerythronolide B hydroxylase, OXYGEN MOLECULE, ...
Authors:Nagano, S, Cupp-Vickery, J.R, Poulos, T.L.
Deposit date:2005-03-31
Release date:2005-04-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of the ferrous dioxygen complex of wild-type cytochrome P450eryF and its mutants, A245S and A245T: investigation of the proton transfer system in P450eryF.
J.Biol.Chem., 280, 2005
1Z53
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BU of 1z53 by Molmil
The 1.13 Angstrom Structure of Iron-free Cytochrome c Peroxidase
Descriptor: Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX
Authors:Bhaskar, B, Poulos, T.L.
Deposit date:2005-03-17
Release date:2005-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:The 1.13-A structure of iron-free cytochrome c peroxidase.
J.Biol.Inorg.Chem., 10, 2005
1ATJ
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BU of 1atj by Molmil
RECOMBINANT HORSERADISH PEROXIDASE C1A
Descriptor: CALCIUM ION, PEROXIDASE C1A, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gajhede, M, Schuller, D.J, Henriksen, A, Smith, A.T, Poulos, T.L.
Deposit date:1997-08-14
Release date:1998-02-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of horseradish peroxidase C at 2.15 A resolution.
Nat.Struct.Biol., 4, 1997
1BVY
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BU of 1bvy by Molmil
COMPLEX OF THE HEME AND FMN-BINDING DOMAINS OF THE CYTOCHROME P450(BM-3)
Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, PROTEIN (CYTOCHROME P450 BM-3), ...
Authors:Sevrioukova, I.F, Li, H, Zhang, H, Peterson, J.A, Poulos, T.L.
Deposit date:1998-09-21
Release date:1999-02-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure of a cytochrome P450-redox partner electron-transfer complex.
Proc.Natl.Acad.Sci.USA, 96, 1999
1N45
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BU of 1n45 by Molmil
X-RAY CRYSTAL STRUCTURE OF HUMAN HEME OXYGENASE-1 (HO-1) IN COMPLEX WITH ITS SUBSTRATE HEME
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, heme oxygenase 1
Authors:Schuller, D.J, Wilks, A, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2002-10-30
Release date:2002-11-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Comparison of the heme-free and -bound crystal structures of human heme oxygenase-1.
J. Biol. Chem., 278, 2003

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