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1GEU
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BU of 1geu by Molmil
ANATOMY OF AN ENGINEERED NAD-BINDING SITE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Mittl, P.R.E, Schulz, G.E.
Deposit date:1994-01-18
Release date:1994-11-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anatomy of an engineered NAD-binding site.
Protein Sci., 3, 1994
1VYS
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BU of 1vys by Molmil
STRUCTURE OF PENTAERYTHRITOL TETRANITRATE REDUCTASE W102Y MUTANT AND COMPLEXED WITH PICRIC ACID
Descriptor: FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, PICRIC ACID
Authors:Barna, T, Moody, P.C.E.
Deposit date:2004-05-05
Release date:2004-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Atomic Resolution Structures and Solution Behavior of Enzyme-Substrate Complexes of Enterobacter Cloacae Pb2 Pentaerythritol Tetranitrate Reductase: Multiple Conformational States and Implications for the Mechanism of Nitroaromatic Explosive Degradation
J.Biol.Chem., 279, 2004
3ZQY
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BU of 3zqy by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND L16A VARIANT AT 1.03 A RESOLUTION- NON-RESTRAINT REFINEMENT
Descriptor: CARBON MONOXIDE, CYTOCHROME C', HEME C
Authors:Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
Deposit date:2011-06-12
Release date:2011-10-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
1GVS
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BU of 1gvs by Molmil
Structure of pentaerythritol tetranitrate reductase and complexed with picric acid
Descriptor: FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, PICRIC ACID
Authors:Barna, T, Moody, P.C.E.
Deposit date:2002-02-27
Release date:2003-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Kinetic and Structural Basis of Reactivity of Pentaerythritol Tetranitrate Reductase with Nadph,2-Cyclohexenone Nitroesters and Nitroaromatic Explosives
J.Biol.Chem., 277, 2002
1GVR
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BU of 1gvr by Molmil
STRUCTURE OF PENTAERYTHRITOL TETRANITRATE REDUCTASE AND COMPLEXED WITH 2,4,6 TRINITROTOLUENE
Descriptor: 2,4,6-TRINITROTOLUENE, FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE
Authors:Barna, T, Moody, P.C.E.
Deposit date:2002-02-27
Release date:2003-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Kinetic and Structural Basis of Reactivity of Pentaerythritol Tetranitrate Reductase with Nadph,2-Cyclohexenone Nitroesters and Nitroaromatic Explosives
J.Biol.Chem., 277, 2002
1GVO
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BU of 1gvo by Molmil
STRUCTURE OF PENTAERYTHRITOL TETRANITRATE REDUCTASE AND COMPLEXED WITH 2,4 DINITROPHENOL
Descriptor: 2,4-DINITROPHENOL, FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE
Authors:Barna, T, Moody, P.C.E.
Deposit date:2002-02-22
Release date:2003-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Kinetic and Structural Basis of Reactivity of Pentaerythritol Tetranitrate Reductase with Nadph,2-Cyclohexenone Nitroesters and Nitroaromatic Explosives
J.Biol.Chem., 277, 2002
2Q7Q
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BU of 2q7q by Molmil
Crystal structure of Alcaligenes faecalis AADH in complex with p-chlorobenzylamine.
Descriptor: 1-(4-CHLOROPHENYL)METHANAMINE, Aralkylamine dehydrogenase heavy chain, Aralkylamine dehydrogenase light chain
Authors:Roujeinikova, A, Leys, D.
Deposit date:2007-06-07
Release date:2007-07-31
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Isotope effects reveal that para-substituted benzylamines are poor reactivity probes of the quinoprotein mechanism for aromatic amine dehydrogenase.
Biochemistry, 46, 2007
1GET
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BU of 1get by Molmil
ANATOMY OF AN ENGINEERED NAD-BINDING SITE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Mittl, P.R.E, Schulz, G.E.
Deposit date:1994-01-18
Release date:1994-11-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Anatomy of an engineered NAD-binding site.
Protein Sci., 3, 1994
1H51
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BU of 1h51 by Molmil
Oxidised Pentaerythritol Tetranitrate Reductase (SCN complex)
Descriptor: FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, THIOCYANATE ION
Authors:Barna, T, Moody, P.C.E.
Deposit date:2001-05-17
Release date:2003-10-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Pentaerythritol Tetranitrate Reductase: "Flipped" Binding Geometries for Steroid Substrates in Different Redox States of the Enzyme
J.Mol.Biol., 310, 2001
1H50
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BU of 1h50 by Molmil
Structure of Pentaerythritol Tetranitrate Reductase and complexes
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE
Authors:Barna, T, Moody, P.C.E.
Deposit date:2001-05-17
Release date:2001-07-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Pentaerythritol Tetranitrate Reductase: "Flipped" Binding Geometries for Steroid Substrates in Different Redox States of the Enzyme
J.Mol.Biol., 310, 2001
8J2Y
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BU of 8j2y by Molmil
Acidimicrobiaceae bacterium photocobilins protein, dark state
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhang, S, Poddar, H, Levy, W.C, Leys, D.
Deposit date:2023-04-15
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Photocobilins integrate B12 and bilin photochemistry for enzyme control.
Nat Commun, 15, 2024
8J2X
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BU of 8j2x by Molmil
Saccharothrix syringae photocobilins protein, light state
Descriptor: BILIVERDINE IX ALPHA, COBALAMIN, Cobalamin-binding protein, ...
Authors:Zhang, S, Poddar, H, Levy, C, Leys, D.
Deposit date:2023-04-15
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Photocobilins integrate B12 and bilin photochemistry for enzyme control.
Nat Commun, 15, 2024
7QXK
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BU of 7qxk by Molmil
As isolated MSOX movie series dataset 1 (0.4 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain)
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
Authors:Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S.
Deposit date:2022-01-26
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
8J2W
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BU of 8j2w by Molmil
Saccharothrix syringae photocobilins protein, dark state
Descriptor: 1,4-DIETHYLENE DIOXIDE, 5'-DEOXYADENOSINE, BILIVERDINE IX ALPHA, ...
Authors:Zhang, S, Poddar, H, Levy, W.C, Leys, D.
Deposit date:2023-04-15
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Photocobilins integrate B12 and bilin photochemistry for enzyme control.
Nat Commun, 15, 2024
6I3C
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BU of 6i3c by Molmil
Crystal structure of Human soluble catechol O-methyltransferase in complex with 3,5-dinitrocatechol and S-adensoyl-L-methionine
Descriptor: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Levy, C.W.
Deposit date:2018-11-05
Release date:2019-09-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.336 Å)
Cite:Equatorial Active Site Compaction and Electrostatic Reorganization in Catechol-O-methyltransferase.
Acs Catalysis, 9, 2019
6I3D
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BU of 6i3d by Molmil
Crystal structure of Human soluble catechol O-methyltransferase in complex with 3,5-dinitrocatechol and Sinefungin
Descriptor: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Levy, C.W.
Deposit date:2018-11-05
Release date:2019-09-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Equatorial Active Site Compaction and Electrostatic Reorganization in Catechol-O-methyltransferase.
Acs Catalysis, 9, 2019
4CFS
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BU of 4cfs by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH ITS NATURAL SUBSTRATE 1-H-3-HYDROXY-4- OXOQUINALDINE
Descriptor: 1-H-3-HYDROXY-4-OXOQUINALDINE 2,4-DIOXYGENASE, 3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE, D(-)-TARTARIC ACID, ...
Authors:Bui, S, Steiner, R.A.
Deposit date:2013-11-19
Release date:2013-12-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Origin of the Proton-Transfer Step in the Cofactor-Free 1-H-3-Hydroxy-4-Oxoquinaldine 2,4- Dioxygenase: Effect of the Basicity of an Active Site His Residue.
J.Biol.Chem., 289, 2014
2IUP
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BU of 2iup by Molmil
CRYSTAL STRUCTURE OF DITHIONITE-REDUCED AROMATIC AMINE DEHYDROGENASE (AADH) FROM ALCALIGENES FAECALIS
Descriptor: AROMATIC AMINE DEHYDROGENASE ALPHA SUBUNIT, AROMATIC AMINE DEHYDROGENASE BETA SUBUNIT
Authors:Roujeinikova, A, Scrutton, N, Leys, D.
Deposit date:2006-06-07
Release date:2006-09-20
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Atomic level insight into the oxidative half-reaction of aromatic amine dehydrogenase.
J. Biol. Chem., 281, 2006
2IUV
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BU of 2iuv by Molmil
CRYSTAL STRUCTURE OF N-QUINOL FORM OF AROMATIC AMINE DEHYDROGENASE (AADH) FROM ALCALIGENES FAECALIS, FORM B
Descriptor: AROMATIC AMINE DEHYDROGENASE ALPHA SUBUNIT, AROMATIC AMINE DEHYDROGENASE BETA SUBUNIT
Authors:Roujeinikova, A, Scrutton, N, Leys, D.
Deposit date:2006-06-07
Release date:2006-09-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Atomic level insight into the oxidative half-reaction of aromatic amine dehydrogenase.
J. Biol. Chem., 281, 2006
7QY4
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BU of 7qy4 by Molmil
As isolated MSOX movie series dataset 5 (2 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain)
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
Authors:Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S.
Deposit date:2022-01-27
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
7QYC
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BU of 7qyc by Molmil
As isolated MSOX movie series dataset 20 (8 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain)
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
Authors:Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S.
Deposit date:2022-01-27
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
1GWJ
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BU of 1gwj by Molmil
Morphinone reductase
Descriptor: FLAVIN MONONUCLEOTIDE, MORPHINONE REDUCTASE
Authors:Barna, T.M, Moody, P.C.E.
Deposit date:2002-03-18
Release date:2002-06-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Bacterial Morphinone Reductase and Properties of the C191A Mutant Enzyme.
J.Biol.Chem., 277, 2002
1H63
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BU of 1h63 by Molmil
Structure of the reduced Pentaerythritol Tetranitrate Reductase
Descriptor: FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE
Authors:Barna, T.M, Moody, P.C.E.
Deposit date:2001-06-04
Release date:2001-07-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal Structure of Pentaerythritol Tetranitrate Reductase: "Flipped" Binding Geometries for Steroid Substrates in Different Redox States of the Enzyme
J.Mol.Biol., 310, 2001
1H60
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BU of 1h60 by Molmil
Structure of Pentaerythritol Tetranitrate Reductase in complex with progesterone
Descriptor: FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, PROGESTERONE
Authors:Barna, T.M, Moody, P.C.E.
Deposit date:2001-06-04
Release date:2001-07-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Pentaerythritol Tetranitrate Reductase: "Flipped" Binding Geometries for Steroid Substrates in Different Redox States of the Enzyme
J.Mol.Biol., 310, 2001
1H62
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BU of 1h62 by Molmil
Structure of Pentaerythritol tetranitrate reductase in complex with 1,4-androstadien-3,17-dione
Descriptor: ANDROSTA-1,4-DIENE-3,17-DIONE, FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE
Authors:Barna, T.M, Moody, P.C.E.
Deposit date:2001-06-04
Release date:2001-07-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Pentaerythritol Tetranitrate Reductase: "Flipped" Binding Geometries for Steroid Substrates in Different Redox States of the Enzyme
J.Mol.Biol., 310, 2001

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