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1B06
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BU of 1b06 by Molmil
SUPEROXIDE DISMUTASE FROM SULFOLOBUS ACIDOCALDARIUS
Descriptor: FE (III) ION, PROTEIN (SUPEROXIDE DISMUTASE)
Authors:Knapp, S, Kardinahl, S, Niklas, H, Tibbelin, G, Schafer, G, Ladenstein, R.
Deposit date:1998-11-16
Release date:1999-11-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Refined crystal structure of a superoxide dismutase from the hyperthermophilic archaeon Sulfolobus acidocaldarius at 2.2 A resolution.
J.Mol.Biol., 285, 1999
1EJB
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BU of 1ejb by Molmil
LUMAZINE SYNTHASE FROM SACCHAROMYCES CEREVISIAE
Descriptor: 5-(6-D-RIBITYLAMINO-2,4-DIHYDROXYPYRIMIDIN-5-YL)-1-PENTYL-PHOSPHONIC ACID, LUMAZINE SYNTHASE
Authors:Meining, W, Mortl, S, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R.
Deposit date:2000-03-02
Release date:2001-03-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The atomic structure of pentameric lumazine synthase from Saccharomyces cerevisiae at 1.85 A resolution reveals the binding mode of a phosphonate intermediate analogue.
J.Mol.Biol., 299, 2000
1W29
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BU of 1w29 by Molmil
Lumazine Synthase from Mycobacterium tuberculosis bound to 3-(1,3,7- trihydro-9-D-ribityl-2,6,8-purinetrione-7-yl)butane 1-phosphate
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 4-{2,6,8-TRIOXO-9-[(2R,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE, 4-{2,6,8-TRIOXO-9-[(2S,3R,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE, ...
Authors:Morgunova, E, Meining, W, Illarionov, B, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R.
Deposit date:2004-07-01
Release date:2005-03-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Lumazine Synthase from Mycobacterium Tuberculosis as a Target for Rational Drug Design: Binding Mode of a New Class of Purinetrione Inhibitors(,)
Biochemistry, 44, 2005
2P4W
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BU of 2p4w by Molmil
Crystal structure of heat shock regulator from Pyrococcus furiosus
Descriptor: SULFATE ION, Transcriptional regulatory protein arsR family
Authors:Liu, W, Vierke, G, Panjikar, S, Thomm, M, Ladenstein, R.
Deposit date:2007-03-13
Release date:2007-03-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of the Archaeal Heat Shock Regulator from Pyrococcus furiosus: A Molecular Chimera Representing Eukaryal and Bacterial Features.
J.Mol.Biol., 369, 2007
2PYA
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BU of 2pya by Molmil
Ultra-high resolution structure of P. abyssi rubredoxin W4L/R5S/A44S
Descriptor: FE (III) ION, Rubredoxin, SODIUM ION
Authors:Boenisch, H, Ladenstein, R.
Deposit date:2007-05-16
Release date:2008-04-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (0.86 Å)
Cite:Ultrahigh-resolution study on Pyrococcus abyssi rubredoxin: II. Introduction of an O-H...Sgamma-Fe hydrogen bond increased the reduction potential by 65 mV.
J.Biol.Inorg.Chem., 12, 2007
2JFB
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BU of 2jfb by Molmil
3D Structure of Lumazine Synthase from Candida albicans
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, PHOSPHATE ION
Authors:Morgunova, E, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R.
Deposit date:2007-01-30
Release date:2007-05-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Lumazine Synthase from Candida Albicans as an Anti- Fungal Target Enzyme: Structural and Biochemical Basis for Drug Design.
J.Biol.Chem., 282, 2007
2M11
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BU of 2m11 by Molmil
Structure of perimidinone-derived synthetic nucleoside paired with guanine in DNA duplex
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(D3N)P*GP*CP*G)-3')
Authors:Kowal, E.A, Lad, R, Pallan, P.S, Muffly, E, Wawrzak, Z, Egli, M, Sturla, S.J, Stone, M.P.
Deposit date:2012-11-09
Release date:2013-06-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Recognition of O6-benzyl-2'-deoxyguanosine by a perimidinone-derived synthetic nucleoside: a DNA interstrand stacking interaction.
Nucleic Acids Res., 41, 2013
4HQI
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BU of 4hqi by Molmil
Structure of O6-Benzyl-2'-deoxyguanosine opposite perimidinone-derived synthetic nucleoside in DNA duplex
Descriptor: SPERMINE, STRONTIUM ION, Short modified nucleic acids
Authors:Kowal, E.A, Lad, R, Pallan, P.S, Muffly, E, Wawrzak, Z, Egli, M, Sturla, S.J, Stone, M.P.
Deposit date:2012-10-25
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Recognition of O6-benzyl-2'-deoxyguanosine by a perimidinone-derived synthetic nucleoside: a DNA interstrand stacking interaction.
Nucleic Acids Res., 41, 2013
4OGX
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BU of 4ogx by Molmil
Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.4 Angstrom resolution
Descriptor: DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, Plasma kallikrein, ...
Authors:Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R.
Deposit date:2014-01-16
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014
1ZIS
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BU of 1zis by Molmil
Recombinant Lumazine synthase (hexagonal form)
Descriptor: 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION
Authors:Lopez-Jaramillo, F.J.
Deposit date:2005-04-27
Release date:2006-10-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of recombinant Lumazine synthase (hexagonal form)
To be Published
1ASP
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BU of 1asp by Molmil
X-RAY STRUCTURES AND MECHANISTIC IMPLICATIONS OF THREE FUNCTIONAL DERIVATIVES OF ASCORBATE OXIDASE FROM ZUCCHINI: REDUCED-, PEROXIDE-, AND AZIDE-FORMS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBATE OXIDASE, COPPER (II) ION, ...
Authors:Messerschmidt, A, Luecke, H, Huber, R.
Deposit date:1992-11-25
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:X-ray structures and mechanistic implications of three functional derivatives of ascorbate oxidase from zucchini. Reduced, peroxide and azide forms.
J.Mol.Biol., 230, 1993
1ASO
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BU of 1aso by Molmil
X-RAY STRUCTURES AND MECHANISTIC IMPLICATIONS OF THREE FUNCTIONAL DERIVATIVES OF ASCORBATE OXIDASE FROM ZUCCHINI: REDUCED-, PEROXIDE-, AND AZIDE-FORMS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBATE OXIDASE, COPPER (II) ION, ...
Authors:Messerschmidt, A, Luecke, H, Huber, R.
Deposit date:1992-11-25
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray structures and mechanistic implications of three functional derivatives of ascorbate oxidase from zucchini. Reduced, peroxide and azide forms.
J.Mol.Biol., 230, 1993
1ASQ
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BU of 1asq by Molmil
X-RAY STRUCTURES AND MECHANISTIC IMPLICATIONS OF THREE FUNCTIONAL DERIVATIVES OF ASCORBATE OXIDASE FROM ZUCCHINI: REDUCED-, PEROXIDE-, AND AZIDE-FORMS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBATE OXIDASE, AZIDE ION, ...
Authors:Messerschmidt, A, Luecke, H, Huber, R.
Deposit date:1992-11-25
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:X-ray structures and mechanistic implications of three functional derivatives of ascorbate oxidase from zucchini. Reduced, peroxide and azide forms.
J.Mol.Biol., 230, 1993
7REP
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BU of 7rep by Molmil
Crystal structure of an engineered variant of single-chain Penicillin G Acylase from Kluyvera cryocrescens (A1-Ac Rd3CHis)
Descriptor: CALCIUM ION, Penicillin G acylase, phenylmethanesulfonic acid
Authors:Orth, P.
Deposit date:2021-07-13
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.192 Å)
Cite:A chemoenzymatic strategy for site-selective functionalization of native peptides and proteins.
Science, 376, 2022
7REO
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BU of 7reo by Molmil
Crystal structure of an engineered variant of single-chain Penicillin G Acylase from Kluyvera cryocrescens (global hydrolysis Rd3CHis)
Descriptor: CALCIUM ION, Penicillin G Acylase
Authors:Orth, P.
Deposit date:2021-07-13
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.812 Å)
Cite:A chemoenzymatic strategy for site-selective functionalization of native peptides and proteins.
Science, 376, 2022
1GNE
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BU of 1gne by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF GLUTATHIONE S-TRANSFERASE OF SCHISTOSOMA JAPONICUM FUSED WITH A CONSERVED NEUTRALIZING EPITOPE ON GP41 OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1
Descriptor: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE
Authors:Lim, K, Ho, J.X, Keeling, K, Gilliland, G.L, Ji, X, Ruker, F, Carter, D.C.
Deposit date:1994-06-16
Release date:1994-11-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three-dimensional structure of Schistosoma japonicum glutathione S-transferase fused with a six-amino acid conserved neutralizing epitope of gp41 from HIV.
Protein Sci., 3, 1994
8GSS
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BU of 8gss by Molmil
Human glutathione S-transferase P1-1, complex with glutathione
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1, ...
Authors:Oakley, A, Parker, M.
Deposit date:1997-08-14
Release date:1998-09-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
9GSS
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BU of 9gss by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH S-HEXYL GLUTATHIONE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE P1-1, S-HEXYLGLUTATHIONE, ...
Authors:Oakley, A, Parker, M.
Deposit date:1997-08-14
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
1AQW
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BU of 1aqw by Molmil
GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE
Authors:Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W.
Deposit date:1997-08-03
Release date:1998-03-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor.
Structure, 5, 1997
1AQX
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BU of 1aqx by Molmil
GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH MEISENHEIMER COMPLEX
Descriptor: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE
Authors:Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W.
Deposit date:1997-08-03
Release date:1998-03-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor.
Structure, 5, 1997
1PGT
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BU of 1pgt by Molmil
CRYSTAL STRUCTURE OF HUMAN GLUTATHIONE S-TRANSFERASE P1-1[V104] COMPLEXED WITH S-HEXYLGLUTATHIONE
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE
Authors:Ji, X.
Deposit date:1997-02-17
Release date:1997-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and function of the xenobiotic substrate-binding site and location of a potential non-substrate-binding site in a class pi glutathione S-transferase.
Biochemistry, 36, 1997
4PGT
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BU of 4pgt by Molmil
CRYSTAL STRUCTURE OF HGSTP1-1[V104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID, PROTEIN (GLUTATHIONE S-TRANSFERASE), ...
Authors:Ji, X, Blaszczyk, J.
Deposit date:1999-03-22
Release date:1999-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and function of residue 104 and water molecules in the xenobiotic substrate-binding site in human glutathione S-transferase P1-1.
Biochemistry, 38, 1999
5GSS
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BU of 5gss by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1
Authors:Oakley, A, Parker, M.
Deposit date:1997-08-11
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
8DOH
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BU of 8doh by Molmil
Dehaloperoxidase B in complex with Bisphenol F
Descriptor: 4,4'-methylenediphenol, Dehaloperoxidase B, GLYCEROL, ...
Authors:de Serrano, V.S, Yun, D, Ghiladi, R.
Deposit date:2022-07-13
Release date:2022-11-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase.
J.Inorg.Biochem., 238, 2023
8DOG
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BU of 8dog by Molmil
Dehaloperoxidase B in complex with Bisphenol E
Descriptor: 4-[1-(4-hydroxyphenyl)ethyl]phenol, Dehaloperoxidase B, GLYCEROL, ...
Authors:de Serrano, V.S, Yun, D, Ghiladi, R.
Deposit date:2022-07-13
Release date:2022-11-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase.
J.Inorg.Biochem., 238, 2023

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