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PDB: 440 results
2H1U
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BU of 2h1u by Molmil
Porcine pancreatic elastase complexed with MetPheLeuGlu at pH 5.0
Descriptor: CALCIUM ION, Elastase-1, MFLE, ...
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2006-05-17
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analyses on intermediates in serine protease catalysis.
J.Biol.Chem., 281, 2006
8A4G
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BU of 8a4g by Molmil
IPNS H270E variant in complex with Cd and ACV
Descriptor: CADMIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2022-06-11
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:IPNS H270E variant in complex with Cd and ACV
To Be Published
1UPB
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BU of 1upb by Molmil
Carboxyethylarginine synthase from Streptomyces clavuligerus
Descriptor: CARBOXYETHYLARGININE SYNTHASE, MAGNESIUM ION, SULFATE ION, ...
Authors:Caines, M.E.C, Elkins, J.M, Hewitson, K.S, Schofield, C.J.
Deposit date:2003-09-29
Release date:2003-11-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure and Mechanistic Implications of N2-(2-Carboxyethyl)Arginine Synthase, the First Enzyme in the Clavulanic Acid Biosynthesis Pathway
J.Biol.Chem., 279, 2004
7ZOE
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BU of 7zoe by Molmil
IPNS H270E variant in complex with Fe and ACV under anaerobic conditions
Descriptor: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2022-04-25
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:IPNS H270E variant in complex with Fe and ACV under anaerobic conditions
To Be Published
2Y34
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BU of 2y34 by Molmil
S-nitrosylated PHD2 (NO exposed) in complex with Fe(II) and UN9
Descriptor: EGL NINE HOMOLOG 1, FE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Authors:Chowdhury, R, McDonough, M.A, Schofield, C.J.
Deposit date:2010-12-18
Release date:2010-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Studies on the reaction of nitric oxide with the hypoxia-inducible factor prolyl hydroxylase domain 2 (EGLN1).
J. Mol. Biol., 410, 2011
2Y33
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BU of 2y33 by Molmil
S-nitrosylated PHD2 (GSNO soaked) in complex with Zn(II) and UN9
Descriptor: EGL NINE HOMOLOG 1, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ZINC ION
Authors:Chowdhury, R, Clifton, I.J, Schofield, C.J.
Deposit date:2010-12-18
Release date:2010-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Studies on the Reaction of Nitric Oxide with the Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 (Egln1)
J.Mol.Biol., 410, 2011
8A1J
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BU of 8a1j by Molmil
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with maleimide analogue 3
Descriptor: 1,2-ETHANEDIOL, 1-phenylpyrrolidine-2,5-dione, DIMETHYL SULFOXIDE, ...
Authors:de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J.
Deposit date:2022-06-01
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
8A1N
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BU of 8a1n by Molmil
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with fumaryl amide analogue 13
Descriptor: (Z)-N-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J.
Deposit date:2022-06-01
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
8A1M
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BU of 8a1m by Molmil
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with maleimide analogue 4
Descriptor: 1,2-ETHANEDIOL, 1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione, CHLORIDE ION, ...
Authors:de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J.
Deposit date:2022-06-01
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
8A1L
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BU of 8a1l by Molmil
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with alpha-chloro ketone 2
Descriptor: (phenylmethyl) N-[(3S,4S)-4-methyl-2-oxidanylidene-hexan-3-yl]carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J.
Deposit date:2022-06-01
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
8A1K
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BU of 8a1k by Molmil
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with ebsulfur analogue 15
Descriptor: 1,2-ETHANEDIOL, 4,5-bis(chloranyl)-N-(2-hydroxyethyl)-2-sulfanyl-benzamide, DIMETHYL SULFOXIDE, ...
Authors:de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J.
Deposit date:2022-06-01
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
8A1O
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BU of 8a1o by Molmil
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with acrylamide analogue 8
Descriptor: (E)-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-N-(5-methoxypyridin-2-yl)prop-2-enamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J.
Deposit date:2022-06-01
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
2IHU
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BU of 2ihu by Molmil
Carboxyethylarginine synthase from Streptomyces clavuligerus: putative reaction intermediate complex
Descriptor: (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-[(1Z)-1-HYDROXY-3-(PHOSPHONOOXY)PROP-1-EN-1-YL]-3-{[(4Z)-4-IMINO-2- METHYL-4,5-DIHYDROPYRIMIDIN-5-YL]METHYL}-4-METHYL-1,3-THIAZOL-3-IUM, Carboxyethylarginine synthase, ...
Authors:Caines, M.E, Schofield, C.J.
Deposit date:2006-09-27
Release date:2007-11-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and mechanistic studies on N(2)-(2-carboxyethyl)arginine synthase.
Biochem.Biophys.Res.Commun., 385, 2009
2IHT
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BU of 2iht by Molmil
Carboxyethylarginine synthase from Streptomyces clavuligerus: SeMet structure
Descriptor: Carboxyethylarginine synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Caines, M.E, Schofield, C.J.
Deposit date:2006-09-27
Release date:2007-09-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and mechanistic studies on N(2)-(2-carboxyethyl)arginine synthase.
Biochem.Biophys.Res.Commun., 385, 2009
2IHV
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BU of 2ihv by Molmil
Carboxyethylarginine synthase from Streptomyces clavuligerus: 5-guanidinovaleric acid complex
Descriptor: 5-{[AMINO(IMINO)METHYL]AMINO}PENTANOIC ACID, Carboxyethylarginine synthase, MAGNESIUM ION, ...
Authors:Caines, M.E, Schofield, C.J.
Deposit date:2006-09-27
Release date:2007-09-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and mechanistic studies on N(2)-(2-carboxyethyl)arginine synthase.
Biochem.Biophys.Res.Commun., 385, 2009
8AHO
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BU of 8aho by Molmil
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with cyanamide analogue 31
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, NITRATE ION, ...
Authors:de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J.
Deposit date:2022-07-22
Release date:2023-08-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
2JAH
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BU of 2jah by Molmil
Biochemical and structural analysis of the Clavulanic acid dehydeogenase (CAD) from Streptomyces clavuligerus
Descriptor: CLAVULANIC ACID DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:MacKenzie, A.K, Kershaw, N.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Andersson, I.
Deposit date:2006-11-28
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Clavulanic Acid Dehydrogenase: Structural and Biochemical Analysis of the Final Step in the Biosynthesis of the Beta-Lactamase Inhibitor Clavulanic Acid
Biochemistry, 46, 2007
2JAP
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BU of 2jap by Molmil
Clavulanic Acid Dehydrogenase: Structural and Biochemical Analysis of the Final Step in the Biosynthesis of the beta-Lactamase Inhibitor Clavulanic acid
Descriptor: (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, CLAVALDEHYDE DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:MacKenzie, A.K, Kershaw, N.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Andersson, I.
Deposit date:2006-11-29
Release date:2007-02-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Clavulanic Acid Dehydrogenase: Structural and Biochemical Analysis of the Final Step in the Biosynthesis of the Beta-Lactamase Inhibitor Clavulanic Acid
Biochemistry, 46, 2007
8BBB
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BU of 8bbb by Molmil
IPNS H270A variant in complex with ACV exposed to O2
Descriptor: Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, SULFATE ION
Authors:Rabe, P, Schofield, C.J.
Deposit date:2022-10-12
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:IPNS H270A variant in complex with ACV exposed to O2
To Be Published
8BBA
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BU of 8bba by Molmil
IPNS H270N variant in complex with Fe and ACV under anaerobic conditions
Descriptor: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2022-10-12
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:IPNS H270N variant in complex with Fe and ACV under anaerobic conditions
To Be Published
8BBD
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BU of 8bbd by Molmil
IPNS H270Q variant in complex with ACV after O2 exposure
Descriptor: Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, SULFATE ION
Authors:Rabe, P, Schofield, C.J.
Deposit date:2022-10-12
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:IPNS H270Q variant in complex ACV after O2 exposure
To Be Published
8BB9
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BU of 8bb9 by Molmil
IPNS H270N variant in complex with Fe and ACV after O2 exposure
Descriptor: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2022-10-12
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:IPNS H270N variant in complex with Fe and ACV after O2 exposure
To Be Published
8BBC
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BU of 8bbc by Molmil
IPNS H270A variant in complex with Fe and ACV under anaerobic conditions
Descriptor: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2022-10-12
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:IPNS H270A variant in complex with Fe and ACV under anaerobic conditions
To Be Published
8BK3
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BU of 8bk3 by Molmil
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with diepoxide ketone 1
Descriptor: 1,2-ETHANEDIOL, 1-[(2~{S},3~{R})-3-phenyloxiran-2-yl]ethanone, DIMETHYL SULFOXIDE, ...
Authors:de Munnik, M, Schofield, C.J.
Deposit date:2022-11-08
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:alpha beta , alpha ' beta '-Diepoxyketones are mechanism-based inhibitors of nucleophilic cysteine enzymes.
Chem.Commun.(Camb.), 59, 2023
8BSY
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BU of 8bsy by Molmil
IPNS H270D variant in complex with Fe and ACV after 30s O2 exposure
Descriptor: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2022-11-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:IPNS H270D variant in complex with Fe and ACV after 30s O2 exposure
To Be Published

219869

PDB entries from 2024-05-15

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