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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
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
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
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
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
2V4I
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BU of 2v4i by Molmil
Structure of a novel N-acyl-enzyme intermediate of an N-terminal nucleophile (Ntn) hydrolase, OAT2
Descriptor: GLUTAMATE N-ACETYLTRANSFERASE 2 ALPHA CHAIN, GLUTAMATE N-ACETYLTRANSFERASE 2 BETA CHAIN
Authors:Iqbal, A, Clifton, I.J, Schofield, C.J.
Deposit date:2008-09-22
Release date:2008-10-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a Novel N-Acyl-Enzyme Intermediate of an N-Terminal Nucleophile (Ntn) Hydrolase, Oat2
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
8BSX
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BU of 8bsx by Molmil
IPNS H270D variant in complex with Fe and ACV after 10 min 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 (1.38 Å)
Cite:IPNS H270D variant in complex with Fe and ACV after 10 min O2 exposure
To Be Published
8BSW
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BU of 8bsw by Molmil
IPNS H270Q 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:2022-11-29
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:IPNS H270Q variant in complex with Fe and ACV under anaerobic conditions
To Be Published
8BSV
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BU of 8bsv by Molmil
IPNS H270D 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:2022-11-29
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:IPNS H270D variant in complex with Fe and ACV under anaerobic conditions
To Be Published
1GVK
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BU of 1gvk by Molmil
Porcine pancreatic elastase acyl enzyme at 0.95 A resolution
Descriptor: CALCIUM ION, ELASTASE 1, PEPTIDE INHIBITOR, ...
Authors:Katona, G, Wilmouth, R.C, Wright, P.A, Berglund, G.I, Hajdu, J, Neutze, R, Schofield, C.J.
Deposit date:2002-02-14
Release date:2002-07-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:X-Ray Structure of a Serine Protease Acyl-Enzyme Complex at 0.95-A Resolution.
J.Biol.Chem., 277, 2002
1GQ7
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BU of 1gq7 by Molmil
PROCLAVAMINATE AMIDINO HYDROLASE FROM STREPTOMYCES CLAVULIGERUS
Descriptor: MANGANESE (II) ION, PROCLAVAMINATE AMIDINO HYDROLASE
Authors:Elkins, J.M, Clifton, I.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Hewitson, K.S.
Deposit date:2001-11-20
Release date:2002-06-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Oligomeric structure of proclavaminic acid amidino hydrolase: evolution of a hydrolytic enzyme in clavulanic acid biosynthesis.
Biochem. J., 366, 2002
1H2K
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BU of 1h2k by Molmil
Factor Inhibiting HIF-1 alpha in complex with HIF-1 alpha fragment peptide
Descriptor: FACTOR INHIBITING HIF1, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA, ...
Authors:Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J.
Deposit date:2002-08-12
Release date:2002-11-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha
J.Biol.Chem., 278, 2003
1H2M
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BU of 1h2m by Molmil
Factor Inhibiting HIF-1 alpha in complex with HIF-1 alpha fragment peptide
Descriptor: FACTOR INHIBITING HIF1, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA, N-OXALYLGLYCINE, ...
Authors:Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J.
Deposit date:2002-08-12
Release date:2002-11-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha
J.Biol.Chem., 278, 2003
1H2N
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BU of 1h2n by Molmil
Factor Inhibiting HIF-1 alpha
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ...
Authors:Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J.
Deposit date:2002-08-12
Release date:2002-11-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha
J.Biol.Chem., 278, 2003
1H2L
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BU of 1h2l by Molmil
Factor Inhibiting HIF-1 alpha in complex with HIF-1 alpha fragment peptide
Descriptor: 2-OXOGLUTARIC ACID, FACTOR INHIBITING HIF1, FE (II) ION, ...
Authors:Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J.
Deposit date:2002-08-12
Release date:2002-11-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha
J.Biol.Chem., 278, 2003
1GQ6
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BU of 1gq6 by Molmil
PROCLAVAMINATE AMIDINO HYDROLASE FROM STREPTOMYCES CLAVULIGERUS
Descriptor: MANGANESE (II) ION, PROCLAVAMINATE AMIDINO HYDROLASE
Authors:Elkins, J.M, Clifton, I.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Hewitson, K.S.
Deposit date:2001-11-20
Release date:2002-06-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Oligomeric Structure of Proclavaminic Acid Amidino Hydrolase: Evolution of a Hydrolytic Enzyme in Clavulanic Acid Biosynthesis
Biochem.J., 366, 2002
2VZK
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BU of 2vzk by Molmil
Structure of the acyl-enzyme complex of an N-terminal nucleophile (Ntn) hydrolase, OAT2
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLUTAMATE N-ACETYLTRANSFERASE 2 ALPHA CHAIN, ...
Authors:Iqbal, A, Clifton, I.J, Schofield, C.J.
Deposit date:2008-08-01
Release date:2008-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Anatomy of a Simple Acyl Intermediate in Enzyme Catalysis: Combined Biophysical and Modeling Studies on Ornithine Acetyl Transferase.
J.Am.Chem.Soc., 131, 2009
2WA3
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BU of 2wa3 by Molmil
FACTOR INHIBITING HIF-1 ALPHA WITH 2-(3-hydroxyphenyl)-2-oxoacetic acid
Descriptor: 2-(3-HYDROXYPHENYL)-2-OXO-ETHANOIC ACID, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR
Authors:Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J.
Deposit date:2009-02-02
Release date:2010-04-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.
Bioorg. Med. Chem. Lett., 20, 2010
6T5Y
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BU of 6t5y by Molmil
Crystal structure of AmpC from E.coli with Zidebactam (WCK 5107)
Descriptor: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, Beta-lactamase, CHLORIDE ION, ...
Authors:Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021
6TBW
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BU of 6tbw by Molmil
Crystal structure of AmpC from E.coli with Avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CHLORIDE ION, ...
Authors:Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
Deposit date:2019-11-04
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021
6T35
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BU of 6t35 by Molmil
Crystal structure of AmpC from E.coli with Enmetazobactam (AAI-101)
Descriptor: Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
Deposit date:2019-10-10
Release date:2020-11-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
6T8M
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BU of 6t8m by Molmil
Prolyl Hydroxylase (PHD) involved in hypoxia sensing by Dictyostelium discoideum
Descriptor: CHLORIDE ION, GLYCEROL, N-OXALYLGLYCINE, ...
Authors:Chowdhury, R, McDonough, M.A, Liu, T, Clifton, I.J, Schofield, C.J.
Deposit date:2019-10-24
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Biochemical and biophysical analyses of hypoxia sensing prolyl hydroxylases from Dictyostelium discoideum and Toxoplasma gondii .
J.Biol.Chem., 295, 2020
6TPM
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BU of 6tpm by Molmil
Crystal structure of AmpC from E.coli with Relebactam (MK-7655)
Descriptor: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ...
Authors:Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
Deposit date:2019-12-13
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021

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PDB entries from 2024-07-17

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