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7POY
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BU of 7poy by Molmil
Spin labeled IPNS S55C variant in complex with Fe, ACV and NO
分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Clifton, I, Walla, C, Schofield, C.J.
登録日2021-09-10
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Spectroscopic studies reveal details of substrate-induced conformational changes distant from the active site in isopenicillin N synthase.
J.Biol.Chem., 298, 2022
6Y0P
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BU of 6y0p by Molmil
isopenicillin N synthase in complex with IPN and Fe using FT-SSX methods
分子名称: FE (III) ION, ISOPENICILLIN N, Isopenicillin N synthase, ...
著者Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J.
登録日2020-02-10
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
1QNJ
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BU of 1qnj by Molmil
THE STRUCTURE OF NATIVE PORCINE PANCREATIC ELASTASE AT ATOMIC RESOLUTION (1.1 A)
分子名称: ELASTASE, SODIUM ION, SULFATE ION
著者Wurtele, M, Hahn, M, Hilpert, K, Hohne, W.
登録日1999-10-15
公開日2000-03-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic Resolution Structure of Native Porcine Pancreatic Elastase at 1.1 A
Acta Crystallogr.,Sect.D, 56, 2000
5OP6
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BU of 5op6 by Molmil
Factor Inhibiting HIF (FIH) in complex with zinc and GSK128863
分子名称: 2-[[1,3-dicyclohexyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbonylamino]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
著者Leissing, T.M, Schofield, C.J, Clifton, I.J, Thinnes, C.C, Lu, X.
登録日2017-08-09
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
5OPC
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BU of 5opc by Molmil
Factor Inhibiting HIF (FIH) in complex with zinc and Vadadustat
分子名称: GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ...
著者Leissing, T.M, Schofield, C.J, Clifton, I.J, Lu, X, Zhang, D.
登録日2017-08-09
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
5NDE
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BU of 5nde by Molmil
Crystal structure of metallo-beta-lactamase SPM-1 in space group P4222
分子名称: Beta-lactamase IMP-1, CHLORIDE ION, GLYCEROL, ...
著者Hinchliffe, P, Spencer, J.
登録日2017-03-08
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cyclobutanone Mimics of Intermediates in Metallo-beta-Lactamase Catalysis.
Chemistry, 24, 2018
5OP8
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BU of 5op8 by Molmil
Factor Inhibiting HIF (FIH) in complex with zinc and Molidustat
分子名称: 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{H}-pyrazol-3-one, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
著者Leissing, T.M, Schofield, C.J, Clifton, I.J, Lu, X.
登録日2017-08-09
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
7OMX
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BU of 7omx by Molmil
Thermus sp. 2.9 DarT in complex with carba-NAD+
分子名称: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, DarT domain-containing protein, THIOCYANATE ION
著者Schuller, M, Ariza, A.
登録日2021-05-24
公開日2021-06-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
7OMV
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BU of 7omv by Molmil
Thermus sp. 2.9 DarT
分子名称: CHLORIDE ION, DarT domain-containing protein, THIOCYANATE ION
著者Schuller, M, Ariza, A.
登録日2021-05-24
公開日2021-06-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
7ON0
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BU of 7on0 by Molmil
Thermus sp. 2.9 DarT in complex with ADP-ribosylated ssDNA
分子名称: DNA (5'-D(*AP*TP*GP*TP*C)-3'), DarT domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Schuller, M, Ariza, A.
登録日2021-05-24
公開日2021-06-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
7OMZ
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BU of 7omz by Molmil
Thermus sp. 2.9 DarT in complex with ADP-ribosylated ssDNA and nicotinamide
分子名称: DNA (5'-D(*AP*TP*GP*TP*C)-3'), DarT domain-containing protein, NICOTINAMIDE, ...
著者Schuller, M, Ariza, A.
登録日2021-05-24
公開日2021-06-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
7OMW
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BU of 7omw by Molmil
Thermus sp. 2.9 DarT in complex with NAD+
分子名称: DarT domain-containing protein, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Schuller, M, Ariza, A.
登録日2021-05-24
公開日2021-06-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
7OMY
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BU of 7omy by Molmil
Thermus sp. 2.9 DarT in complex with carba-NAD+ and ssDNA
分子名称: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, DNA (5'-D(*AP*TP*GP*TP*C)-3'), DarT domain-containing protein, ...
著者Schuller, M, Ariza, A.
登録日2021-05-24
公開日2021-06-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
7OMU
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BU of 7omu by Molmil
Thermosipho africanus DarTG in complex with ADP-ribose
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Macro domain-containing protein
著者Ariza, A.
登録日2021-05-24
公開日2021-06-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
5MMY
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BU of 5mmy by Molmil
Crystal structure of OXA10 with HEPES
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase OXA-10, ...
著者Brem, J.
登録日2016-12-12
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献(13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Org. Biomol. Chem., 15, 2017
5MOX
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BU of 5mox by Molmil
OXA-10 Avibactam complex with bound CO2
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CARBON DIOXIDE, ...
著者Brem, J.
登録日2016-12-14
公開日2017-07-12
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献(13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Org. Biomol. Chem., 15, 2017
5MNU
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BU of 5mnu by Molmil
OXA-10 Avibactam complex with bound bromide
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, BROMIDE ION, Beta-lactamase OXA-10, ...
著者Brem, J, McDonough, M, Clifton, I.
登録日2016-12-13
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献(13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Org. Biomol. Chem., 15, 2017
5NC8
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BU of 5nc8 by Molmil
Shewanella denitrificans Kef CTD in AMP bound form
分子名称: ADENOSINE MONOPHOSPHATE, Potassium efflux system protein
著者Pliotas, C, Naismith, J.H.
登録日2017-03-03
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Adenosine Monophosphate Binding Stabilizes the KTN Domain of the Shewanella denitrificans Kef Potassium Efflux System.
Biochemistry, 56, 2017
5MOZ
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BU of 5moz by Molmil
OXA-10 Avibactam complex with bound Iodide
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CHLORIDE ION, ...
著者Brem, J.
登録日2016-12-15
公開日2017-07-12
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献(13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Org. Biomol. Chem., 15, 2017
5NDB
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BU of 5ndb by Molmil
Crystal structure of metallo-beta-lactamase SPM-1 complexed with cyclobutanone inhibitor
分子名称: (1~{S},4~{R},5~{S})-7,7-bis(chloranyl)-6,6-bis(oxidanyl)-2$l^{4}-thiabicyclo[3.2.0]hept-2-ene-4-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase IMP-1, ...
著者Hinchliffe, P, Spencer, J.
登録日2017-03-08
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Cyclobutanone Mimics of Intermediates in Metallo-beta-Lactamase Catalysis.
Chemistry, 24, 2018
4BXF
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BU of 4bxf by Molmil
60S ribosomal protein L27A histidine hydroxylase (MINA53 Y209C) in complex with MN(II), 2-oxoglutarate (2OG) and 60S ribosomal protein L27A (RPL27A G37C) peptide fragment
分子名称: 2-OXOGLUTARIC ACID, 60S RIBOSOMAL PROTEIN L27A, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE MINA, ...
著者Chowdhury, R, Schofield, C.J.
登録日2013-07-10
公開日2014-05-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4BU2
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BU of 4bu2 by Molmil
60S ribosomal protein L27A histidine hydroxylase (MINA53) in complex with Ni(II) and 2-oxoglutarate (2OG)
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE MINA, ...
著者Chowdhury, R, Clifton, I.J, McDonough, M.A, Ng, S.S, Pilka, E, Oppermann, U, Schofield, C.J.
登録日2013-06-19
公開日2014-05-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CCN
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BU of 4ccn by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66 L299C/C300S) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G220C) peptide fragment (complex-2)
分子名称: 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ...
著者Chowdhury, R, Schofield, C.J.
登録日2013-10-23
公開日2014-05-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CCK
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BU of 4cck by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66) in complex with Mn(II) and N-oxalylglycine (NOG)
分子名称: 1,2-ETHANEDIOL, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, MANGANESE (II) ION, ...
著者Chowdhury, R, Ge, W, Clifton, I.J, Schofield, C.J.
登録日2013-10-23
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CCJ
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BU of 4ccj by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66) in apo form
分子名称: 1,2-ETHANEDIOL, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66
著者Chowdhury, R, Ge, W, Clifton, I.J, Schofield, C.J.
登録日2013-10-23
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014

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