4UWD
 
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6QGV
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with a Spiro[4.5]decanone inhibitor (JPHM-2-167) | | 分子名称: | 8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione, Egl nine homolog 1, GLYCEROL, ... | | 著者 | Chowdhury, R, Holt-Martyn, J.P, Rahman, M.Z, Schofield, C.J. | | 登録日 | 2019-01-13 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Studies on spiro[4.5]decanone prolyl hydroxylase domain inhibitors.
Medchemcomm, 10, 2019
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7VCE
 | | Structural studies of human inositol monophosphatase-1 inhibition by ebselen | | 分子名称: | Inositol monophosphatase 1 | | 著者 | Abuhammad, A, Laurieri, N, Rice, A, Lowe, E.D, McDonough, M.A, Singh, N, Churchill, G.C. | | 登録日 | 2021-09-02 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural and biochemical analysis of human inositol monophosphatase-1 inhibition by ebselen.
J.Biomol.Struct.Dyn., 2023
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5MNU
 | | 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
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5K48
 | | VIM-2 Metallo Beta Lactamase in complex with 3-(mercaptomethyl)-[1,1'-biphenyl]-4-carboxylic acid | | 分子名称: | 4-phenyl-2-(sulfanylmethyl)benzoic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | | 著者 | Zollman, D, McDonough, M, Brem, J, Schofield, C. | | 登録日 | 2016-05-20 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.744 Å) | | 主引用文献 | In Silico Fragment-Based Design Identifies Subfamily B1 Metallo-beta-lactamase Inhibitors.
J. Med. Chem., 61, 2018
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1PWD
 | | Covalent acyl enzyme complex of the Streptomyces R61 DD-peptidase with cephalosporin C | | 分子名称: | (2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, D-alanyl-D-alanine carboxypeptidase precursor | | 著者 | Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A. | | 登録日 | 2003-07-01 | | 公開日 | 2004-07-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
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1PW1
 | | Non-Covalent Complex Of Streptomyces R61 DD-Peptidase With A Highly Specific Penicillin | | 分子名称: | (2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE, D-alanyl-D-alanine carboxypeptidase, FORMYL GROUP, ... | | 著者 | Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A. | | 登録日 | 2003-06-30 | | 公開日 | 2004-07-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
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1PWC
 | | penicilloyl acyl enzyme complex of the Streptomyces R61 DD-peptidase with penicillin G | | 分子名称: | D-alanyl-D-alanine carboxypeptidase, OPEN FORM - PENICILLIN G | | 著者 | Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A. | | 登録日 | 2003-07-01 | | 公開日 | 2004-07-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
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1PW8
 | | Covalent Acyl Enzyme Complex Of The R61 DD-Peptidase with A Highly Specific Cephalosporin | | 分子名称: | (6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL | | 著者 | Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A. | | 登録日 | 2003-07-01 | | 公開日 | 2004-07-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
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1PWG
 | | Covalent Penicilloyl Acyl Enzyme Complex Of The Streptomyces R61 DD-Peptidase With A Highly Specific Penicillin | | 分子名称: | (2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, D-alanyl-D-alanine carboxypeptidase | | 著者 | Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A. | | 登録日 | 2003-07-01 | | 公開日 | 2004-07-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.074 Å) | | 主引用文献 | Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
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4C64
 | | ULTRA HIGH RESOLUTION DICKERSON-DREW DODECAMER B-DNA | | 分子名称: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*GP)-3', MAGNESIUM ION | | 著者 | Mcdonough, M, El-Sagheer, A.H, Brown, T, Schofield, C.J. | | 登録日 | 2013-09-17 | | 公開日 | 2013-10-02 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Structural insights into how 5-hydroxymethylation influences transcription factor binding.
Chem. Commun. (Camb.), 50, 2014
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4C63
 | | ULTRA HIGH RESOLUTION DICKERSON-DREW DODECAMER B-DNA WITH 5- METHYLCYSTOSINE MODIFICATION | | 分子名称: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*5CMP*GP*CP*GP)-3', MAGNESIUM ION | | 著者 | Mcdonough, M, El-Sagheer, A.H, Brown, T, Schofield, C.J. | | 登録日 | 2013-09-17 | | 公開日 | 2013-10-02 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Structural insights into how 5-hydroxymethylation influences transcription factor binding.
Chem. Commun. (Camb.), 50, 2014
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4C5X
 | | Ultra High Resolution Dickerson-Drew dodecamer B-DNA with 5-Hydroxymethyl-cytosine Modification | | 分子名称: | 5'-D(CP*GP*CP*GP*AP*AP*TP*TP*5HCP*GP*CP*GP)-3', MAGNESIUM ION | | 著者 | McDonough, M, El-Sagheer, A.H, Brown, T, Schofield, C.J. | | 登録日 | 2013-09-16 | | 公開日 | 2013-10-02 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structural insights into how 5-hydroxymethylation influences transcription factor binding.
Chem. Commun. (Camb.), 50, 2014
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2JKV
 | | Structure of human Phosphogluconate Dehydrogenase in complex with NADPH at 2.53A | | 分子名称: | 6-PHOSPHOGLUCONATE DEHYDROGENASE, DECARBOXYLATING, CHLORIDE ION, ... | | 著者 | Pilka, E.S, Kavanagh, K.L, von Delft, F, Muniz, J.R.C, Murray, J, Picaud, S, Guo, K, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Oppermann, U. | | 登録日 | 2008-09-01 | | 公開日 | 2009-09-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.532 Å) | | 主引用文献 | Structure of Human Phosphogluconate Dehydrogenase in Complex with Nadph at 2.53A
To be Published
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2YC0
 | | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH R-2-HYDROXYGLUTARATE | | 分子名称: | (2R)-2-hydroxypentanedioic acid, FE (II) ION, GLYCEROL, ... | | 著者 | Chowdhury, R, Clifton, I.J, Schofield, C.J. | | 登録日 | 2011-03-10 | | 公開日 | 2011-03-30 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases.
EMBO Rep., 12, 2011
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2YBS
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2YDE
 | | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH S-2-HYDROXYGLUTARATE | | 分子名称: | (2S)-2-HYDROXYPENTANEDIOIC ACID, FE (III) ION, GLYCEROL, ... | | 著者 | Chowdhury, R, Clifton, I.J, Schofield, C.J. | | 登録日 | 2011-03-18 | | 公開日 | 2011-03-30 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases.
EMBO Rep., 12, 2011
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2XFS
 | | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | | 分子名称: | (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12 | | 著者 | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | | 登録日 | 2010-05-26 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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6H8P
 | | JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Histone H1.4(18-32)K26me3 peptide (15-mer) | | 分子名称: | CHLORIDE ION, GLYCEROL, Histone H1.4, ... | | 著者 | Chowdhury, R, Walport, L.J, Schofield, C.J. | | 登録日 | 2018-08-03 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.983 Å) | | 主引用文献 | Mechanistic and structural studies of KDM-catalysed demethylation of histone 1 isotype 4 at lysine 26.
FEBS Lett., 592, 2018
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2XDV
 | | Crystal Structure of the Catalytic Domain of FLJ14393 | | 分子名称: | 1,2-ETHANEDIOL, CADMIUM ION, MANGANESE (II) ION, ... | | 著者 | Krojer, T, Muniz, J.R.C, Ng, S.S, Pilka, E, Guo, K, Pike, A.C.W, Filippakopoulos, P, Knapp, S, Kavanagh, K.L, Gileadi, O, Bunkoczi, G, Yue, W.W, Niesen, F, Sobott, F, Fedorov, O, Savitsky, P, Kochan, G, Daniel, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U. | | 登録日 | 2010-05-07 | | 公開日 | 2010-05-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
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5MMY
 | | 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
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5MOX
 | | 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 | 2024-01-17 | | 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
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5N5H
 | | Crystal structure of metallo-beta-lactamase VIM-1 in complex with ML302F inhibitor | | 分子名称: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Salimraj, R, Hinchliffe, P, Spencer, J. | | 登録日 | 2017-02-14 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases.
FEBS J., 286, 2019
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5N5I
 | | Crystal Structure of VIM-1 metallo-beta-lactamase in complex with hydrolysed meropenem | | 分子名称: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Salimraj, R, Hinchliffe, P, Spencer, J. | | 登録日 | 2017-02-14 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases.
FEBS J., 286, 2019
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5N5G
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