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8A4G
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BU of 8a4g by Molmil
IPNS H270E variant in complex with Cd and ACV
分子名称: CADMIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Rabe, P, Schofield, C.J.
登録日2022-06-11
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献IPNS H270E variant in complex with Cd and ACV
To Be Published
5E9V
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BU of 5e9v by Molmil
Crystal structure of BRD9 bromodomain in complex with an indolizine ligand
分子名称: 1,2-ETHANEDIOL, 1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone, Bromodomain-containing protein 9
著者Tallant, C, Hay, D.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Schofield, C.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S.
登録日2015-10-15
公開日2015-10-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of BRD9 bromodomain in complex with an indolizine ligand
To Be Published
2XUM
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BU of 2xum by Molmil
FACTOR INHIBITING HIF (FIH) Q239H MUTANT IN COMPLEX WITH ZN(II), NOG AND ASP-SUBSTRATE PEPTIDE (20-MER)
分子名称: ASP-SUBSTRATE PEPTIDE 2, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N-OXALYLGLYCINE, ...
著者Chowdhury, R, McDonough, M.A, Schofield, C.J.
登録日2010-10-19
公開日2010-12-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Asparagine and aspartate hydroxylation of the cytoskeletal ankyrin family is catalyzed by factor-inhibiting hypoxia-inducible factor.
J. Biol. Chem., 286, 2011
6Q9F
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BU of 6q9f by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Mn, NOG and Factor X peptide fragment (39mer-4Ser)
分子名称: Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, GLYCEROL, ...
著者Chowdhury, R, Pfeffer, I, Schofield, C.J.
登録日2018-12-18
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Mn, NOG and Factor X peptide fragment (39mer-4Ser)
To Be Published
6Q9I
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BU of 6q9i by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Factor X peptide fragment (39mer-4Ser)
分子名称: Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, FORMIC ACID, ...
著者Chowdhury, R, Pfeffer, I, Schofield, C.J.
登録日2018-12-18
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献AspH-H679A.Factor X Complex
To Be Published
6RBJ
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BU of 6rbj by Molmil
Crystal structure of KDM3B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
分子名称: 1,2-ETHANEDIOL, 5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol, CHLORIDE ION, ...
著者Johansson, C, Newman, J.A, Kawamura, A, Schofield, C.J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2019-04-10
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献Crystal structure of KDM3B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
To Be Published
6RPN
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BU of 6rpn by Molmil
Structure of metallo beta lactamase VIM-2 with cyclic boronate APC308.
分子名称: (3~{R})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, Beta-lactamase VIM-2, ...
著者Parkova, A, Lucic, A, Brem, J, McDonough, M.A, Langley, G.W, Schofield, C.J.
登録日2019-05-14
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.409 Å)
主引用文献Broad Spectrum beta-Lactamase Inhibition by a Thioether Substituted Bicyclic Boronate.
Acs Infect Dis., 6, 2020
6RUJ
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BU of 6ruj by Molmil
Factor inhibiting HIF-1 alpha in complex with consensus ankyrin repeat domain-(d)3-hydroxy-Leu peptide
分子名称: CONSENSUS ANKYRIN REPEAT DOMAIN-(D)3-hydroxy-Leu, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ...
著者Nakashima, Y, McDonough, M.A, Schofield, C.J.
登録日2019-05-28
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献A human protein hydroxylase that accepts D-residues
Commun Chem, 2020
6RZ0
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BU of 6rz0 by Molmil
Crystal structure of Escherichia coli Glyoxalase II
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, GLYCEROL, ...
著者Skorupskaite, A, McDonough, M.A, Schofield, C.J.
登録日2019-06-12
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of Escherichia coli Glyoxalase II
To Be Published
6S0I
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BU of 6s0i by Molmil
Crystal structure of Escherichia coli Glyoxalase II with L-Tartrate in the active site
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hydroxyacylglutathione hydrolase GloB, L(+)-TARTARIC ACID, ...
著者Skorupskaite, A, McDonough, M.A, Schofield, C.J.
登録日2019-06-14
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Crystal structure of Escherichia coli Glyoxalase II
To Be Published
6RMF
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BU of 6rmf by Molmil
Crystal structure of NDM-1 with VNRX-5133
分子名称: (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Metallo-beta-lactamase type 2, ...
著者Hinchliffe, P, Spencer, J, Brem, J, Schofield, C.J.
登録日2019-05-06
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases.
J.Med.Chem., 62, 2019
6RBI
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BU of 6rbi by Molmil
Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
分子名称: 1,2-ETHANEDIOL, 5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ...
著者Johansson, C, Newman, J.A, Kawamura, A, Schofield, C.J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2019-04-10
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
To Be Published
6QA5
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BU of 6qa5 by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in the apo form
分子名称: ACETATE ION, Aspartyl/asparaginyl beta-hydroxylase, TETRAETHYLENE GLYCOL
著者Chowdhury, R, Pfeffer, I, Schofield, C.J.
登録日2018-12-18
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.655 Å)
主引用文献Apo aspH-H679A
To Be Published
6YW0
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BU of 6yw0 by Molmil
Lysine-N,N-Dimethylated HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with BB-287
分子名称: 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid, BICARBONATE ION, Egl nine homolog 1, ...
著者Chowdhury, R, Schofield, C.J.
登録日2020-04-29
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6YVX
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BU of 6yvx by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic BB-287
分子名称: 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid, BICARBONATE ION, Egl nine homolog 1, ...
著者Chowdhury, R, Banerji, B, Schofield, C.J.
登録日2020-04-28
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6YW4
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BU of 6yw4 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with N-oxalylglycine (NOG) and a RaPID-derived silent allosteric cyclic peptide 3C (14-mer)
分子名称: Egl nine homolog 1, MANGANESE (II) ION, N-OXALYLGLYCINE, ...
著者Chowdhury, R, Schofield, C.J.
登録日2020-04-29
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.528 Å)
主引用文献Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
4IE0
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BU of 4ie0 by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with pyridine-2,4-dicarboxylate (2,4-PDCA)
分子名称: Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, PYRIDINE-2,4-DICARBOXYLIC ACID, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2012-12-13
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
4IE5
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BU of 4ie5 by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with N-[(3-hydroxypyridin-2-yl)carbonyl]glycine (MD6)
分子名称: Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, N-[(3-hydroxypyridin-2-yl)carbonyl]glycine, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2012-12-13
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
1GVK
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BU of 1gvk by Molmil
Porcine pancreatic elastase acyl enzyme at 0.95 A resolution
分子名称: CALCIUM ION, ELASTASE 1, PEPTIDE INHIBITOR, ...
著者Katona, G, Wilmouth, R.C, Wright, P.A, Berglund, G.I, Hajdu, J, Neutze, R, Schofield, C.J.
登録日2002-02-14
公開日2002-07-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献X-Ray Structure of a Serine Protease Acyl-Enzyme Complex at 0.95-A Resolution.
J.Biol.Chem., 277, 2002
1H2N
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BU of 1h2n by Molmil
Factor Inhibiting HIF-1 alpha
分子名称: 2-OXOGLUTARIC ACID, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ...
著者Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J.
登録日2002-08-12
公開日2002-11-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha
J.Biol.Chem., 278, 2003
4IW3
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BU of 4iw3 by Molmil
Crystal structure of a Pseudomonas putida prolyl-4-hydroxylase (P4H) in complex with elongation factor Tu (EF-Tu)
分子名称: Elongation factor Tu-A, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Scotti, J.S, McDonough, M.A, Schofield, C.J.
登録日2013-01-23
公開日2014-01-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.697 Å)
主引用文献Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Proc.Natl.Acad.Sci.USA, 111, 2014
1GQ7
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BU of 1gq7 by Molmil
PROCLAVAMINATE AMIDINO HYDROLASE FROM STREPTOMYCES CLAVULIGERUS
分子名称: MANGANESE (II) ION, PROCLAVAMINATE AMIDINO HYDROLASE
著者Elkins, J.M, Clifton, I.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Hewitson, K.S.
登録日2001-11-20
公開日2002-06-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Oligomeric structure of proclavaminic acid amidino hydrolase: evolution of a hydrolytic enzyme in clavulanic acid biosynthesis.
Biochem. J., 366, 2002
1GQ6
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PROCLAVAMINATE AMIDINO HYDROLASE FROM STREPTOMYCES CLAVULIGERUS
分子名称: MANGANESE (II) ION, PROCLAVAMINATE AMIDINO HYDROLASE
著者Elkins, J.M, Clifton, I.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Hewitson, K.S.
登録日2001-11-20
公開日2002-06-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
分子名称: FACTOR INHIBITING HIF1, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA, ...
著者Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J.
登録日2002-08-12
公開日2002-11-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献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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Factor Inhibiting HIF-1 alpha in complex with HIF-1 alpha fragment peptide
分子名称: FACTOR INHIBITING HIF1, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA, N-OXALYLGLYCINE, ...
著者Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J.
登録日2002-08-12
公開日2002-11-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha
J.Biol.Chem., 278, 2003

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