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PDB: 515 件

4CCJ
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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
4CCO
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60S ribosomal protein L8 histidine hydroxylase (NO66 S373C) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G214C) peptide fragment (complex-3)
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2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CCM
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60S ribosomal protein L8 histidine hydroxylase (NO66) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G220C) peptide fragment (complex-1)
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2024-10-23
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
6RUJ
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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
4BXF
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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
6T5Y
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Crystal structure of AmpC from E.coli with Zidebactam (WCK 5107)
分子名称: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, Beta-lactamase, CHLORIDE ION, ...
著者Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
登録日2019-10-17
公開日2020-11-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021
6T3D
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Crystal structure of AmpC from E.coli
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
著者Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
登録日2019-10-10
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli .
Biomolecules, 10, 2020
6TBW
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Crystal structure of AmpC from E.coli with Avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CHLORIDE ION, ...
著者Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
登録日2019-11-04
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021
6S0I
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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
6T35
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Crystal structure of AmpC from E.coli with Enmetazobactam (AAI-101)
分子名称: Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
登録日2019-10-10
公開日2020-11-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
2XUM
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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
6RBI
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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
6T7L
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Crystal structure of AmpC from E.coli with Nacubactam (OP0595)
分子名称: (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ...
著者Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
登録日2019-10-22
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021
6T8M
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Prolyl Hydroxylase (PHD) involved in hypoxia sensing by Dictyostelium discoideum
分子名称: CHLORIDE ION, GLYCEROL, N-OXALYLGLYCINE, ...
著者Chowdhury, R, McDonough, M.A, Liu, T, Clifton, I.J, Schofield, C.J.
登録日2019-10-24
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献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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Crystal structure of AmpC from E.coli with Relebactam (MK-7655)
分子名称: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ...
著者Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
登録日2019-12-13
公開日2020-11-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021
1E5S
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BU of 1e5s by Molmil
Proline 3-hydroxylase (type II) - Iron form
分子名称: FE (II) ION, PROLINE OXIDASE, SULFATE ION
著者Clifton, I.J, Hsueh, L.C, Baldwin, J.E, Schofield, C.J, Harlos, K.
登録日2000-07-28
公開日2001-07-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of proline 3-hydroxylase. Evolution of the family of 2-oxoglutarate dependent oxygenases.
Eur.J.Biochem., 268, 2001
7AEG
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SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide
著者Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A.
登録日2020-09-17
公開日2021-07-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
7AEH
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SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1
分子名称: (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A.
登録日2020-09-17
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
7Z59
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SARS-CoV-2 main protease (Mpro) covalently modified with a penicillin derivative
分子名称: (3S)-4-[[2,4-bis(fluoranyl)phenyl]methoxy]-2-methyl-4-oxidanylidene-3-[[(Z)-3-oxidanylidene-2-(2-phenoxyethanoylamino)prop-1-enyl]amino]butane-2-sulfinic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5
著者Owen, C.D, Malla, T.R, Brewitz, L, Lukacik, P, Strain-Damerell, C, Mikolajek, H, Muntean, D.G, Aslam, H, Salah, E, Tumber, A, Schofield, C.J, Walsh, M.A.
登録日2022-03-08
公開日2022-06-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Penicillin Derivatives Inhibit the SARS-CoV-2 Main Protease by Reaction with Its Nucleophilic Cysteine.
J.Med.Chem., 65, 2022
1DS0
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CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE
分子名称: ACETATE ION, CLAVAMINATE SYNTHASE 1, SULFATE ION
著者Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J.
登録日2000-01-06
公開日2000-07-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
1DRT
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CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II), 2-OXOGLUTARATE AND PROCLAVAMINIC ACID
分子名称: 2-OXOGLUTARIC ACID, 5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID, CLAVAMINATE SYNTHASE 1, ...
著者Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J.
登録日2000-01-06
公開日2000-07-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
7Z4S
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Crystal structure of SARS-CoV-2 Mpro in complex with cyclic peptide GM4 including unnatural amino acids.
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ...
著者Owen, C.D, Miura, T, Malla, T, Lukacik, L, Strain-Damerell, C.M, Tumber, A, Brewitz, L, McDonough, M.A, Salah, E, Terasaka, N, Katoh, T, Kawamura, A, Schofield, C.J, Suga, H, Walsh, M.A.
登録日2022-03-04
公開日2023-03-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In vitro selection of macrocyclic peptide inhibitors containing cyclic gamma 2,4 -amino acids targeting the SARS-CoV-2 main protease.
Nat.Chem., 15, 2023
7ZCC
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yxBC from Bacillus subtilis in complex with Mn and N-oxalylglycine (NOG)
分子名称: GLYCEROL, MANGANESE (II) ION, N-OXALYLGLYCINE, ...
著者Chowdhury, R, Schofield, C.J.
登録日2022-03-27
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献yxBC from Bacillus subtilis in complex with Mn and N-oxalylglycine (NOG)
To Be Published
1DS1
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CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II) AND 2-OXOGLUTARATE
分子名称: 2-OXOGLUTARIC ACID, CLAVAMINATE SYNTHASE 1, FE (II) ION, ...
著者Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J.
登録日2000-01-06
公開日2000-07-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
1DRY
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CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II), 2-OXOGLUTARATE AND N-ALPHA-L-ACETYL ARGININE
分子名称: 2-OXOGLUTARIC ACID, CLAVAMINATE SYNTHASE 1, FE (II) ION, ...
著者Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J.
登録日2000-01-06
公開日2000-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000

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