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8FRI
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LSD1-CoREST in complex with AW4, short soaking
分子名称: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-([1~1~,2~1~:2~3~,3~1~-terphenyl]-1~4~-yl)-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name)
著者Caroli, J, Mattevi, A.
登録日2023-01-07
公開日2024-08-07
最終更新日2025-08-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Covalent adduct Grob fragmentation underlies LSD1 demethylase-specific inhibitor mechanism of action and resistance.
Nat Commun, 16, 2025
2Q9F
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Crystal structure of human cytochrome P450 46A1 in complex with cholesterol-3-sulphate
分子名称: CHOLEST-5-EN-3-YL HYDROGEN SULFATE, Cytochrome P450 46A1, GLYCEROL, ...
著者White, M.A, Mast, N.V, Johnson, E.F, Stout, C.D, Pikuleva, I.A.
登録日2007-06-12
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of substrate-bound and substrate-free cytochrome P450 46A1, the principal cholesterol hydroxylase in the brain.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3B51
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Ni,Fe-CODH-600 mV state
分子名称: Carbon monoxide dehydrogenase 2, FE (II) ION, FE(3)-NI(1)-S(4) CLUSTER, ...
著者Jeoung, J.H, Dobbek, H.
登録日2007-10-25
公開日2007-12-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Carbon dioxide activation at the Ni,Fe-cluster of anaerobic carbon monoxide dehydrogenase.
Science, 318, 2007
4KBZ
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Crystal Structure of Hypoxia-Inducible Factor Prolyl Hydroxylase (PHD2) with (S)-{2-[2-(5-Cyano-3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetylamino}-phenyl-acetic acid
分子名称: (2S)-({[2-(5-cyano-3-hydroxypyridin-2-yl)-1,3-thiazol-4-yl]acetyl}amino)(phenyl)ethanoic acid, Egl nine homolog 1, FE (II) ION, ...
著者Kim, H.T, Hong, Y.R, Chang, H.J.
登録日2013-04-24
公開日2013-05-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献

3B53
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Ni,Fe-CODH-320 mV state
分子名称: Carbon monoxide dehydrogenase 2, FE (II) ION, FE(3)-NI(1)-S(4) CLUSTER, ...
著者Jeoung, J.H, Dobbek, H.
登録日2007-10-25
公開日2007-12-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Carbon dioxide activation at the Ni,Fe-cluster of anaerobic carbon monoxide dehydrogenase.
Science, 318, 2007
3B52
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Ni,Fe-CODH-600 mV state + CO2
分子名称: CARBON DIOXIDE, Carbon monoxide dehydrogenase 2, FE (II) ION, ...
著者Jeoung, J.H, Dobbek, H.
登録日2007-10-25
公開日2007-12-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Carbon dioxide activation at the Ni,Fe-cluster of anaerobic carbon monoxide dehydrogenase.
Science, 318, 2007
8C9J
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BU of 8c9j by Molmil
Crystal structure of human NQO1 by serial femtosecond crystallography
分子名称: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
著者Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A, Pacheco-Garcia, J.L, Pey, A, Botha, S, Ros, A.
登録日2023-01-23
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme.
Lab Chip, 23, 2023
3W5H
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Ultra-high resolution structure of NADH-cytochrome b5 reductase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADH-cytochrome b5 reductase 3
著者Takeda, K, Ohno, H, Kosugi, M, Takaba, K, Miki, K.
登録日2013-01-30
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.78 Å)
主引用文献Elucidations of the catalytic cycle of NADH-cytochrome b5 reductase by X-ray crystallography: new insights into regulation of efficient electron transfer
J.Mol.Biol., 425, 2013
8BGW
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BU of 8bgw by Molmil
CryoEM structure of quinol-dependent Nitric Oxide Reductase (qNOR) from Alcaligenes xylosoxidans at 2.2 A resolution
分子名称: (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, CALCIUM ION, FE (III) ION, ...
著者Flynn, A, Antonyuk, S.V, Eady, R.R, Muench, S.P, Hasnain, S.S.
登録日2022-10-28
公開日2023-08-16
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献A 2.2 angstrom cryoEM structure of a quinol-dependent NO Reductase shows close similarity to respiratory oxidases.
Nat Commun, 14, 2023
3B9J
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Structure of Xanthine Oxidase with 2-hydroxy-6-methylpurine
分子名称: 6-methyl-3,9-dihydro-2H-purin-2-one, CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, ...
著者Pauff, J.M, Zhang, J, Bell, C.E, Hille, R.
登録日2007-11-05
公開日2007-12-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Substrate orientation in xanthine oxidase: crystal structure of enzyme in reaction with 2-hydroxy-6-methylpurine.
J.Biol.Chem., 283, 2008
4K39
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Native anSMEcpe with bound AdoMet and Cp18Cys peptide
分子名称: Anaerobic sulfatase-maturating enzyme, CHLORIDE ION, Cp18Cys peptide, ...
著者Goldman, P.J, Drennan, C.L.
登録日2013-04-10
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献X-ray structure of an AdoMet radical activase reveals an anaerobic solution for formylglycine posttranslational modification.
Proc.Natl.Acad.Sci.USA, 110, 2013
6CDN
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Crystal structure of cysteine-bound ferrous form of the crosslinked Cl-Tyr157 human cysteine dioxygenase
分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ...
著者Liu, A, Li, J, Shin, I.
登録日2018-02-08
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.055 Å)
主引用文献Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
2ET1
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BU of 2et1 by Molmil
Oxalate oxidase in complex with substrate analogue glycolate
分子名称: GLYOXYLIC ACID, MANGANESE (II) ION, Oxalate oxidase 1
著者Rose, R.-S, Opaleye, O, Woo, E.-J, Pickersgill, R.W.
登録日2005-10-27
公開日2005-11-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and spectroscopic studies shed light on the mechanism of oxalate oxidase
J.Biol.Chem., 281, 2006
3BI4
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BU of 3bi4 by Molmil
Crystal structures of fms1 in complex with its inhibitors
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-[(1E,2Z)-but-2-en-1-ylidene]-N'-[(2E)-but-2-en-1-ylidene]butane-1,4-diamine, Polyamine oxidase FMS1
著者Huang, Q, Hao, Q.
登録日2007-11-29
公開日2008-01-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of fms1 in complex with its inhibitors
To be Published
2Q32
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Crystal structure of human heme oxygenase-2 C127A (HO-2)
分子名称: Heme oxygenase 2, OXTOXYNOL-10
著者Bianchetti, C.M, Bingman, C.A, Bitto, E, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
登録日2007-05-29
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Comparison of Apo- and Heme-bound Crystal Structures of a Truncated Human Heme Oxygenase-2.
J.Biol.Chem., 282, 2007
4KFE
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Crystal structure of Hansenula polymorpha copper amine oxidase-1 reduced by methylamine at pH 7.0
分子名称: COPPER (II) ION, FORMYL GROUP, GLYCEROL, ...
著者Johnson, B.J, Yukl, E.T, Klema, V.J, Wilmot, C.M.
登録日2013-04-26
公開日2013-08-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural evidence for the semiquinone in a copper amine oxidase from Hansenula polymorpha: implications for the catalytic mechanism
J.Biol.Chem., 2013
4KTO
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Crystal Structure Of a Putative Isovaleryl-CoA dehydrogenase (PSI-NYSGRC-012251) from Sinorhizobium meliloti 1021
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, isovaleryl-CoA dehydrogenase
著者Kumar, P.R, Ahmed, M, Attonito, J, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Glenn, A.S, Hammonds, J, Hillerich, B, Himmel, D, Love, J.D, Seidel, R, Stead, M, Toro, R, Wasserman, S.R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-05-20
公開日2013-06-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.137 Å)
主引用文献Crystal structure of a Putative Isovaleryl-CoA dehydrogenase from Sinorhizobium meliloti 1021
to be published
6CDH
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Crystal structure of ferrous form of the Cl-Tyr157 human cysteine dioxygenase with both uncrosslinked and crosslinked cofactor
分子名称: Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ...
著者Liu, A, Li, J, Shin, I.
登録日2018-02-08
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.821 Å)
主引用文献Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
3W79
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Crystal Structure of azoreductase AzrC in complex with sulfone-modified azo dye Orange I
分子名称: 4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase
著者Ogata, D, Yu, J, Ooi, T, Yao, M.
登録日2013-02-27
公開日2014-02-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of AzrA and of AzrC complexed with substrate or inhibitor: insight into substrate specificity and catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
2ET7
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Structural and spectroscopic insights into the mechanism of oxalate oxidase
分子名称: MANGANESE (II) ION, Oxalate oxidase 1
著者Opaleye, O, Rose, R.-S, Whittaker, M.M, Woo, E.-J, Whittaker, J.W, Pickersgill, R.W.
登録日2005-10-27
公開日2005-11-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and spectroscopic studies shed light on the mechanism of oxalate oxidase
J.Biol.Chem., 281, 2006
2EZU
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BU of 2ezu by Molmil
Pyruvate oxidase variant F479W in complex with reaction intermediate 2-acetyl-thiamin diphosphate
分子名称: 2-ACETYL-THIAMINE DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K.
登録日2005-11-10
公開日2006-04-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
3W54
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Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei with colletochlorin B
分子名称: 3-chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde, Alternative oxidase, mitochondrial, ...
著者Shiba, T, Kido, Y, Sakamoto, K, Inaoka, D.K, Tsuge, C, Tatsumi, R, Takahashi, G, Balogun, E.O, Nara, T, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Saimoto, H, Moore, A.L, Harada, S, Kita, K.
登録日2013-01-21
公開日2013-03-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the trypanosome cyanide-insensitive alternative oxidase
Proc.Natl.Acad.Sci.USA, 110, 2013
9H4T
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Crystal Structure of TorA
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, D-MALATE, DI(HYDROXYETHYL)ETHER, ...
著者Panwar, A, Martins, B.M, Sommer, F, Dobbek, H, Iobbi-Nivol, C, Jourlin-Castelli, C, Leimkuehler, S.
登録日2024-10-21
公開日2025-02-26
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Purification and Electron Transfer from Soluble c-Type Cytochrome TorC to TorA for Trimethylamine N-Oxide Reduction.
Int J Mol Sci, 25, 2024
9I2Y
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Human DHODH in Complex with QC6352
分子名称: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2025-01-22
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Human DHODH in Complex with QC6352
To Be Published
9H8Z
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FAD-dependent monooxygenase sorC with sorbicillin bound
分子名称: (2~{Z})-1-[3,5-dimethyl-2,4-bis(oxidanyl)phenyl]hexa-2,4-dien-1-one, FAD-dependent monooxygenase sorC, FLAVIN-ADENINE DINUCLEOTIDE
著者Tjallinks, G, Mattevi, A.
登録日2024-10-29
公開日2025-03-19
最終更新日2025-04-02
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural and Mechanistic Characterization of the Flavin-Dependent Monooxygenase and Oxidase Involved in Sorbicillinoid Biosynthesis.
Acs Chem.Biol., 20, 2025

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