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5ZPS
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BU of 5zps by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine at pH 10 at 288 K (1)
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, PHENYLACETALDEHYDE, ...
著者Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
登録日2018-04-16
公開日2018-12-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.748 Å)
主引用文献In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3NB8
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BU of 3nb8 by Molmil
Crystal structure of oxidized H88Q Synechocystis sp. PCYA
分子名称: 1,2-ETHANEDIOL, BILIVERDINE IX ALPHA, Phycocyanobilin:ferredoxin oxidoreductase
著者Gae, D.D.
登録日2010-06-03
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis for hydration dynamics in radical stabilization of bilin reductase mutants.
Biochemistry, 49, 2010
5A3W
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BU of 5a3w by Molmil
Crystal structure of human PLU-1 (JARID1B) in complex with Pyridine-2, 6-dicarboxylic Acid (PDCA)
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ...
著者Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2015-06-03
公開日2015-06-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5K9D
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BU of 5k9d by Molmil
Crystal structure of human dihydroorotate dehydrogenase at 1.7 A resolution
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, CHLORIDE ION, ...
著者Lewis, T.A, Sykes, D.B, Law, J.M, Munoz, B, Scadden, D.T, Rustiguel, J.K, Nonato, M.C, Schreiber, S.L.
登録日2016-05-31
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia.
ACS Med Chem Lett, 7, 2016
5FVY
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BU of 5fvy by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl) ethyl)pyridin-2-amine
分子名称: 1,2-ETHANEDIOL, 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
著者Li, H, Poulos, T.L.
登録日2016-02-10
公開日2016-04-20
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.
J.Med.Chem., 59, 2016
3ZX1
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BU of 3zx1 by Molmil
Multicopper oxidase from Campylobacter jejuni: a metallo-oxidase
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, OXIDOREDUCTASE, ...
著者Silva, C.S, Durao, P, Fillat, A, Lindley, P.F, Martins, L.O, Bento, I.
登録日2011-08-04
公開日2011-12-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of the Multicopper Oxidase from the Pathogenic Bacterium Campylobacter Jejuni Cgug11284: Characterization of a Metallo-Oxidase.
Metallomics, 4, 2012
5A3T
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BU of 5a3t by Molmil
Crystal structure of human PLU-1 (JARID1B) in complex with KDM5-C49 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl) isonicotinic acid).
分子名称: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, BurgessBrown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2015-06-02
公開日2015-06-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
6GEQ
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BU of 6geq by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP121A1 in complex with Triazole Pyrazole inhibitor 14a
分子名称: 1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Levy, C.W.
登録日2018-04-27
公開日2019-08-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design and Synthesis of Imidazole and Triazole Pyrazoles asMycobacterium TuberculosisCYP121A1 Inhibitors.
Chemistryopen, 8, 2019
7ETL
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BU of 7etl by Molmil
The crystal structure of FtmOx1-Y68F
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
著者Zhou, J.H, Wu, L.
登録日2021-05-13
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.992128 Å)
主引用文献Structural Insight into the Catalytic Mechanism of the Endoperoxide Synthase FtmOx1.
Angew.Chem.Int.Ed.Engl., 61, 2022
7FHR
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BU of 7fhr by Molmil
Crystal Structure of a Rieske Oxygenase from Cupriavidus metallidurans
分子名称: 1,2-ETHANEDIOL, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Mahto, J.K, Dhankhar, P, Kumar, P.
登録日2021-07-30
公開日2021-12-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni.
J.Biol.Chem., 297, 2021
6DQ7
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BU of 6dq7 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE POTENTIAL HYDROLYSIS PRODUCT OF INHIBITOR N45 i.e. 3-((6-(4-(2-cyano-3-methylbut-2-enoyl)-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Linked KDM5A Jmj Domain, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献Structure-based Engineering of Reversible Covalent Inhibitors Against Histone Lysine Demethylase 5A
To Be Published
6TE1
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BU of 6te1 by Molmil
Structure of the KDM1A/CoREST complex with the inhibitor 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol
分子名称: 5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Pasqualato, S, Cecatiello, V.
登録日2019-11-11
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Discovery of Reversible Inhibitors of KDM1A Efficacious in Acute Myeloid Leukemia Models.
Acs Med.Chem.Lett., 11, 2020
2ATF
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BU of 2atf by Molmil
X-RAY STRUCTURE OF cysteine dioxygenase type I FROM MUS MUSCULUS MM.241056
分子名称: 1,2-ETHANEDIOL, Cysteine dioxygenase type I, NICKEL (II) ION
著者Wesenberg, G.E, Phillips Jr, G.N, Mccoy, J.G, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG)
登録日2005-08-24
公開日2005-10-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure and mechanism of mouse cysteine dioxygenase.
Proc.Natl.Acad.Sci.Usa, 103, 2006
1EG9
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BU of 1eg9 by Molmil
NAPHTHALENE 1,2-DIOXYGENASE WITH INDOLE BOUND IN THE ACTIVE SITE.
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, INDOLE, ...
著者Carredano, E, Karlsson, A, Kauppi, B, Choudhury, D, Parales, R.E, Parales, J.V, Lee, K, Gibson, D.T, Eklund, H, Ramaswamy, S.
登録日2000-02-15
公開日2000-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Substrate binding site of naphthalene 1,2-dioxygenase: functional implications of indole binding.
J.Mol.Biol., 296, 2000
5X7E
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BU of 5x7e by Molmil
Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84A mutant) in complex with 1,25-dihydroxyvitamin D2
分子名称: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydr o-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, PROTOPORPHYRIN IX CONTAINING FE, Vitamin D3 dihydroxylase
著者Hayashi, K, Yasuda, K, Shiro, Y, Sugimoto, H, Sakaki, T.
登録日2017-02-25
公開日2017-05-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Production of an active form of vitamin D2 by genetically engineered CYP105A1
Biochem. Biophys. Res. Commun., 486, 2017
1RX0
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BU of 1rx0 by Molmil
Crystal structure of isobutyryl-CoA dehydrogenase complexed with substrate/ligand.
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, Acyl-CoA dehydrogenase family member 8, ...
著者Battaile, K.P, Nguyen, T.V, Vockley, J, Kim, J.J.
登録日2003-12-18
公開日2004-04-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structures of Isobutyryl-CoA Dehydrogenase and Enzyme-Product Complex: COMPARISON WITH ISOVALERYL- AND SHORT-CHAIN ACYL-COA DEHYDROGENASES.
J.Biol.Chem., 279, 2004
4IMS
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BU of 4ims by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)
分子名称: 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), ACETATE ION, CHLORIDE ION, ...
著者Li, H, Poulos, T.L.
登録日2013-01-03
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-guided design of selective inhibitors of neuronal nitric oxide synthase.
J.Med.Chem., 56, 2013
1PBY
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BU of 1pby by Molmil
Structure of the Phenylhydrazine Adduct of the Quinohemoprotein Amine Dehydrogenase from Paracoccus denitrificans at 1.7 A Resolution
分子名称: HEME C, TERTIARY-BUTYL ALCOHOL, quinohemoprotein amine dehydrogenase 40 kDa subunit, ...
著者Datta, S, Ikeda, T, Kano, K, Mathews, F.S.
登録日2003-05-15
公開日2003-09-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the phenylhydrazine adduct of the quinohemoprotein amine dehydrogenase from Paracoccus denitrificans at 1.7 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
6GAL
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BU of 6gal by Molmil
Structure of fully reduced Hydrogenase (Hyd-1) variant E28Q collected at pH 10
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, FE3-S4 CLUSTER, ...
著者Carr, S.B, Armstrong, F.A, Evans, R.M.
登録日2018-04-11
公開日2019-02-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase.
J. Am. Chem. Soc., 140, 2018
6HUM
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BU of 6hum by Molmil
Structure of the photosynthetic complex I from Thermosynechococcus elongatus
分子名称: 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, IRON/SULFUR CLUSTER, ...
著者Schuller, J.M, Schuller, S.K, Kurisu, G, Engel, B.D, Nowaczyk, M.M.
登録日2018-10-09
公開日2019-01-09
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Structural adaptations of photosynthetic complex I enable ferredoxin-dependent electron transfer.
Science, 363, 2019
1GYC
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BU of 1gyc by Molmil
CRYSTAL STRUCTURE DETERMINATION AT ROOM TEMPERATURE OF A LACCASE FROM TRAMETES VERSICOLOR IN ITS OXIDISED FORM CONTAINING A FULL COMPLEMENT OF COPPER IONS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
著者Choinowski, T, Antorini, M, Piontek, K.
登録日2002-04-23
公開日2002-08-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of a Laccase from the Fungus Trametes Versicolor at 1.90-A Resolution Containing a Full Complement of Coppers.
J.Biol.Chem., 277, 2002
7D1T
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BU of 7d1t by Molmil
Cryo-EM Structure of PSII at 1.95 angstrom resolution
分子名称: (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Kato, K, Miyazaki, N, Hamaguchi, T, Nakajima, Y, Akita, F, Yonekura, K, Shen, J.R.
登録日2020-09-15
公開日2021-03-31
最終更新日2025-07-30
実験手法ELECTRON MICROSCOPY (1.95 Å)
主引用文献High-resolution cryo-EM structure of photosystem II reveals damage from high-dose electron beams.
Commun Biol, 4, 2021
4N4K
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BU of 4n4k by Molmil
Kuenenia stuttgartiensis hydroxylamine oxidoreductase soaked in hydroxylamine
分子名称: 1,2-ETHANEDIOL, HEME C, HYDROXYAMINE, ...
著者Maalcke, W.J, Dietl, A, Marritt, S.J, Butt, J.N, Jetten, M.S.M, Keltjens, J.T, Barends, T.R.M.B, Kartal, B.
登録日2013-10-08
公開日2013-12-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of Biological NO Generation by Octaheme Oxidoreductases.
J.Biol.Chem., 289, 2014
4G7G
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BU of 4g7g by Molmil
Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the VNI derivative (R)-N-(1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide [VNI/VNF (VFV)]
分子名称: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha-demethylase
著者Hargrove, T.Y, Wawrzak, Z, Waterman, M.R, Lepesheva, G.I.
登録日2012-07-20
公開日2013-07-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis.
J Infect Dis, 212, 2015
3VMI
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BU of 3vmi by Molmil
Carbazole- and oxygen-bound complex between oxygenase and ferredoxin in carbazole 1,9a-dioxygenase
分子名称: 9H-CARBAZOLE, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Ashikawa, Y, Nojiri, H.
登録日2011-12-12
公開日2012-08-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insight into the substrate- and dioxygenbinding manner in the catalytic cycle of rieske nonheme iron oxygenase system, carbazole 1,9adioxygenase
Bmc Struct.Biol., 12, 2012

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