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5LBE
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HIF prolyl hydroxylase 2 (PHD2/EGLN1) G294E variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/FG2216)
分子名称: BICARBONATE ION, Egl nine homolog 1, MANGANESE (II) ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2016-06-15
公開日2016-08-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
6RH9
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Crystal Structure of Two-Domain Laccase mutant I170F from Streptomyces griseoflavus
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ...
著者Gabdulkhakov, A.G, Tishchenko, T.V, Kolyadenko, I.A.
登録日2019-04-19
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase fromStreptomyces griseoflavusAc-993.
Int J Mol Sci, 20, 2019
5V26
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BU of 5v26 by Molmil
1.78 angstrom crystal structure of P97H 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans
分子名称: 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION
著者Dornevil, K, Liu, F, Liu, A.
登録日2017-03-02
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献1.78 angstrom crystal structure of P97H 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans
To Be Published
5LB6
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BU of 5lb6 by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) R371H variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
分子名称: Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2016-06-15
公開日2016-08-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5LBF
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BU of 5lbf by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) K293K/G294E variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/FG2216)
分子名称: BICARBONATE ION, Egl nine homolog 1, MANGANESE (II) ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2016-06-16
公開日2016-08-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8995 Å)
主引用文献Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5LAT
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BU of 5lat by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) P317R variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
分子名称: BICARBONATE ION, Egl nine homolog 1, GLYCEROL, ...
著者Chowdhury, R, Schofield, C.J.
登録日2016-06-15
公開日2016-08-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
6HAV
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BU of 6hav by Molmil
Crystal structure of [Fe]-hydrogenase (Hmd) from Methanococcus aeolicus in complex with FeGP and methenyl-tetrahydromethanopterin (close form A) at 1.06 A resolution
分子名称: 1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-{5-O-[(S)-{[(1S)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, 5,10-methenyltetrahydromethanopterin hydrogenase, GLYCEROL, ...
著者Huang, G, Wagner, T, Wodrich, M.D, Ataka, K, Bill, E, Ermler, U, Hu, X, Shima, S.
登録日2018-08-08
公開日2019-08-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献The atomic-resolution crystal structure of activated [Fe]-hydrogenase
Nat Catal, 2019
5MX2
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BU of 5mx2 by Molmil
Photosystem II depleted of the Mn4CaO5 cluster at 2.55 A resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Zhang, M, Bommer, M, Chatterjee, R, Hussain, R, Kern, J, Yano, J, Dau, H, Dobbek, H, Zouni, A.
登録日2017-01-20
公開日2017-08-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Structural insights into the light-driven auto-assembly process of the water-oxidizing Mn4CaO5-cluster in photosystem II.
Elife, 6, 2017
5LBB
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BU of 5lbb by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) R396T variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
分子名称: BICARBONATE ION, Egl nine homolog 1, MANGANESE (II) ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2016-06-15
公開日2016-08-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5ZW7
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BU of 5zw7 by Molmil
FAD-PigA complex at 1.3 A
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Lee, C.-C, Ko, T.-P, Wang, A.H.J.
登録日2018-05-14
公開日2018-09-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structure of PigA: A Prolyl Thioester-Oxidizing Enzyme in Prodigiosin Biosynthesis.
Chembiochem, 20, 2019
5LBC
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BU of 5lbc by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) I280V/R281L/I292V variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/FG2216)
分子名称: BICARBONATE ION, CHLORIDE ION, Egl nine homolog 1, ...
著者Chowdhury, R, Schofield, C.J.
登録日2016-06-15
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.816 Å)
主引用文献Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5LHG
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BU of 5lhg by Molmil
Structure of the KDM1A/CoREST complex with the inhibitor 4-methyl-N-[4-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
分子名称: 4-methyl-N-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Cecatiello, V, Pasqualato, S.
登録日2016-07-11
公開日2017-02-22
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
5ZLE
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BU of 5zle by Molmil
Human duodenal cytochrome b (Dcytb) in substrate free form
分子名称: Cytochrome b reductase 1, PROTOPORPHYRIN IX CONTAINING FE
著者Ganasen, M, Togashi, H, Mauk, G.A, Shiro, Y, Sawai, H, Sugimoto, H.
登録日2018-03-27
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for promotion of duodenal iron absorption by enteric ferric reductase with ascorbate.
Commun Biol, 1, 2018
5ZP1
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BU of 5zp1 by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH 9 at 288 K (1)
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, Phenylethylamine oxidase, ...
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2024-11-06
実験手法X-RAY DIFFRACTION (1.669 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
4EVM
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BU of 4evm by Molmil
1.5 Angstrom crystal structure of soluble domain of membrane-anchored thioredoxin family protein from Streptococcus pneumoniae strain Canada MDR_19A
分子名称: Thioredoxin family protein
著者Wawrzak, Z, Stogios, P.J, Minasov, G, Kudritska, M, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-04-26
公開日2012-05-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.506 Å)
主引用文献1.5 Angstrom crystal structure of soluble domain of membrane-anchored thioredoxin family protein from Streptococcus pneumoniae strain Canada MDR_19A
To be Published
6DQ5
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BU of 6dq5 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N43 i.e. 3-((6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
分子名称: Linked KDM5A Jmj Domain, MANGANESE (II) ION, N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
8IWH
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BU of 8iwh by Molmil
Structure and characteristics of a photosystem II supercomplex containing monomeric LHCX and dimeric FCPII antennae from the diatom Thalassiosira pseudonana
分子名称: (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol, (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, ...
著者Feng, Y, Li, Z.H, Wang, W.D, Shen, J.R.
登録日2023-03-30
公開日2023-10-25
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Structure of a diatom photosystem II supercomplex containing a member of Lhcx family and dimeric FCPII.
Sci Adv, 9, 2023
5ZLG
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BU of 5zlg by Molmil
Human duodenal cytochrome b (Dcytb) in zinc ion and ascorbate bound form
分子名称: ASCORBIC ACID, Cytochrome b reductase 1, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Ganasen, M, Togashi, H, Mauk, G.A, Shiro, Y, Sawai, H, Sugimoto, H.
登録日2018-03-27
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for promotion of duodenal iron absorption by enteric ferric reductase with ascorbate.
Commun Biol, 1, 2018
5IW0
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BU of 5iw0 by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N19 [2-(5-((4-chloro-2-methylbenzyl)oxy)-1H-pyrazol-1-yl)isonicotinic acid]
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 2-{5-[(4-chloro-2-methylphenyl)methoxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid, ...
著者Horton, J.R, Cheng, X.
登録日2016-03-21
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
1LIN
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BU of 1lin by Molmil
CALMODULIN COMPLEXED WITH TRIFLUOPERAZINE (1:4 COMPLEX)
分子名称: 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE, CALCIUM ION, CALMODULIN
著者Vandonselaar, M, Hickie, R.A, Quail, J.W, Delbaere, L.T.J.
登録日1995-10-11
公開日1996-03-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Trifluoperazine-induced conformational change in Ca(2+)-calmodulin.
Nat.Struct.Biol., 1, 1994
6BGU
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BU of 6bgu by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine (Compound N9)
分子名称: 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl)(propoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.684 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGW
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BU of 6bgw by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(4,4-difluoropiperidin-1-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N41)
分子名称: 2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.644 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
3C8Y
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BU of 3c8y by Molmil
1.39 Angstrom crystal structure of Fe-only hydrogenase
分子名称: 2 IRON/2 SULFUR/3 CARBONYL/2 CYANIDE/WATER/METHYLETHER CLUSTER, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ...
著者Pandey, A.S, Lemon, B.J, Peters, J.W.
登録日2008-02-14
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Dithiomethylether as a ligand in the hydrogenase h-cluster.
J.Am.Chem.Soc., 130, 2008
6BH0
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (R)-2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N51)
分子名称: 2-{(R)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, Lysine-specific demethylase 5A, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.985 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGZ
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methyl-1H-imidazol-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N47)
分子名称: 2-{(S)-(2-chlorophenyl)[2-(1-methyl-1H-imidazol-2-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, Lysine-specific demethylase 5A, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.688 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018

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