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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
Descriptor: 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION
Authors:Dornevil, K, Liu, F, Liu, A.
Deposit date:2017-03-02
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:1.78 angstrom crystal structure of P97H 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans
To Be Published
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)
Descriptor: BICARBONATE ION, Egl nine homolog 1, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-16
Release date:2016-08-31
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8995 Å)
Cite: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)
Descriptor: BICARBONATE ION, Egl nine homolog 1, GLYCEROL, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-15
Release date:2016-08-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
6S0O
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BU of 6s0o by Molmil
Crystal Structure of Two-Domain Laccase from Streptomyces griseoflavus produced at 0.25 mM copper sulfate in growth medium
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ...
Authors:Gabdulkhakov, A.G, Tishchenko, T.V, Kolyadenko, I.A.
Deposit date:2019-06-17
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase fromStreptomyces griseoflavusAc-993.
Int J Mol Sci, 20, 2019
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)
Descriptor: Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-15
Release date:2016-08-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
6AAA
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BU of 6aaa by Molmil
Structure of a blue-shifted Luciferase from Amydetes vivianii
Descriptor: Blue-shifted Luciferase, GLYCEROL
Authors:Carrasco-Lopez, C, Naumov, P, Rabeh, W.
Deposit date:2018-07-18
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Beetle luciferases with naturally red- and blue-shifted emission.
Life Sci Alliance, 1, 2018
8X9G
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BU of 8x9g by Molmil
Crystal structure of CO dehydrogenase mutant in complex with BV
Descriptor: 1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium, Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(4) CLUSTER, ...
Authors:Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
Deposit date:2023-11-30
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
5Y2P
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BU of 5y2p by Molmil
Crystal Structure of Bacillus sp. TB-90 Urate Oxidase Improved by Humidity Control at 89% RH
Descriptor: 1,2-ETHANEDIOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
Authors:Itoh, T, Nishiya, Y.
Deposit date:2017-07-26
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conformational Flexibility of Plastic Interface Loop Allows Entropic Adaptation of Urate Oxidase to Environmental pH.
To Be Published
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)
Descriptor: BICARBONATE ION, Egl nine homolog 1, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-15
Release date:2016-08-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 4-methyl-N-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Cecatiello, V, Pasqualato, S.
Deposit date:2016-07-11
Release date:2017-02-22
Last modified:2025-10-01
Method:X-RAY DIFFRACTION (3.34 Å)
Cite: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
6RH9
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BU of 6rh9 by Molmil
Crystal Structure of Two-Domain Laccase mutant I170F from Streptomyces griseoflavus
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ...
Authors:Gabdulkhakov, A.G, Tishchenko, T.V, Kolyadenko, I.A.
Deposit date:2019-04-19
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase fromStreptomyces griseoflavusAc-993.
Int J Mol Sci, 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)
Descriptor: BICARBONATE ION, CHLORIDE ION, Egl nine homolog 1, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-15
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.816 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
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)
Descriptor: 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl)(propoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.684 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
8X9F
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BU of 8x9f by Molmil
Crystal structure of CO dehydrogenase mutant in complex with EV
Descriptor: 1,2-ETHANEDIOL, 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium, Carbon monoxide dehydrogenase 2, ...
Authors:Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
Deposit date:2023-11-30
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
6BH0
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BU of 6bh0 by Molmil
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)
Descriptor: 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, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.985 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGX
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BU of 6bgx by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)((4,4-difluorocyclohexyl)methoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N42)
Descriptor: 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.882 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 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]
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 2-{5-[(4-chloro-2-methylphenyl)methoxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-21
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
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
Descriptor: (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, ...
Authors:Feng, Y, Li, Z.H, Wang, W.D, Shen, J.R.
Deposit date:2023-03-30
Release date:2023-10-25
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Structure of a diatom photosystem II supercomplex containing a member of Lhcx family and dimeric FCPII.
Sci Adv, 9, 2023
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)
Descriptor: 2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.644 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGZ
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BU of 6bgz by Molmil
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)
Descriptor: 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, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.688 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
5ZLG
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BU of 5zlg by Molmil
Human duodenal cytochrome b (Dcytb) in zinc ion and ascorbate bound form
Descriptor: ASCORBIC ACID, Cytochrome b reductase 1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ganasen, M, Togashi, H, Mauk, G.A, Shiro, Y, Sawai, H, Sugimoto, H.
Deposit date:2018-03-27
Release date:2018-10-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for promotion of duodenal iron absorption by enteric ferric reductase with ascorbate.
Commun Biol, 1, 2018
5ZLE
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BU of 5zle by Molmil
Human duodenal cytochrome b (Dcytb) in substrate free form
Descriptor: Cytochrome b reductase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ganasen, M, Togashi, H, Mauk, G.A, Shiro, Y, Sawai, H, Sugimoto, H.
Deposit date:2018-03-27
Release date:2018-10-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for promotion of duodenal iron absorption by enteric ferric reductase with ascorbate.
Commun Biol, 1, 2018
5ZW7
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BU of 5zw7 by Molmil
FAD-PigA complex at 1.3 A
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Lee, C.-C, Ko, T.-P, Wang, A.H.J.
Deposit date:2018-05-14
Release date:2018-09-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of PigA: A Prolyl Thioester-Oxidizing Enzyme in Prodigiosin Biosynthesis.
Chembiochem, 20, 2019
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
Descriptor: 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, ...
Authors:Huang, G, Wagner, T, Wodrich, M.D, Ataka, K, Bill, E, Ermler, U, Hu, X, Shima, S.
Deposit date:2018-08-08
Release date:2019-08-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:The atomic-resolution crystal structure of activated [Fe]-hydrogenase
Nat Catal, 2019
3C8Y
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BU of 3c8y by Molmil
1.39 Angstrom crystal structure of Fe-only hydrogenase
Descriptor: 2 IRON/2 SULFUR/3 CARBONYL/2 CYANIDE/WATER/METHYLETHER CLUSTER, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ...
Authors:Pandey, A.S, Lemon, B.J, Peters, J.W.
Deposit date:2008-02-14
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Dithiomethylether as a ligand in the hydrogenase h-cluster.
J.Am.Chem.Soc., 130, 2008

242842

數據於2025-10-08公開中

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