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6WCN
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BU of 6wcn by Molmil
Crystal structure of Laccase from Thermus thermophilus HB27 with an open conformation of beta-hairpin (Average deposited dose 18.08 MGy)
Descriptor: COPPER (II) ION, Laccase, PENTAETHYLENE GLYCOL
Authors:Miranda-Blancas, R, Rudino-Pinera, E.
Deposit date:2020-03-30
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dynamic behavior of beta-hairpin loop at laccase of Thermus thermophilus at 1.7 angstroms resolution
To Be Published
6WCL
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BU of 6wcl by Molmil
Crystal structure of Laccase from Thermus thermophilus HB27 with an open conformation of beta-hairpin (Average deposited dose 12.91 MGy)
Descriptor: COPPER (II) ION, Laccase, PENTAETHYLENE GLYCOL
Authors:Miranda-Blancas, R, Rudino-Pinera, E.
Deposit date:2020-03-30
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dynamic behavior of beta-hairpin loop at laccase of Thermus thermophilus at 1.7 angstroms resolution
To Be Published
6WCM
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BU of 6wcm by Molmil
Crystal structure of Laccase from Thermus thermophilus HB27 with an open conformation of beta-hairpin (Average deposited dose 15.50 MGy)
Descriptor: COPPER (II) ION, Laccase, PENTAETHYLENE GLYCOL
Authors:Miranda-Blancas, R, Rudino-Pinera, E.
Deposit date:2020-03-30
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dynamic behavior of beta-hairpin loop at laccase of Thermus thermophilus at 1.7 angstroms resolution
To Be Published
4XF9
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BU of 4xf9 by Molmil
cysteine dioxygenase variant - C93A at pH 8.0 in complex with homocysteine
Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Cysteine dioxygenase type 1, FE (III) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-26
Release date:2016-02-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XF4
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BU of 4xf4 by Molmil
Cysteine dioxygenase at pH 8.0 in complex with homocysteine
Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Cysteine dioxygenase type 1, FE (III) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-26
Release date:2016-03-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.3485 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XFH
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BU of 4xfh by Molmil
cysteine dioxygenase variant - Y157F at pH 6.2 with cysteine
Descriptor: CYSTEINE, Cysteine dioxygenase type 1, FE (III) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-26
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
8JBW
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BU of 8jbw by Molmil
Crystal structure of ZtHPPD-(+)-Usnic acid complex
Descriptor: (9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Lin, H.-Y, Dong, J, Yang, G.-F.
Deposit date:2023-05-09
Release date:2024-04-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and Development of 4-Hydroxyphenylpyruvate Dioxygenase as a Novel Crop Fungicide Target.
J.Agric.Food Chem., 71, 2023
6POU
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BU of 6pou by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(4-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine, GADOLINIUM ATOM, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2019-07-05
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
4UWM
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BU of 4uwm by Molmil
Type II Baeyer-Villiger monooxygenase.The oxygenating constituent of 3,6-diketocamphane monooxygenase from CAM plasmid of Pseudomonas putida in complex with FMN.
Descriptor: 3,6-DIKETOCAMPHANE 1,6 MONOOXYGENASE, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
Authors:Isupov, M.N, Schroeder, E, Gibson, R.P, Beecher, J, Donadio, G, Saneei, V, Dcunha, S, McGhie, E.J, Sayer, C, Davenport, C.F, Lau, P.C, Hasegawa, Y, Iwaki, H, Kadow, M, Loschinski, K, Bornscheuer, U.T, Bourenkov, G, Littlechild, J.A.
Deposit date:2014-08-12
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Oxygenating Constituent of 3,6-Diketocamphane Monooxygenase from the Cam Plasmid of Pseudomonas Putida: The First Crystal Structure of a Type II Baeyer-Villiger Monooxygenase.
Acta Crystallogr.,Sect.D, 71, 2015
7OLT
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BU of 7olt by Molmil
Dioxygenase AsqJ in complex with 2 and Tris
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-Methoxydehydrocyclopeptin, BROMIDE ION, ...
Authors:Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
Deposit date:2021-05-20
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
6Q2M
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BU of 6q2m by Molmil
Crystal structure of Photinus pyralis Luciferase Pps6 mutant in complex with DLSA
Descriptor: (2S,5S)-hexane-2,5-diol, 1,2-ETHANEDIOL, 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE, ...
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2019-08-08
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Mutagenesis and Structural Studies Reveal the Basis for the Activity and Stability Properties That Distinguish thePhotinusLuciferasesscintillansandpyralis.
Biochemistry, 58, 2019
5N2I
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BU of 5n2i by Molmil
F420:NADPH oxidoreductase from Thermobifida fusca with NADP+ bound
Descriptor: GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Reduced coenzyme F420:NADP oxidoreductase
Authors:Kumar, H, Nguyen, Q.-T, Binda, C, Mattevi, A, Fraaije, M.W.
Deposit date:2017-02-07
Release date:2017-04-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Isolation and characterization of a thermostable F420:NADPH oxidoreductase from Thermobifida fusca.
J. Biol. Chem., 292, 2017
8Z31
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BU of 8z31 by Molmil
Crystal Structure of HIF-PHD2 in complex with compound 1
Descriptor: 2-[(2,6-dimethyl-5-oxidanyl-pyrimidin-4-yl)carbonylamino]ethanoic acid, CHLORIDE ION, Egl nine homolog 1, ...
Authors:Ito, S, Baba, D, Fukuda, T, Tanaka, N.
Deposit date:2024-04-14
Release date:2025-02-26
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery of DS44470011: An oral hypoxia-inducible factor prolyl hydroxylase inhibitor for the treatment of renal anemia.
Bioorg.Med.Chem.Lett., 108, 2024
9CUF
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BU of 9cuf by Molmil
Room temperature SSX structure of ccNiR
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CALCIUM ION, Cytochrome c-552, ...
Authors:Malla, T.N, Schmidt, M.
Deposit date:2024-07-26
Release date:2025-01-15
Last modified:2025-01-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Exploiting fourth-generation synchrotron radiation for enzyme and photoreceptor characterization.
Iucrj, 12, 2025
4XEZ
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BU of 4xez by Molmil
cysteine dioxygenase variant - Y157F at pH 8.0 with dithionite
Descriptor: CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION, ...
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-25
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2469 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XF0
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BU of 4xf0 by Molmil
cysteine dioxygenase variant - C93A at pH 8.0 with cysteine
Descriptor: CHLORIDE ION, CYSTEINE, Cysteine dioxygenase type 1, ...
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-25
Release date:2016-03-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3994 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XDC
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BU of 4xdc by Molmil
Active semisynthetic [FeFe]-hydrogenase CpI with aza-dithiolato-bridged [2Fe] cofactor
Descriptor: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ...
Authors:Esselborn, J, Hofmann, E, Kurisu, G, Happe, T.
Deposit date:2014-12-19
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A structural view of synthetic cofactor integration into [FeFe]-hydrogenases.
Chem Sci, 7, 2016
7U9S
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BU of 7u9s by Molmil
Crystal structure of human D-amino acid oxidase in complex with inhibitor
Descriptor: 5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Skene, R.J, Bell, J.A.
Deposit date:2022-03-11
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform.
J.Med.Chem., 65, 2022
4XFC
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BU of 4xfc by Molmil
cysteine dioxygenase variant - Y157F at pH 6.2 unliganded
Descriptor: CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-26
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XFG
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BU of 4xfg by Molmil
cysteine dioxygenase variant - C93A at pH 6.2 with cysteine
Descriptor: CHLORIDE ION, CYSTEINE, Cysteine dioxygenase type 1, ...
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-26
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
6WCH
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BU of 6wch by Molmil
Crystal structure of Laccase from Thermus thermophilus HB27 with an open conformation of beta-hairpin (Average deposited dose 7.75 MGy)
Descriptor: COPPER (II) ION, Laccase, TETRAETHYLENE GLYCOL
Authors:Miranda-Blancas, R, Rudino-Pinera, E.
Deposit date:2020-03-30
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dynamic behavior of beta-hairpin loop at laccase of Thermus thermophilus at 1.7 angstroms resolution.
To Be Published
8VUG
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BU of 8vug by Molmil
Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PPN1 inhibitor
Descriptor: (5P)-5-(1H-indol-3-yl)-1-[(piperidin-4-yl)methyl]-1H-benzotriazole, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase, ...
Authors:Geeraerts, Z, Yeh, S.
Deposit date:2024-01-29
Release date:2024-08-21
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insights into Protein-Inhibitor Interactions in Human Tryptophan Dioxygenase.
J.Med.Chem., 67, 2024
8VTQ
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BU of 8vtq by Molmil
Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PPN3 inhibitor
Descriptor: (6M)-6-(1H-indol-3-yl)-1-[(piperidin-4-yl)methyl]-1H-benzotriazole, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase, ...
Authors:Geeraerts, Z, Yeh, S.-R.
Deposit date:2024-01-26
Release date:2024-08-21
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insights into Protein-Inhibitor Interactions in Human Tryptophan Dioxygenase.
J.Med.Chem., 67, 2024
4XFB
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BU of 4xfb by Molmil
cysteine dioxygenase variant - C93A at pH 8.0 unliganded
Descriptor: CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-26
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XFF
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BU of 4xff by Molmil
cysteine dioxygenase variant - Y157F at pH 6.2 with dithionite
Descriptor: CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION, ...
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-26
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016

243083

數據於2025-10-15公開中

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