6PP4
 
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-3-ylmethoxy)phenyl)-4-methylquinolin-2-amine | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2019-07-05 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 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
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8WHP
 | | Crystal structure of AtHPPD-YH201042 complex | | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, 6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-3-(2-ethoxyethyl)-5-methyl-2-(trifluoromethyl)quinazolin-4-one, COBALT (II) ION | | Authors: | Yang, G.-F, Lin, H.-Y, Dong, J. | | Deposit date: | 2023-09-23 | | Release date: | 2024-09-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.919 Å) | | Cite: | Crystal structure of AtHPPD-YH201042 complex
To Be Published
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8WPC
 | | Complex structure of AtHPPD with LB553 | | Descriptor: | (2R)-3-[2,4-bis(chloranyl)-3-methyl-phenyl]carbonyl-1-cyclopropyl-2-methyl-4-oxidanyl-2H-pyrrol-5-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Yang, G.-F, Lin, H.-Y, Dong, J. | | Deposit date: | 2023-10-09 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.797 Å) | | Cite: | Complex structure of AtHPPD with LB553
To Be Published
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4XET
 | | Fe-Cl bound Y157F CDO at pH ~7.0 in the presence of azide | | Descriptor: | CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION | | Authors: | Driggers, C.M, Karplus, P.A. | | Deposit date: | 2014-12-24 | | Release date: | 2016-04-06 | | Last modified: | 2023-09-27 | | 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
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8WQM
 | | Complex structure of AtHPPD with Atovaquone | | Descriptor: | 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Yang, G.-F, Lin, H.-Y, Dong, J. | | Deposit date: | 2023-10-11 | | Release date: | 2024-03-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Complex structure of AtHPPD with Atovaquone
To Be Published
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6RHQ
 | | Crystal Structure of Two-Domain Laccase mutant I170A from Streptomyces griseoflavus | | Descriptor: | COPPER (II) ION, GLYCEROL, SULFATE ION, ... | | Authors: | Gabdulkhakov, A.G, Tishchenko, T.V, Kolyadenko, I.A. | | Deposit date: | 2019-04-22 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase fromStreptomyces griseoflavusAc-993.
Int J Mol Sci, 20, 2019
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5YWG
 | | Crystal structure of Arabidopsis thaliana HPPD complexed with Mesotrione | | Descriptor: | 2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Lin, H.Y, Yang, W.C. | | Deposit date: | 2017-11-29 | | Release date: | 2019-01-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | Molecular insights into the mechanism of 4-hydroxyphenylpyruvate dioxygenase inhibition: enzyme kinetics, X-ray crystallography and computational simulations.
FEBS J., 286, 2019
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8J3C
 | | Crystal structure of AtHPPD-Y19623 complex | | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, 5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one, COBALT (II) ION | | Authors: | Dong, J, Yang, G.-F, Lin, H.-Y. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.703 Å) | | Cite: | Crystal structure of AtHPPD-Y19623 complex
To Be Published
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6PP0
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(cyclobutylmethoxy)phenyl)-4-methylquinolin-2-amine | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine, ... | | 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 (1.97 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
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6POY
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-propoxyphenyl)-4-methylquinolin-2-amine | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2019-07-05 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 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
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8J8W
 | | Crystal structure of AtHPPD-Y19788 complex | | Descriptor: | 2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Lin, H.-Y, Dong, J, Yang, G.-F. | | Deposit date: | 2023-05-02 | | Release date: | 2024-05-08 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Crystal structure of AtHPPD-Y19788 complex
To Be Published
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8HAZ
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6QGV
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with a Spiro[4.5]decanone inhibitor (JPHM-2-167) | | Descriptor: | 8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione, Egl nine homolog 1, GLYCEROL, ... | | Authors: | Chowdhury, R, Holt-Martyn, J.P, Rahman, M.Z, Schofield, C.J. | | Deposit date: | 2019-01-13 | | Release date: | 2020-02-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Studies on spiro[4.5]decanone prolyl hydroxylase domain inhibitors.
Medchemcomm, 10, 2019
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6POX
 | | Structure of human endothelialnitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-ethoxyphenyl)-4-methylquinolin-2-amine | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2019-07-05 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.197 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
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8QM3
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6POV
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2019-07-05 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.047 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
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9IYL
 | | ChCODH2 WT | | Descriptor: | Carbon monoxide dehydrogenase 2, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ... | | Authors: | Kong, S.Y, Yoon, H.J, Kim, S.M, Lee, H.H. | | Deposit date: | 2024-07-30 | | Release date: | 2025-07-30 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Air-viable, rapid CO dehydrogenase with a selectively sealed tunnel
To Be Published
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8WHO
 | | Crystal structure of AtHPPD-YH20541 complex | | Descriptor: | 3-(ethylsulfanylmethyl)-~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Yang, G.-F, Lin, H.-Y, Dong, J. | | Deposit date: | 2023-09-23 | | Release date: | 2024-09-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Crystal structure of AtHPPD-YH20541 complex
To Be Published
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8HZ7
 | | Crystal structure of AtHPPD-Y181135 complex | | Descriptor: | 3-butyl-5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-1,2,3-benzotriazin-4-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2023-01-08 | | Release date: | 2023-12-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Crystal structure of AtHPPD-Y181135 complex
To Be Published
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8I0G
 | | Crystal structure of AtHPPD-Y19543 complex | | Descriptor: | 3-[(4-fluorophenyl)methyl]-5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-1,2,3-benzotriazin-4-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2023-01-10 | | Release date: | 2023-12-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.992 Å) | | Cite: | Crystal structure of AtHPPD-Y19543 complex
To Be Published
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8I2P
 | | Crystal structure of AtHPPD-Y19060 complex | | Descriptor: | 3-(cyclopropylmethyl)-6-[(5-cyclopropyl-2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2023-01-14 | | Release date: | 2023-12-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.797 Å) | | Cite: | Crystal structure of AtHPPD-Y19060 complex
To Be Published
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8HX4
 | | Crystal structure of AtHPPD-Y18549 complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-hydroxyphenylpyruvate dioxygenase, 6-[(R)-[(2R,6R)-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(4,6-dimethylpyrimidin-2-yl)-1,5-dimethyl-quinazoline-2,4-dione, ... | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2023-01-03 | | Release date: | 2023-12-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.896 Å) | | Cite: | Crystal structure of AtHPPD-Y18549 complex
To Be Published
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8HXG
 | | Crystal structure of AtHPPD-Y14116 complex | | Descriptor: | (1S,2R,3R)-2-[(S)-(2-methoxy-8-methyl-quinolin-3-yl)-oxidanyl-methyl]-6,6-dimethyl-cyclohex-4-ene-1,3-diol, (4S)-2-METHYL-2,4-PENTANEDIOL, 4-hydroxyphenylpyruvate dioxygenase, ... | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2023-01-04 | | Release date: | 2023-12-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Crystal structure of AtHPPD-Y14116 complex
To Be Published
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8HYO
 | | Crystal structure of AtHPPD-Y18031 complex | | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, 6-[(R)-[(2R,6R)-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(furan-2-ylmethyl)-1,5-dimethyl-quinazoline-2,4-dione, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2023-01-07 | | Release date: | 2023-12-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of AtHPPD-Y18031 complex
To Be Published
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8I2U
 | | Crystal structure of AtHPPD-YH20282 complex | | Descriptor: | 2-[2-chloranyl-4-methylsulfonyl-3-(2-trimethylsilylethoxy)phenyl]carbonyl-3-oxidanyl-cyclohex-2-en-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2023-01-15 | | Release date: | 2023-12-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.989 Å) | | Cite: | Crystal structure of AtHPPD-YH20282 complex
To Be Published
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