5XGK
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![BU of 5xgk by Molmil](/molmil-images/mine/5xgk) | Crystal structure of Arabidopsis thaliana 4-hydroxyphenylpyruvate dioxygenase (AtHPPD) complexed with its substrate 4-hydroxyphenylpyruvate acid (HPPA) | Descriptor: | (2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid, 4-hydroxyphenylpyruvate dioxygenase, ACETATE ION, ... | Authors: | Yang, G.F, Yang, W.C, Lin, H.Y. | Deposit date: | 2017-04-14 | Release date: | 2018-09-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of 4-Hydroxyphenylpyruvate Dioxygenase in Complex with Substrate Reveals a New Starting Point for Herbicide Discovery. Res, 2019, 2019
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7VC8
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![BU of 7vc8 by Molmil](/molmil-images/mine/7vc8) | Complex structure of AtHPPD with inhibitor PYQ3 | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION, pyren-1-yl 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]ethanoate | Authors: | Yang, G.F, Lin, H.Y. | Deposit date: | 2021-09-01 | Release date: | 2022-09-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.606 Å) | Cite: | Design of an HPPD fluorescent probe and visualization of plant responses to abiotic stress Adv Agrochem, 2022
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6LGT
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![BU of 6lgt by Molmil](/molmil-images/mine/6lgt) | Complex structure of HPPD with an inhibitor Y16542 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, ... | Authors: | Lin, H.Y, Yang, W.C, Yang, G.F. | Deposit date: | 2019-12-05 | Release date: | 2020-10-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.794 Å) | Cite: | Discovery of Novel Pyrazole-Quinazoline-2,4-dione Hybrids as 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors. J.Agric.Food Chem., 68, 2020
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7CQR
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![BU of 7cqr by Molmil](/molmil-images/mine/7cqr) | Complex structure of HPPD with Y16550 | Descriptor: | 3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Lin, H.Y, Yang, G.F. | Deposit date: | 2020-08-11 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.947 Å) | Cite: | Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules Adv Agrochem, 2022
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7CQS
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![BU of 7cqs by Molmil](/molmil-images/mine/7cqs) | Complex structure of HPPD with Topramezone | Descriptor: | 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{H}-pyrazol-3-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Lin, H.Y, Yang, G.F. | Deposit date: | 2020-08-11 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules Adv Agrochem, 2022
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5EC3
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![BU of 5ec3 by Molmil](/molmil-images/mine/5ec3) | |
7CJK
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![BU of 7cjk by Molmil](/molmil-images/mine/7cjk) | Complex structure of AtHPPD with inhibitor Y18093 | Descriptor: | 3-oxidanyl-2-[3,5,6-tris(chloranyl)-4-[(4-chlorophenyl)methylamino]pyridin-2-yl]carbonyl-cyclohex-2-en-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Lin, H.Y, Yang, G.F. | Deposit date: | 2020-07-11 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Complex structure of AtHPPD with inhibitor Y18093 To Be Published
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5YY6
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![BU of 5yy6 by Molmil](/molmil-images/mine/5yy6) | Crystal structure of Arabidopsis thaliana HPPD truncated mutant complexed with Benquitrione | Descriptor: | 3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Yang, W.C, Chen, J.N, Yang, G.F. | Deposit date: | 2017-12-08 | Release date: | 2019-01-16 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Crystal Structure of 4-Hydroxyphenylpyruvate Dioxygenase in Complex with Substrate Reveals a New Starting Point for Herbicide Discovery. Research (Wash D C), 2019, 2019
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5YY7
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![BU of 5yy7 by Molmil](/molmil-images/mine/5yy7) | |
7E0X
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![BU of 7e0x by Molmil](/molmil-images/mine/7e0x) | |
8IOG
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![BU of 8iog by Molmil](/molmil-images/mine/8iog) | |
6ISD
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![BU of 6isd by Molmil](/molmil-images/mine/6isd) | Crystal structure of Arabidopsis thaliana HPPD complexed with sulcotrione | Descriptor: | 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Yang, W.C, Yang, G.F. | Deposit date: | 2018-11-16 | Release date: | 2018-11-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 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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6J63
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![BU of 6j63 by Molmil](/molmil-images/mine/6j63) | Crystal structure of Arabidopsis thaliana HPPD complexed with NTBC | Descriptor: | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE, 4-hydroxyphenylpyruvate dioxygenase, FE (III) ION | Authors: | Yang, W.C, Yang, G.F. | Deposit date: | 2019-01-13 | Release date: | 2019-02-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.624 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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6JX9
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![BU of 6jx9 by Molmil](/molmil-images/mine/6jx9) | Structure of Y17107 complexed HPPD | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, 5-[(~{Z})-(1,3-dimethyl-5-oxidanylidene-pyrazol-4-ylidene)-oxidanyl-methyl]-2-(phenylmethyl)isoindole-1,3-dione, COBALT (II) ION | Authors: | Lin, H.Y, Yang, G.F. | Deposit date: | 2019-04-22 | Release date: | 2020-03-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pyrazole-Isoindoline-1,3-dione Hybrid: A Promising Scaffold for 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors. J.Agric.Food Chem., 67, 2019
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7EZQ
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![BU of 7ezq by Molmil](/molmil-images/mine/7ezq) | Complex structure of AtHPPD with inhibitor Y15832 | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, 6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-3-(2-methylphenyl)quinazoline-2,4-dione, COBALT (II) ION | Authors: | Lin, H.Y, Yang, G.F. | Deposit date: | 2021-06-01 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.886 Å) | Cite: | Complex structure of AtHPPD with inhibitor Y18093 To Be Published
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7V6X
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![BU of 7v6x by Molmil](/molmil-images/mine/7v6x) | Crystal structure of HPPD complexed with Y18556 | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, 5-methyl-3-[(2-methylphenyl)methyl]-6-[(1~{R},2~{S})-2-oxidanyl-6-oxidanylidene-cyclohexyl]carbonyl-1,2,3-benzotriazin-4-one, COBALT (II) ION | Authors: | Lin, H.Y, Yang, G.F. | Deposit date: | 2021-08-20 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pharmacophore-Oriented Discovery of Novel 1,2,3-Benzotriazine-4-one Derivatives as Potent 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors. J.Agric.Food Chem., 70, 2022
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4U3F
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![BU of 4u3f by Molmil](/molmil-images/mine/4u3f) | Cytochrome bc1 complex from chicken with designed inhibitor bound | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CARDIOLIPIN, ... | Authors: | Huang, L.-S, Zhu, X.-L, Yang, G.F, Berry, E.A. | Deposit date: | 2014-07-21 | Release date: | 2015-07-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2312 Å) | Cite: | Rational Design of Highly Potent and Slow-Binding Cytochrome bc1 Inhibitor as Fungicide by Computational Substitution Optimization Sci Rep, 5, 2015
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3TGU
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![BU of 3tgu by Molmil](/molmil-images/mine/3tgu) | Cytochrome bc1 complex from chicken with pfvs-designed moa inhibitor bound | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, Coenzyme Q10, ... | Authors: | Huang, L.-S, Yang, G.-F, Berry, E.A. | Deposit date: | 2011-08-17 | Release date: | 2012-07-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Computational discovery of picomolar Q(o) site inhibitors of cytochrome bc1 complex. J.Am.Chem.Soc., 134, 2012
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8HOW
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![BU of 8how by Molmil](/molmil-images/mine/8how) | Crystal structure of AtHPPD-Y191052 complex | Descriptor: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(2-phenylethyl)quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Yang, G.-F, Lin, H.-Y, Dong, J. | Deposit date: | 2022-12-11 | Release date: | 2023-01-25 | Last modified: | 2023-02-01 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design. J.Agric.Food Chem., 71, 2023
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5YWG
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![BU of 5ywg by Molmil](/molmil-images/mine/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: | 2023-11-22 | 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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6M6D
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![BU of 6m6d by Molmil](/molmil-images/mine/6m6d) | Structure of HPPD complexed with a synthesized inhibitor | Descriptor: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-trimethylsilylprop-2-ynyl)quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Lin, H.-Y, Yang, W.-C, Yang, G.-F. | Deposit date: | 2020-03-14 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.842 Å) | Cite: | Structure-Guided Discovery of Silicon-Containing Subnanomolar Inhibitor of Hydroxyphenylpyruvate Dioxygenase as a Potential Herbicide. J.Agric.Food Chem., 69, 2021
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5YWK
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![BU of 5ywk by Molmil](/molmil-images/mine/5ywk) | Crystal structure of Arabidopsis thaliana HPPD complexed with Benquitrione-Methyl | Descriptor: | 1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Yang, W.C, Lin, H.Y. | Deposit date: | 2017-11-29 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | Structure-Guided Discovery of Silicon-Containing Subnanomolar Inhibitor of Hydroxyphenylpyruvate Dioxygenase as a Potential Herbicide. J.Agric.Food Chem., 69, 2021
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8IM2
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![BU of 8im2 by Molmil](/molmil-images/mine/8im2) | Crystal structure of human HPPD complexed with NTBC | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE, 4-hydroxyphenylpyruvate dioxygenase, ... | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-03-05 | Release date: | 2023-10-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structure-based discovery of pyrazole-benzothiadiazole hybrid as human HPPD inhibitors. Structure, 31, 2023
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8HID
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![BU of 8hid by Molmil](/molmil-images/mine/8hid) | HUMAN ERYTHROCYTE CATALSE COMPLEXED WITH BT-Br | Descriptor: | (~{S})-azanyl-[2-[[3-bromanyl-4-(diethylamino)phenyl]methyl]hydrazinyl]methanethiol, Catalase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lin, H.-Y, Yang, G.-F. | Deposit date: | 2022-11-19 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A catalase inhibitor: Targeting the NADPH-binding site for castration-resistant prostate cancer therapy. Redox Biol, 63, 2023
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8JBW
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![BU of 8jbw by Molmil](/molmil-images/mine/8jbw) | 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 | 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
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