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
 | | 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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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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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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5EC3
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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: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.886 Å) | | Cite: | Complex structure of AtHPPD with inhibitor Y18093
To Be Published
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7E0X
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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
 | | 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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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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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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8IOG
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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
 | | 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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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
 | | 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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9J6I
 | | Crystal structure of the ABA receptor PYL1 in complex with DBSA compound | | Descriptor: | 5-bromanyl-N2-[(4-bromophenyl)-bis(oxidanyl)-$l^4-sulfanyl]-N1,N1,N3,N3-tetrakis(oxidanyl)benzene-1,2,3-triamine, Abscisic acid receptor PYL1 | | Authors: | Yan, J. | | Deposit date: | 2024-08-16 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Stabilization of dimeric PYR/PYL/RCAR family members relieves abscisic acid-induced inhibition of seed germination.
Nat Commun, 15, 2024
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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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8X7D
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8XC3
 | | Crystal structure of ZmHSL1A-MBQ complex | | Descriptor: | 1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 2-OXOGLUTARIC ACID, 2-oxoglutarate (2OG) and Fe(II)-dependent oxygenase superfamily protein, ... | | Authors: | Yang, G.-F, Lin, H.-Y, Dong, J. | | Deposit date: | 2023-12-07 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | An artificially evolved gene for herbicide-resistant rice breeding.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8X7C
 | | Crystal structure of ZmHSL1A | | Descriptor: | 2-OXOGLUTARIC ACID, 2-oxoglutarate (2OG) and Fe(II)-dependent oxygenase superfamily protein, COBALT (II) ION | | Authors: | Lin, H.-Y, Dong, J, Yang, G.-F. | | Deposit date: | 2023-11-23 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.597 Å) | | Cite: | An artificially evolved gene for herbicide-resistant rice breeding.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8X74
 | | Crystal structure of ZmHSL1A complexed with mesotrione | | Descriptor: | 2-OXOGLUTARIC ACID, 2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione, 2-oxoglutarate (2OG) and Fe(II)-dependent oxygenase superfamily protein, ... | | Authors: | Lin, H.-Y, Dong, J, Yang, G.-F. | | Deposit date: | 2023-11-22 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.791 Å) | | Cite: | An artificially evolved gene for herbicide-resistant rice breeding.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8X6Q
 | | Crystal structure of OsHSL1 L204F/F298L/I335F complexed with 2-acetyl-cyclohexane-2,4-dione | | Descriptor: | 2-OXOGLUTARIC ACID, 2-ethanoyl-3-oxidanyl-cyclohex-2-en-1-one, COBALT (II) ION, ... | | Authors: | Lin, H.-Y, Dong, J, Yang, G.-F. | | Deposit date: | 2023-11-21 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | An artificially evolved gene for herbicide-resistant rice breeding.
Proc.Natl.Acad.Sci.USA, 121, 2024
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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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