8HZA
 
 | | Crystal structure of AtHPPD-YH20326 complex | | Descriptor: | 1,4-dimethyl-3-(oxan-4-ylmethyl)-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-benzimidazol-2-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 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal structure of AtHPPD-YH20326 complex
To Be Published
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8HYS
 | | Crystal structure of AtHPPD-Y19802 complex | | Descriptor: | 1-methyl-3-[2-methyl-6-methylsulfonyl-3-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-phenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2023-01-07 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of AtHPPD-Y19802 complex
To Be Published
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8HWR
 | | Crystal structure of AtHPPD-Y191193 complex | | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, 6-chloranyl-3-cyclopentyl-1-methyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2023-01-02 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Crystal structure of AtHPPD-Y191193 complex
To Be Published
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8HYP
 | | Crystal structure of AtHPPD-Y18400 complex | | Descriptor: | 3-[(4-fluorophenyl)methyl]-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2023-01-07 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | Crystal structure of AtHPPD-Y18400 complex
To Be Published
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8I36
 | | Crystal structure of AtHPPD-Y18980 complex | | Descriptor: | 1,5-dimethyl-3-(naphthalen-1-ylmethyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2023-01-16 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.887 Å) | | Cite: | Crystal structure of AtHPPD-Y18980 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 | | 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 | | Method: | X-RAY DIFFRACTION (1.992 Å) | | Cite: | Crystal structure of AtHPPD-Y19543 complex
To Be Published
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8HXF
 | | Crystal structure of AtHPPD-Y181188 complex | | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, 6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazin-3-one, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2023-01-04 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.697 Å) | | Cite: | Crystal structure of AtHPPD-Y181188 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 | | 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 | | Method: | X-RAY DIFFRACTION (1.896 Å) | | Cite: | Crystal structure of AtHPPD-Y18549 complex
To Be Published
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8HZU
 | | Crystal structure of AtHPPD-XHD complex | | Descriptor: | (5R)-2-butanimidoyl-5-[(2R)-2-ethylsulfanylpropyl]-3-oxidanyl-cyclohex-2-en-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2023-01-09 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Crystal structure of AtHPPD-XHD complex
To Be Published
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8I0Y
 | | Crystal structure of AtHPPD-Y191713 complex | | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION, ethyl 5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-4-oxidanylidene-3-phenyl-quinazoline-2-carboxylate | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2023-01-11 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.792 Å) | | Cite: | Crystal structure of AtHPPD-Y191713 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 | | 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 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of AtHPPD-Y18031 complex
To Be Published
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8HYM
 | | Crystal structure of AtHPPD-Y18030 complex | | Descriptor: | 3-cyclopentyl-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2023-01-07 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.794 Å) | | Cite: | Crystal structure of AtHPPD-Y18030 complex
To Be Published
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8I2S
 | | Crystal structure of AtHPPD-Y18979 complex | | Descriptor: | 1,5-dimethyl-3-(naphthalen-2-ylmethyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 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 | | Method: | X-RAY DIFFRACTION (1.592 Å) | | Cite: | Crystal structure of AtHPPD-Y18979 complex
To Be Published
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8I15
 | | Crystal structure of AtHPPD-YH20335 complex | | Descriptor: | 1,4-dimethyl-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)benzimidazol-2-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2023-01-12 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Crystal structure of AtHPPD-YH20335 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 | | Method: | X-RAY DIFFRACTION (1.989 Å) | | Cite: | Crystal structure of AtHPPD-YH20282 complex
To Be Published
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8HX2
 | | Crystal structure of AtHPPD-Y18405 complex | | Descriptor: | 3-[2-(3-chlorophenyl)ethyl]-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2023-01-03 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.996 Å) | | Cite: | Crystal structure of AtHPPD-Y18405 complex
To Be Published
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8HZ9
 | | Crystal structure of AtHPPD-Y181136 complex | | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, 5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-3-propan-2-yl-1,2,3-benzotriazin-4-one, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2023-01-08 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.011 Å) | | Cite: | Crystal structure of AtHPPD-Y181136 complex
To Be Published
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8HZ6
 | | Crystal structure of AtHPPD-QRY2089 complex | | Descriptor: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-prop-2-ynyl-quinazoline-2,4-dione, 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 | | Method: | X-RAY DIFFRACTION (1.605 Å) | | Cite: | Crystal structure of AtHPPD-QRY2089 complex
To Be Published
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8ILJ
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6SP9
 | | Fragment KCL802 in complex with MAP kinase p38-alpha | | Descriptor: | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, CALCIUM ION, ... | | Authors: | Nichols, C.E, De Nicola, G.F. | | Deposit date: | 2019-08-31 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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6SOU
 | | Fragment N13565a in complex with MAP kinase p38-alpha | | Descriptor: | 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone, CHLORIDE ION, Mitogen-activated protein kinase 14, ... | | Authors: | Nichols, C.E, De Nicola, G.F. | | Deposit date: | 2019-08-29 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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8IRG
 | | XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 30-microsecond delay | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Li, H, Suga, M, Shen, J.R. | | Deposit date: | 2023-03-17 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
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