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PDB: 176 results
5E0R
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BU of 5e0r by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with AYC
Descriptor: 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
Authors:Dong, J, Caflisch, A.
Deposit date:2015-09-29
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.352 Å)
Cite:Crystal Structure of the first bromodomain of BRD4 in complex with AYC
To Be Published
5EPB
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BU of 5epb by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49
Descriptor: ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-[(2~{S})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzothiazepine-7-carboxamide
Authors:Dong, J, Caflisch, A.
Deposit date:2015-11-11
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49
To Be Published
5F3A
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BU of 5f3a by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14
Descriptor: ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide
Authors:Dong, J, Caflisch, A.
Deposit date:2015-12-02
Release date:2016-12-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14
To Be Published
5F36
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BU of 5f36 by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound A12
Descriptor: ATPase family AAA domain-containing protein 2, CHLORIDE ION, SULFATE ION, ...
Authors:Dong, J, Caflisch, A.
Deposit date:2015-12-02
Release date:2016-12-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
8IM3
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BU of 8im3 by Molmil
Crystal structure of human HPPD complexed with compound a10
Descriptor: 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION, [1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone
Authors:Dong, J, Lin, H.-Y.
Deposit date:2023-03-05
Release date:2023-10-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structure-based discovery of pyrazole-benzothiadiazole hybrid as human HPPD inhibitors.
Structure, 31, 2023
8IM2
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BU of 8im2 by Molmil
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
8HZA
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BU of 8hza by Molmil
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
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structure of AtHPPD-YH20326 complex
To Be Published
8HXH
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BU of 8hxh by Molmil
Crystal structure of AtHPPD-Y18024 complex
Descriptor: 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-propyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Dong, J, Lin, H.-Y, Yang, G.-F.
Deposit date:2023-01-04
Release date:2023-12-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Crystal structure of AtHPPD-Y18024 complex
To Be Published
8HYS
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BU of 8hys by Molmil
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
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of AtHPPD-Y19802 complex
To Be Published
8HZ7
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BU of 8hz7 by Molmil
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
8I0G
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BU of 8i0g by Molmil
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
8HWR
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BU of 8hwr by Molmil
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
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal structure of AtHPPD-Y191193 complex
To Be Published
8HYP
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BU of 8hyp by Molmil
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
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:Crystal structure of AtHPPD-Y18400 complex
To Be Published
8I2P
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BU of 8i2p by Molmil
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
8HXF
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BU of 8hxf by Molmil
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
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:Crystal structure of AtHPPD-Y181188 complex
To Be Published
8HX4
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BU of 8hx4 by Molmil
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
8I36
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BU of 8i36 by Molmil
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
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:Crystal structure of AtHPPD-Y18980 complex
To Be Published
8HXG
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BU of 8hxg by Molmil
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
8HYO
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BU of 8hyo by Molmil
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
8HX2
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BU of 8hx2 by Molmil
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
8HZ9
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BU of 8hz9 by Molmil
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
8HYM
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BU of 8hym by Molmil
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
8I15
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BU of 8i15 by Molmil
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
8I2U
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BU of 8i2u by Molmil
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
8HZ6
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BU of 8hz6 by Molmil
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
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.605 Å)
Cite:Crystal structure of AtHPPD-QRY2089 complex
To Be Published

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PDB entries from 2024-11-06

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