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PDB: 163 results
6VY5
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BU of 6vy5 by Molmil
Crystal structure of Nipah receptor binding protein head domain in complex with human neutralizing antibody HENV-26
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Hendra receptor binding protein antibody HENV-26 Fab heavy chain, Anti-Hendra receptor binding protein antibody HENV-26 Fab light chain, ...
Authors:Dong, J, Crowe, J.E.
Deposit date:2020-02-25
Release date:2021-01-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Potent Henipavirus Neutralization by Antibodies Recognizing Diverse Sites on Hendra and Nipah Virus Receptor Binding Protein.
Cell, 183, 2020
6VY6
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BU of 6vy6 by Molmil
Crystal structure of Hendra receptor binding protein head domain in complex with human neutralizing antibody HENV-26
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Hendra receptor binding protein antibody HENV-26 Fab heavy chain, ...
Authors:Dong, J, Crowe, J.E.
Deposit date:2020-02-25
Release date:2021-01-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Potent Henipavirus Neutralization by Antibodies Recognizing Diverse Sites on Hendra and Nipah Virus Receptor Binding Protein.
Cell, 183, 2020
6P9H
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BU of 6p9h by Molmil
Crystal structure of human anti staphylococcus aureus antibody STAU-281 Fab in complex with IsdB NEAT2 domain
Descriptor: Human anti staphylococcus aureus antibody STAU-281 Fab heavy chain, Human anti staphylococcus aureus antibody STAU-281 Fab light chain, Iron-regulated heme-iron binding protein
Authors:Dong, J, Crowe, J.E.
Deposit date:2019-06-10
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Human V H 1-69 Gene-Encoded Human Monoclonal Antibodies against Staphylococcus aureus IsdB Use at Least Three Distinct Modes of Binding To Inhibit Bacterial Growth and Pathogenesis.
Mbio, 10, 2019
6CHX
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BU of 6chx by Molmil
High Resolution Crystal Structure of the Hemagglutinin H1 Head Domain of Influenza A virus Solomon Islands
Descriptor: Hemagglutinin
Authors:Dong, J, Sevy, A.M, Crowe, J.E.
Deposit date:2018-02-23
Release date:2019-02-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High Resolution Crystal Structure of the Hemagglutinin H1 Head Domain of Influenza A virus Solomon Islands
To Be Published
4TQN
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BU of 4tqn by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with UL04
Descriptor: 1,2-ETHANEDIOL, 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid, CREB-binding protein
Authors:Dong, J, Caflisch, A.
Deposit date:2014-06-11
Release date:2015-06-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of CREBBP Bromodomain Inhibitors by High-Throughput Docking and Hit Optimization Guided by Molecular Dynamics.
J.Med.Chem., 59, 2016
4RVZ
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BU of 4rvz by Molmil
Crystal structure of tRNA fluorescent labeling enzyme
Descriptor: MAGNESIUM ION, N-(4-aminobutyl)-2-azidoacetamide, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Dong, J, Li, F, Wang, J, Gong, W.
Deposit date:2014-11-29
Release date:2015-03-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A covalent approach for site-specific RNA labeling in Mammalian cells.
Angew.Chem.Int.Ed.Engl., 54, 2015
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
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structure of AtHPPD-YH20326 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
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal structure of AtHPPD-Y191193 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
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Crystal structure of AtHPPD-Y18024 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
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:Crystal structure of AtHPPD-Y18400 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
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
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Crystal structure of AtHPPD-Y181135 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
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:Crystal structure of AtHPPD-Y18980 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
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Crystal structure of AtHPPD-Y19543 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
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:Crystal structure of AtHPPD-Y181188 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
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
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Crystal structure of AtHPPD-Y18549 complex
To Be Published
8HZU
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BU of 8hzu by Molmil
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
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
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
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of AtHPPD-Y18031 complex
To Be Published
8I0Y
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BU of 8i0y by Molmil
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
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

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