6E9I
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![BU of 6e9i by Molmil](/molmil-images/mine/6e9i) | The crystal structure of bovine ultralong antibody BOV-4 | Descriptor: | Bovine ultralong antibody BOV-4 heavy chain, Bovine ultralong antibody BOV-4 light chain | Authors: | Dong, J, Crowe, J.E. | Deposit date: | 2018-08-01 | Release date: | 2019-05-01 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Diversity of Ultralong CDRH3s in Seven Bovine Antibody Heavy Chains. Front Immunol, 10, 2019
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6E9G
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![BU of 6e9g by Molmil](/molmil-images/mine/6e9g) | The crystal structure of bovine ultralong antibody BOV-2 | Descriptor: | Bovine ultralong antibody BOV-2 heavy chain, Bovine ultralong antibody BOV-2 light chain | Authors: | Dong, J, Crowe, J.E. | Deposit date: | 2018-08-01 | Release date: | 2019-05-01 | Method: | X-RAY DIFFRACTION (2.904 Å) | Cite: | Structural Diversity of Ultralong CDRH3s in Seven Bovine Antibody Heavy Chains. Front Immunol, 10, 2019
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4P5Q
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![BU of 4p5q by Molmil](/molmil-images/mine/4p5q) | Human EphA3 Kinase domain in complex with quinoxaline derivatives | Descriptor: | 2-amino-1-(2-chlorophenyl)-N-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Ephrin type-A receptor 3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2014-03-19 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation. J.Med.Chem., 57, 2014
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4P4C
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![BU of 4p4c by Molmil](/molmil-images/mine/4p4c) | Human EphA3 Kinase domain in complex with quinoxaline derivatives | Descriptor: | 2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, EPH receptor A3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2014-03-12 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation. J.Med.Chem., 57, 2014
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4PCE
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![BU of 4pce by Molmil](/molmil-images/mine/4pce) | Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13 | Descriptor: | 1,2-ETHANEDIOL, 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one, Bromodomain-containing protein 4 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2014-04-15 | Release date: | 2014-05-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.293 Å) | Cite: | Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking. Bioorg.Med.Chem.Lett., 24, 2014
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4GES
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![BU of 4ges by Molmil](/molmil-images/mine/4ges) | crystal structure of GFP-TYR151PYZ with an unnatural amino acid incorporation | Descriptor: | Green fluorescent protein | Authors: | Dong, J, Liu, X, Li, J, Wang, J, Gong, W. | Deposit date: | 2012-08-02 | Release date: | 2012-08-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Genetic incorporation of a metal-chelating amino Acid as a probe for protein electron transfer. Angew.Chem.Int.Ed.Engl., 51, 2012
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4GK3
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![BU of 4gk3 by Molmil](/molmil-images/mine/4gk3) | Human EphA3 Kinase domain in complex with ligand 87 | Descriptor: | 8-butyl-1-methyl-7-(2-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, EPH receptor A3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2012-08-10 | Release date: | 2013-01-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Optimization of Inhibitors of the Tyrosine Kinase EphB4. 2. Cellular Potency Improvement and Binding Mode Validation by X-ray Crystallography. J.Med.Chem., 56, 2013
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4GK2
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![BU of 4gk2 by Molmil](/molmil-images/mine/4gk2) | Human EphA3 Kinase domain in complex with ligand 66 | Descriptor: | 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, EPH receptor A3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2012-08-10 | Release date: | 2013-01-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.195 Å) | Cite: | Optimization of Inhibitors of the Tyrosine Kinase EphB4. 2. Cellular Potency Improvement and Binding Mode Validation by X-ray Crystallography. J.Med.Chem., 56, 2013
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4GK4
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![BU of 4gk4 by Molmil](/molmil-images/mine/4gk4) | Human EphA3 Kinase domain in complex with ligand 90 | Descriptor: | 8-butyl-1-methyl-7-(5-methyl-1H-indazol-4-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, EPH receptor A3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2012-08-10 | Release date: | 2013-01-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Optimization of Inhibitors of the Tyrosine Kinase EphB4. 2. Cellular Potency Improvement and Binding Mode Validation by X-ray Crystallography. J.Med.Chem., 56, 2013
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8HWK
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![BU of 8hwk by Molmil](/molmil-images/mine/8hwk) | Limosilactobacillus reuteri N1 GtfB-maltohexaose | Descriptor: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | Authors: | Dong, J.J, Bai, Y.X. | Deposit date: | 2022-12-30 | Release date: | 2024-01-03 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme. J.Agric.Food Chem., 72, 2024
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8HW3
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![BU of 8hw3 by Molmil](/molmil-images/mine/8hw3) | Limosilactobacillus reuteri N1 GtfB-acarbose | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, GLYCEROL, SODIUM ION, ... | Authors: | Dong, J.J, Bai, Y.X. | Deposit date: | 2022-12-28 | Release date: | 2024-01-03 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme. J.Agric.Food Chem., 72, 2024
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4G2F
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![BU of 4g2f by Molmil](/molmil-images/mine/4g2f) | Human EphA3 kinase domain in complex with compound 7 | Descriptor: | 1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5H)-one, EPH receptor A3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2012-07-12 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Discovery of a novel chemotype of tyrosine kinase inhibitors by fragment-based docking and molecular dynamics. ACS MED.CHEM.LETT., 3, 2012
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8IM3
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![BU of 8im3 by Molmil](/molmil-images/mine/8im3) | 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
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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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8HXH
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![BU of 8hxh by Molmil](/molmil-images/mine/8hxh) | 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
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8HZA
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![BU of 8hza by Molmil](/molmil-images/mine/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
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![BU of 8hys by Molmil](/molmil-images/mine/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
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![BU of 8hwr by Molmil](/molmil-images/mine/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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8I36
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![BU of 8i36 by Molmil](/molmil-images/mine/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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8HYP
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![BU of 8hyp by Molmil](/molmil-images/mine/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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8HZ7
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![BU of 8hz7 by Molmil](/molmil-images/mine/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
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![BU of 8i0g by Molmil](/molmil-images/mine/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
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![BU of 8hxf by Molmil](/molmil-images/mine/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
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![BU of 8i2p by Molmil](/molmil-images/mine/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
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![BU of 8hx4 by Molmil](/molmil-images/mine/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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