6S3D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s3d by Molmil](/molmil-images/mine/6s3d) | |
7ZSD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zsd by Molmil](/molmil-images/mine/7zsd) | cryo-EM structure of omicron spike in complex with de novo designed binder, local | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder | 著者 | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | 登録日 | 2022-05-06 | 公開日 | 2023-03-01 | 最終更新日 | 2023-05-24 | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | 主引用文献 | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
|
|
7ZSS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zss by Molmil](/molmil-images/mine/7zss) | cryo-EM structure of D614 spike in complex with de novo designed binder | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | 著者 | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | 登録日 | 2022-05-08 | 公開日 | 2023-03-01 | 最終更新日 | 2023-05-24 | 実験手法 | ELECTRON MICROSCOPY (2.63 Å) | 主引用文献 | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
|
|
7ZRV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zrv by Molmil](/molmil-images/mine/7zrv) | cryo-EM structure of omicron spike in complex with de novo designed binder, full map | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, ... | 著者 | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | 登録日 | 2022-05-05 | 公開日 | 2023-03-08 | 最終更新日 | 2023-05-24 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
|
|
3UOX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uox by Molmil](/molmil-images/mine/3uox) | Crystal Structure of OTEMO (FAD bound form 2) | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, OTEMO | 著者 | Shi, R, Matte, A, Cygler, M, Lau, P. | 登録日 | 2011-11-17 | 公開日 | 2012-02-01 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.956 Å) | 主引用文献 | Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453. Appl.Environ.Microbiol., 78, 2012
|
|
3UOZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uoz by Molmil](/molmil-images/mine/3uoz) | Crystal Structure of OTEMO complex with FAD and NADP (form 2) | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OTEMO | 著者 | Shi, R, Matte, A, Cygler, M, Lau, P. | 登録日 | 2011-11-17 | 公開日 | 2012-02-01 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.407 Å) | 主引用文献 | Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453. Appl.Environ.Microbiol., 78, 2012
|
|
3UOY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uoy by Molmil](/molmil-images/mine/3uoy) | Crystal Structure of OTEMO complex with FAD and NADP (form 1) | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OTEMO, ... | 著者 | Shi, R, Matte, A, Cygler, M, Lau, P. | 登録日 | 2011-11-17 | 公開日 | 2012-02-01 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453. Appl.Environ.Microbiol., 78, 2012
|
|
3UOV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uov by Molmil](/molmil-images/mine/3uov) | Crystal Structure of OTEMO (FAD bound form 1) | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, OTEMO | 著者 | Shi, R, Matte, A, Cygler, M, Lau, P. | 登録日 | 2011-11-17 | 公開日 | 2012-02-01 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.045 Å) | 主引用文献 | Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453. Appl.Environ.Microbiol., 78, 2012
|
|
3UP5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3up5 by Molmil](/molmil-images/mine/3up5) | Crystal Structure of OTEMO complex with FAD and NADP (form 4) | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OTEMO | 著者 | Shi, R, Matte, A, Cygler, M, Lau, P. | 登録日 | 2011-11-17 | 公開日 | 2012-02-01 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.453 Å) | 主引用文献 | Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453. Appl.Environ.Microbiol., 78, 2012
|
|
3UP4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3up4 by Molmil](/molmil-images/mine/3up4) | Crystal Structure of OTEMO complex with FAD and NADP (form 3) | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OTEMO | 著者 | Shi, R, Matte, A, Cygler, M, Lau, P. | 登録日 | 2011-11-17 | 公開日 | 2012-02-01 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.804 Å) | 主引用文献 | Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453. Appl.Environ.Microbiol., 78, 2012
|
|
8BD9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bd9 by Molmil](/molmil-images/mine/8bd9) | Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 10 | 分子名称: | 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ... | 著者 | Tassone, G, Pozzi, C, Palomba, T. | 登録日 | 2022-10-18 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design. Int J Mol Sci, 23, 2022
|
|
8BDY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bdy by Molmil](/molmil-images/mine/8bdy) | Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 9 | 分子名称: | 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ... | 著者 | Tassone, G, Pozzi, C, Palomba, T. | 登録日 | 2022-10-20 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design. Int J Mol Sci, 23, 2022
|
|
8BD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bd8 by Molmil](/molmil-images/mine/8bd8) | Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 8 | 分子名称: | 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ... | 著者 | Tassone, G, Pozzi, C, Palomba, T. | 登録日 | 2022-10-18 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design. Int J Mol Sci, 23, 2022
|
|
7XAD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xad by Molmil](/molmil-images/mine/7xad) | Crystal strucutre of PD-L1 and DBL2_02 designed protein binder | 分子名称: | DBL2_02 binder, Programmed cell death 1 ligand 1 | 著者 | Liu, K.F, Xu, Z.P, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S.G. | 登録日 | 2022-03-17 | 公開日 | 2023-04-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
|
|
7XYQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xyq by Molmil](/molmil-images/mine/7xyq) | Crystal strucutre of PD-L1 and the computationally designed DBL1_03 protein binder | 分子名称: | ARGININE, CD274 molecule, DBL1_03 | 著者 | Liu, K, Xu, Z, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S. | 登録日 | 2022-06-02 | 公開日 | 2023-04-12 | 最終更新日 | 2023-05-17 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
|
|
6VTW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vtw by Molmil](/molmil-images/mine/6vtw) | |
2QX3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qx3 by Molmil](/molmil-images/mine/2qx3) | |
2QY1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qy1 by Molmil](/molmil-images/mine/2qy1) | pectate lyase A31G/R236F from Xanthomonas campestris | 分子名称: | PHOSPHATE ION, Pectate lyase II | 著者 | Garron, M.L, Shaya, D. | 登録日 | 2007-08-13 | 公開日 | 2008-02-26 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Improvement of the thermostability and activity of a pectate lyase by single amino acid substitutions, using a strategy based on melting-temperature-guided sequence alignment. Appl.Environ.Microbiol., 74, 2008
|
|
2QXZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qxz by Molmil](/molmil-images/mine/2qxz) | pectate lyase R236F from Xanthomonas campestris | 分子名称: | PHOSPHATE ION, pectate lyase II | 著者 | Garron, M.L, Shaya, D. | 登録日 | 2007-08-13 | 公開日 | 2008-03-04 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Improvement of the thermostability and activity of a pectate lyase by single amino acid substitutions, using a strategy based on melting-temperature-guided sequence alignment. Appl.Environ.Microbiol., 74, 2008
|
|
1A42
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1a42 by Molmil](/molmil-images/mine/1a42) | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH BRINZOLAMIDE | 分子名称: | (4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | 著者 | Boriack-Sjodin, P.A, Christianson, D.W. | 登録日 | 1998-02-10 | 公開日 | 1999-03-23 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination. Protein Sci., 7, 1998
|
|
7RWG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rwg by Molmil](/molmil-images/mine/7rwg) | "Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-43192 | 分子名称: | (8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Jin, L, Padyana, A.K. | 登録日 | 2021-08-19 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | 主引用文献 | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
|
|
7RWH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rwh by Molmil](/molmil-images/mine/7rwh) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-41998 | 分子名称: | 1,2-ETHANEDIOL, 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol, CHLORIDE ION, ... | 著者 | Jin, L, Padyana, A.K. | 登録日 | 2021-08-19 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
|
|
7RW7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rw7 by Molmil](/molmil-images/mine/7rw7) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 9 | 分子名称: | (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Jin, L, Padyana, A.K. | 登録日 | 2021-08-19 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
|
|
7RW5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rw5 by Molmil](/molmil-images/mine/7rw5) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 1 | 分子名称: | (3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | 著者 | Jin, L, Padyana, A.K. | 登録日 | 2021-08-19 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
|
|
7KCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kcf by Molmil](/molmil-images/mine/7kcf) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-24512 | 分子名称: | 1,2-ETHANEDIOL, 6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one, GLYCEROL, ... | 著者 | Padyana, A, Jin, L. | 登録日 | 2020-10-05 | 公開日 | 2021-04-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion. J.Med.Chem., 64, 2021
|
|