8QNH
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![BU of 8qnh by Molmil](/molmil-images/mine/8qnh) | Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23) | 分子名称: | 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | 著者 | Schimpl, M. | 登録日 | 2023-09-26 | 公開日 | 2023-11-22 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity. Acs Med.Chem.Lett., 14, 2023
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6G4Y
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![BU of 6g4y by Molmil](/molmil-images/mine/6g4y) | Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 1a | 分子名称: | 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | 著者 | Hole, A.J, Hymowitz, S.G, McEwan, P.A. | 登録日 | 2018-03-28 | 公開日 | 2018-07-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase. J. Med. Chem., 61, 2018
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6G4Z
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![BU of 6g4z by Molmil](/molmil-images/mine/6g4z) | Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 2f | 分子名称: | 5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14 | 著者 | Leonardo-Silvestre, H, McEwan, P.A, Hymowitz, S.G. | 登録日 | 2018-03-28 | 公開日 | 2018-07-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase. J. Med. Chem., 61, 2018
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6KYL
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![BU of 6kyl by Molmil](/molmil-images/mine/6kyl) | Crystal Structure of Phosphatidic acid Transporter Ups1/Mdm35 in Complex with (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate | 分子名称: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, Mitochondrial distribution and morphology protein 35, Protein UPS1, ... | 著者 | Lu, J, Chan, K.C, Zhai, Y, Fan, J, Sun, F. | 登録日 | 2019-09-19 | 公開日 | 2019-10-02 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.55 Å) | 主引用文献 | Molecular mechanism of mitochondrial phosphatidate transfer by Ups1. Commun Biol, 3, 2020
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5UI2
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![BU of 5ui2 by Molmil](/molmil-images/mine/5ui2) | CRYSTAL STRUCTURE OF ORANGE CAROTENOID PROTEIN | 分子名称: | (3'R)-3'-hydroxy-beta,beta-caroten-4-one, CHLORIDE ION, Orange carotenoid-binding protein, ... | 著者 | KERFELD, C.A, SAWAYA, M.R, VISHNU, B, KROGMANN, D, YEATES, T.O. | 登録日 | 2017-01-12 | 公開日 | 2017-01-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The crystal structure of a cyanobacterial water-soluble carotenoid binding protein. Structure, 11, 2003
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8EXO
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![BU of 8exo by Molmil](/molmil-images/mine/8exo) | Crystal structure of PI3K-alpha in complex with compound 19 | 分子名称: | 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | 登録日 | 2022-10-25 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXU
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![BU of 8exu by Molmil](/molmil-images/mine/8exu) | Crystal structure of PI3K-alpha in complex with compound 30 | 分子名称: | (2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | 登録日 | 2022-10-25 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXV
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![BU of 8exv by Molmil](/molmil-images/mine/8exv) | Crystal structure of PI3K-alpha in complex with compound 32 | 分子名称: | N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | 登録日 | 2022-10-25 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXL
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![BU of 8exl by Molmil](/molmil-images/mine/8exl) | Crystal structure of PI3K-alpha in complex with taselisib | 分子名称: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | 登録日 | 2022-10-25 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.989 Å) | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8QTG
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![BU of 8qtg by Molmil](/molmil-images/mine/8qtg) | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 9) | 分子名称: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | 著者 | Schimpl, M. | 登録日 | 2023-10-12 | 公開日 | 2024-01-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.419 Å) | 主引用文献 | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
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8QTH
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![BU of 8qth by Molmil](/molmil-images/mine/8qth) | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8) | 分子名称: | 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | 著者 | Schimpl, M. | 登録日 | 2023-10-12 | 公開日 | 2024-01-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | 主引用文献 | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
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8QTJ
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![BU of 8qtj by Molmil](/molmil-images/mine/8qtj) | Crystal structure of Cbl-b in complex with an allosteric inhibitor (compound 30) | 分子名称: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{R})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | 著者 | Schimpl, M. | 登録日 | 2023-10-12 | 公開日 | 2024-01-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.523 Å) | 主引用文献 | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
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8QTK
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![BU of 8qtk by Molmil](/molmil-images/mine/8qtk) | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 31) | 分子名称: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | 著者 | Schimpl, M. | 登録日 | 2023-10-12 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.873 Å) | 主引用文献 | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
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3EXM
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![BU of 3exm by Molmil](/molmil-images/mine/3exm) | Crystal structure of the phosphatase SC4828 with the non-hydrolyzable nucleotide GPCP | 分子名称: | CALCIUM ION, GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER, ... | 著者 | Singer, A.U, Xu, X, Zheng, H, Joachimiak, A, Edwards, A.M, Savchenko, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2008-10-16 | 公開日 | 2008-12-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structure and mechanism of a new family of prokaryotic nucleoside diphosphatases. To be Published
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3HIP
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![BU of 3hip by Molmil](/molmil-images/mine/3hip) | |
2VL2
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![BU of 2vl2 by Molmil](/molmil-images/mine/2vl2) | Oxidized and reduced forms of human peroxiredoxin 5 | 分子名称: | BENZOIC ACID, PEROXIREDOXIN-5 | 著者 | Smeets, A, Declercq, J.P. | 登録日 | 2008-01-08 | 公開日 | 2008-08-26 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.925 Å) | 主引用文献 | The Crystal Structures of Oxidized Forms of Human Peroxiredoxin 5 with an Intramolecular Disulfide Bond Confirm the Proposed Enzymatic Mechanism for Atypical 2-Cys Peroxiredoxins. Arch.Biochem.Biophys., 477, 2008
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7E9T
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![BU of 7e9t by Molmil](/molmil-images/mine/7e9t) | Nanometer resolution in situ structure of SARS-CoV-2 post-fusion spike | 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 protein S2, ... | 著者 | Zhu, Y, Tai, L, Zhu, G, Yin, G, Sun, F. | 登録日 | 2021-03-05 | 公開日 | 2021-11-17 | 最終更新日 | 2022-03-23 | 実験手法 | ELECTRON MICROSCOPY (10.9 Å) | 主引用文献 | Nanometer-resolution in situ structure of the SARS-CoV-2 postfusion spike protein. Proc.Natl.Acad.Sci.USA, 118, 2021
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9ATN
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![BU of 9atn by Molmil](/molmil-images/mine/9atn) | |
5JQM
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![BU of 5jqm by Molmil](/molmil-images/mine/5jqm) | Crystal Structure of Phosphatidic acid Transporter Ups1/Mdm35 Void of Bound Phospholipid from Saccharomyces Cerevisiae at 1.5 Angstroms Resolution | 分子名称: | Protein UPS1, mitochondrial,Mitochondrial distribution and morphology protein 35 | 著者 | Lu, J, Chan, K.C, Zhai, Y, Fan, J, Sun, F. | 登録日 | 2016-05-05 | 公開日 | 2017-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Molecular mechanism of mitochondrial phosphatidate transfer by Ups1 Commun Biol, 2020
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5JQL
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![BU of 5jql by Molmil](/molmil-images/mine/5jql) | Crystal Structure of Phosphatidic acid Transporter Ups1/Mdm35 Void of Bound Phospholipid from Saccharomyces Cerevisiae at 2.9 Angstroms Resolution | 分子名称: | Mitochondrial distribution and morphology protein 35, Protein UPS1, mitochondrial | 著者 | Lu, J, Chan, K.C, Zhai, Y, Fan, J, Sun, F. | 登録日 | 2016-05-05 | 公開日 | 2017-07-12 | 最終更新日 | 2020-09-02 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Molecular mechanism of mitochondrial phosphatidate transfer by Ups1 Commun Biol, 2020
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7CNB
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![BU of 7cnb by Molmil](/molmil-images/mine/7cnb) | |
1ADW
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![BU of 1adw by Molmil](/molmil-images/mine/1adw) | PSEUDOAZURIN | 分子名称: | COPPER (II) ION, PSEUDOAZURIN | 著者 | Williams, P.A. | 登録日 | 1997-02-18 | 公開日 | 1997-05-15 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Pseudospecific docking surfaces on electron transfer proteins as illustrated by pseudoazurin, cytochrome c550 and cytochrome cd1 nitrite reductase. Nat.Struct.Biol., 2, 1995
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6POO
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![BU of 6poo by Molmil](/molmil-images/mine/6poo) | |
2V0N
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![BU of 2v0n by Molmil](/molmil-images/mine/2v0n) | ACTIVATED RESPONSE REGULATOR PLED IN COMPLEX WITH C-DIGMP AND GTP- ALPHA-S | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), BERYLLIUM TRIFLUORIDE ION, CHLORIDE ION, ... | 著者 | Wassmann, P, Schirmer, T. | 登録日 | 2007-05-15 | 公開日 | 2007-08-21 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Structure of Bef3--Modified Response Regulator Pled: Implications for Diguanylate Cyclase Activation, Catalysis, and Feedback Inhibition Structure, 15, 2007
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7SQM
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![BU of 7sqm by Molmil](/molmil-images/mine/7sqm) | Discovery and Preclinical Pharmacology of INE963, A Potent and Fast-Acting Blood-Stage Antimalarial with a High Barrier to Resistance and Potential for Single-Dose Cure in Uncomplicated Malaria | 分子名称: | 1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine, GLYCEROL, Serine/threonine-protein kinase haspin | 著者 | Shu, W, Yokokawa, F. | 登録日 | 2021-11-05 | 公開日 | 2021-12-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Failure of artesunate-mefloquine combination therapy for uncompli-cated Plasmodium falciparum malaria in southern Cambodia. Malar. J., 2009, 8, 10, 2009
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