7N6Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n6z by Molmil](/molmil-images/mine/7n6z) | Crystal Structure of PI5P4KIIAlpha | Descriptor: | Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION | Authors: | Chen, S, Ha, Y. | Deposit date: | 2021-06-09 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7N7N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n7n by Molmil](/molmil-images/mine/7n7n) | Crystal Structure of PI5P4KIIAlpha complex with Volasertib | Descriptor: | N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION | Authors: | Chen, S, Ha, Y. | Deposit date: | 2021-06-10 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7N7O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n7o by Molmil](/molmil-images/mine/7n7o) | Crystal Structure of PI5P4KIIAlpha complex with Palbociclib | Descriptor: | 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION | Authors: | Chen, S, Ha, Y. | Deposit date: | 2021-06-10 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7N81
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n81 by Molmil](/molmil-images/mine/7n81) | Crystal Structure of PI5P4KIIBeta complex with CC260 | Descriptor: | (7R)-8-cyclopentyl-7-(cyclopentylmethyl)-2-[(3,5-dichloro-4-hydroxyphenyl)amino]-5-methyl-7,8-dihydropteridin-6(5H)-one, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Chen, S, Ha, Y. | Deposit date: | 2021-06-11 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7N7J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n7j by Molmil](/molmil-images/mine/7n7j) | Crystal Structure of PI5P4KIIAlpha complex with AMPPNP | Descriptor: | MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, ... | Authors: | Chen, S, Ha, Y. | Deposit date: | 2021-06-10 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7N80
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n80 by Molmil](/molmil-images/mine/7n80) | Crystal Structure of PI5P4KIIBeta | Descriptor: | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Chen, S, Ha, Y. | Deposit date: | 2021-06-11 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7N7M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n7m by Molmil](/molmil-images/mine/7n7m) | Crystal Structure of PI5P4KIIAlpha complex with BI-2536 | Descriptor: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION | Authors: | Chen, S, Ha, Y. | Deposit date: | 2021-06-10 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7N7K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n7k by Molmil](/molmil-images/mine/7n7k) | Crystal Structure of PI5P4KIIAlpha complex with AMPPNP | Descriptor: | MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, ... | Authors: | Chen, S, Ha, Y. | Deposit date: | 2021-06-10 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7N7L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n7l by Molmil](/molmil-images/mine/7n7l) | Crystal Structure of PI5P4KIIAlpha complex with BI-D1870 | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION | Authors: | Chen, S, Ha, Y. | Deposit date: | 2021-06-10 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7N71
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n71 by Molmil](/molmil-images/mine/7n71) | Crystal Structure of PI5P4KIIAlpha | Descriptor: | Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION | Authors: | Chen, S, Ha, Y. | Deposit date: | 2021-06-09 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
2PZ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pz9 by Molmil](/molmil-images/mine/2pz9) | Crystal structure of putative transcriptional regulator SCO4942 from Streptomyces coelicolor | Descriptor: | Putative regulatory protein, SULFATE ION | Authors: | Filippova, E.V, Chruszcz, M, Xu, X, Zheng, H, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-05-17 | Release date: | 2007-06-19 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | In situ proteolysis for protein crystallization and structure determination. Nat.Methods, 4, 2007
|
|
5B64
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5b64 by Molmil](/molmil-images/mine/5b64) | A novel binding mode of MAGUK GK domain revealed by DLG GK domain in complex with KIF13B MBS domain | Descriptor: | DLG GK, GLYCEROL, Protein Kif13b, ... | Authors: | Shang, Y, Zhu, J, Zhang, M. | Deposit date: | 2016-05-24 | Release date: | 2016-10-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | An Atypical MAGUK GK Target Recognition Mode Revealed by the Interaction between DLG and KIF13B Structure, 24, 2016
|
|
5JY3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jy3 by Molmil](/molmil-images/mine/5jy3) | |
5GNV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gnv by Molmil](/molmil-images/mine/5gnv) | Structure of PSD-95/MAP1A complex reveals unique target recognition mode of MAGUK GK domain | Descriptor: | Disks large homolog 4, Microtubule-associated protein 1A, SULFATE ION | Authors: | Shang, Y, Xia, Y, Zhu, R, Zhu, J. | Deposit date: | 2016-07-25 | Release date: | 2017-08-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.596 Å) | Cite: | Structure of the PSD-95/MAP1A complex reveals a unique target recognition mode of the MAGUK GK domain Biochem. J., 474, 2017
|
|
5YBE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ybe by Molmil](/molmil-images/mine/5ybe) | Structure of KANK1/KIF21A complex | Descriptor: | 1,2-ETHANEDIOL, KIF21A, Kank1 protein | Authors: | Weng, Z.F, Shang, Y, Yao, D.Q, Zhu, J.W, Zhang, R.G. | Deposit date: | 2017-09-04 | Release date: | 2017-11-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.111 Å) | Cite: | Structural analyses of key features in the KANK1/KIF21A complex yield mechanistic insights into the cross-talk between microtubules and the cell cortex. J. Biol. Chem., 293, 2018
|
|
5VQM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vqm by Molmil](/molmil-images/mine/5vqm) | Clostridium difficile TcdB-GTD bound to PA41 Fab | Descriptor: | PA41 FAB HEAVY CHAIN, PA41 FAB LIGHT CHAIN, Toxin B | Authors: | Kroh, H.K, Spiller, B.W, Lacy, D.B. | Deposit date: | 2017-05-09 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | A neutralizing antibody that blocks delivery of the enzymatic cargo of Clostridium difficile toxin TcdB into host cells. J. Biol. Chem., 293, 2018
|
|
4X3V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x3v by Molmil](/molmil-images/mine/4x3v) | Crystal structure of human ribonucleotide reductase 1 bound to inhibitor | Descriptor: | N~6~-{N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2-methyl-D-alanyl}-D-lysine, Ribonucleoside-diphosphate reductase large subunit, THYMIDINE-5'-TRIPHOSPHATE | Authors: | Dealwis, C.G, Ahmad, M.F, Alam, I. | Deposit date: | 2014-12-01 | Release date: | 2015-11-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Identification of Non-nucleoside Human Ribonucleotide Reductase Modulators. J.Med.Chem., 58, 2015
|
|
5VLR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vlr by Molmil](/molmil-images/mine/5vlr) | CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR | Descriptor: | 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Sack, J.S. | Deposit date: | 2017-04-26 | Release date: | 2017-06-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase delta (PI3K delta ) Inhibitor for the Treatment of Immunological Disorders. J. Med. Chem., 60, 2017
|
|
8USS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uss by Molmil](/molmil-images/mine/8uss) | IL17A complexed to Compound 7 | Descriptor: | 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A | Authors: | Argiriadi, M.A, Ramos, A.L. | Deposit date: | 2023-10-29 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds. J.Med.Chem., 67, 2024
|
|
8USR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8usr by Molmil](/molmil-images/mine/8usr) | IL17A homodimer complexed to Compound 23 | Descriptor: | Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide | Authors: | Argiriadi, M.A, Ramos, A.L. | Deposit date: | 2023-10-29 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds. J.Med.Chem., 67, 2024
|
|
5H65
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h65 by Molmil](/molmil-images/mine/5h65) | Crystal structure of human POT1 and TPP1 | Descriptor: | Adrenocortical dysplasia protein homolog, Protection of telomeres protein 1, ZINC ION | Authors: | Chen, C, Wu, J, Lei, M. | Deposit date: | 2016-11-10 | Release date: | 2017-05-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights into POT1-TPP1 interaction and POT1 C-terminal mutations in human cancer. Nat Commun, 8, 2017
|
|
7T9U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t9u by Molmil](/molmil-images/mine/7t9u) | Crystal structure of hSTING with an agonist (SHR169224) | Descriptor: | (3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | Authors: | Chowdhury, R, Miller, M. | Deposit date: | 2021-12-20 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis. Sci Rep, 12, 2022
|
|
7T9V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t9v by Molmil](/molmil-images/mine/7t9v) | Crystal structure of hSTING with the agonist, SHR171032 | Descriptor: | (3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | Authors: | Chowdhury, R, Miller, M. | Deposit date: | 2021-12-20 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis. Sci Rep, 12, 2022
|
|
8OU0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ou0 by Molmil](/molmil-images/mine/8ou0) | |
3QOD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qod by Molmil](/molmil-images/mine/3qod) | Crystal Structure of Heterocyst Differentiation Protein, HetR from Fischerella mv11 | Descriptor: | Heterocyst differentiation protein | Authors: | Kim, Y, Joachimiak, G, Gornicki, P, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-02-09 | Release date: | 2011-04-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.38 Å) | Cite: | Structure of transcription factor HetR required for heterocyst differentiation in cyanobacteria. Proc.Natl.Acad.Sci.USA, 108, 2011
|
|