2B0K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b0k by Molmil](/molmil-images/mine/2b0k) | Crystal structure of the DB921-D(CGCGAATTCGCG)2 complex. | Descriptor: | 2-(4'-AMIDINOBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-AMIDINE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | Authors: | Miao, Y, Lee, M.P, Parkinson, G.N, Batista-Parra, A, Ismail, M.A, Neidle, S, Boykin, D.W, Wilson, W.D. | Deposit date: | 2005-09-14 | Release date: | 2005-11-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Out-of-Shape DNA Minor Groove Binders: Induced Fit Interactions of Heterocyclic Dications with the DNA Minor Groove. Biochemistry, 44, 2005
|
|
8BPW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bpw by Molmil](/molmil-images/mine/8bpw) | Crystal structure of JAK2 JH1 in complex with lestaurtinib | Descriptor: | Lestaurtinib, Tyrosine-protein kinase JAK2 | Authors: | Miao, Y, Haikarainen, T. | Deposit date: | 2022-11-18 | Release date: | 2023-11-29 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
|
|
8BPV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bpv by Molmil](/molmil-images/mine/8bpv) | Crystal structure of JAK2 JH1 in complex with pacritinib | Descriptor: | 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, Tyrosine-protein kinase JAK2 | Authors: | Miao, Y, Haikarainen, T. | Deposit date: | 2022-11-18 | Release date: | 2023-11-29 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
|
|
8BM2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bm2 by Molmil](/molmil-images/mine/8bm2) | Crystal structure of JAK2 JH1 in complex with gandotinib | Descriptor: | 3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine, Tyrosine-protein kinase JAK2 | Authors: | Miao, Y, Haikarainen, T. | Deposit date: | 2022-11-10 | Release date: | 2023-11-22 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
|
|
5DXF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dxf by Molmil](/molmil-images/mine/5dxf) | |
5DXI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dxi by Molmil](/molmil-images/mine/5dxi) | Structure of C. albicans Trehalose-6-phosphate phosphatase C-terminal domain | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, ... | Authors: | Miao, Y, Brennan, R.G. | Deposit date: | 2015-09-23 | Release date: | 2016-06-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of trehalose-6-phosphate phosphatase from pathogenic fungi reveal the mechanisms of substrate recognition and catalysis. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5DXL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dxl by Molmil](/molmil-images/mine/5dxl) | |
5DXN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dxn by Molmil](/molmil-images/mine/5dxn) | |
5DX9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dx9 by Molmil](/molmil-images/mine/5dx9) | Structure of trehalose-6-phosphate phosphatase from Cryptococcus neoformans | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ... | Authors: | Miao, Y, Brennan, R.G. | Deposit date: | 2015-09-23 | Release date: | 2016-06-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structures of trehalose-6-phosphate phosphatase from pathogenic fungi reveal the mechanisms of substrate recognition and catalysis. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5DXO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dxo by Molmil](/molmil-images/mine/5dxo) | |
5HVL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hvl by Molmil](/molmil-images/mine/5hvl) | Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP and validoxylamine A | Descriptor: | (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, Alpha,alpha-trehalose-phosphate synthase [UDP-forming], SULFATE ION, ... | Authors: | Miao, Y, Brennan, R.G. | Deposit date: | 2016-01-28 | Release date: | 2017-05-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design. MBio, 8, 2017
|
|
5HVO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hvo by Molmil](/molmil-images/mine/5hvo) | Structure of Aspergillus fumigatus trehalose-6-phosphate synthase B in complex with UDP and validoxylamine A | Descriptor: | (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, Alpha,alpha-trehalose-phosphate synthase (UDP-forming), URIDINE-5'-DIPHOSPHATE | Authors: | Miao, Y, Brennan, R.G. | Deposit date: | 2016-01-28 | Release date: | 2017-05-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.467 Å) | Cite: | Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design. MBio, 8, 2017
|
|
5HUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5huv by Molmil](/molmil-images/mine/5huv) | |
5HUS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hus by Molmil](/molmil-images/mine/5hus) | |
5HUT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hut by Molmil](/molmil-images/mine/5hut) | Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP-glucose | Descriptor: | Alpha,alpha-trehalose-phosphate synthase [UDP-forming], PENTAETHYLENE GLYCOL, SODIUM ION, ... | Authors: | Miao, Y, Brennan, R.G. | Deposit date: | 2016-01-27 | Release date: | 2017-05-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design. MBio, 8, 2017
|
|
5HUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5huu by Molmil](/molmil-images/mine/5huu) | Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP and glucose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Alpha,alpha-trehalose-phosphate synthase [UDP-forming], URIDINE-5'-DIPHOSPHATE | Authors: | Miao, Y, Brennan, R.G. | Deposit date: | 2016-01-27 | Release date: | 2017-05-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design. MBio, 8, 2017
|
|
5HVM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hvm by Molmil](/molmil-images/mine/5hvm) | Structure of Aspergillus fumigatus trehalose-6-phosphate synthase A in complex with UDP and validoxylamine A | Descriptor: | (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, Alpha,alpha-trehalose-phosphate synthase (UDP-forming), URIDINE-5'-DIPHOSPHATE | Authors: | Miao, Y, Brennan, R.G. | Deposit date: | 2016-01-28 | Release date: | 2017-05-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.815 Å) | Cite: | Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design. MBio, 8, 2017
|
|
7R85
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r85 by Molmil](/molmil-images/mine/7r85) | Structure of mouse Bai1 (ADGRB1) TSR3 domain | Descriptor: | Vasculostatin-120, alpha-D-mannopyranose, beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose | Authors: | Miao, Y, Jude, K.M, Garcia, K.C. | Deposit date: | 2021-06-26 | Release date: | 2021-11-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development. Cell, 184, 2021
|
|
7R84
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r84 by Molmil](/molmil-images/mine/7r84) | |
7R86
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r86 by Molmil](/molmil-images/mine/7r86) | Structure of mouse BAI1 (ADGRB1) in complex with mouse Nogo receptor (RTN4R) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AMINOBENZOIC ACID, ... | Authors: | Miao, Y, Jude, K.M, Garcia, K.C. | Deposit date: | 2021-06-26 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development. Cell, 184, 2021
|
|
6NE2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ne2 by Molmil](/molmil-images/mine/6ne2) | Designed repeat protein in complex with Fz7 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Miao, Y, Jude, K.M, Garcia, K.C. | Deposit date: | 2018-12-15 | Release date: | 2019-05-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.299 Å) | Cite: | Receptor subtype discrimination using extensive shape complementary designed interfaces. Nat.Struct.Mol.Biol., 26, 2019
|
|
6NE1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ne1 by Molmil](/molmil-images/mine/6ne1) | Designed repeat protein in complex with Fz4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-4, Pfs, ... | Authors: | Miao, Y, Jude, K.M, Garcia, K.C. | Deposit date: | 2018-12-15 | Release date: | 2019-05-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.011 Å) | Cite: | Receptor subtype discrimination using extensive shape complementary designed interfaces. Nat.Struct.Mol.Biol., 26, 2019
|
|
6NE4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ne4 by Molmil](/molmil-images/mine/6ne4) | Designed repeat protein specifically in complex with Fz7CRD | Descriptor: | 1,2-ETHANEDIOL, Designed repeat binding protein, Frizzled-7, ... | Authors: | Miao, Y, Jude, K.M, Garcia, K.C. | Deposit date: | 2018-12-16 | Release date: | 2019-05-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.648 Å) | Cite: | Receptor subtype discrimination using extensive shape complementary designed interfaces. Nat.Struct.Mol.Biol., 26, 2019
|
|
6NDZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ndz by Molmil](/molmil-images/mine/6ndz) | Designed repeat protein in complex with Fz8 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ACETIC ACID, ... | Authors: | Miao, Y, Jude, K.M, Garcia, K.C. | Deposit date: | 2018-12-14 | Release date: | 2019-05-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.264 Å) | Cite: | Receptor subtype discrimination using extensive shape complementary designed interfaces. Nat.Struct.Mol.Biol., 26, 2019
|
|
6M4C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m4c by Molmil](/molmil-images/mine/6m4c) | C. albicans actin interacting protein Aip5 | Descriptor: | C. albicans actin interacting protein Aip5 | Authors: | Loh, Z.Y, Gao, Y.G, Xie, Y, Miao, Y. | Deposit date: | 2020-03-06 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Orchestrated actin nucleation by the Candida albicans polarisome complex enables filamentous growth. J.Biol.Chem., 295, 2020
|
|