3HC8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hc8 by Molmil](/molmil-images/mine/3hc8) | Investigation of Aminopyridiopyrazinones as PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System. | Descriptor: | 6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Hughes, R.O, Stallings, W.C, Cubbage, J.W, Williams, J.M. | Deposit date: | 2009-05-05 | Release date: | 2009-07-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Investigation of aminopyridiopyrazinones as PDE5 inhibitors: Evaluation of modifications to the central ring system. Bioorg.Med.Chem.Lett., 19, 2009
|
|
4FMD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fmd by Molmil](/molmil-images/mine/4fmd) | EspG-Rab1 complex structure at 3.05 A | Descriptor: | ALUMINUM FLUORIDE, DI(HYDROXYETHYL)ETHER, EspG protein, ... | Authors: | Shao, F, Zhu, Y. | Deposit date: | 2012-06-16 | Release date: | 2012-09-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses. Cell(Cambridge,Mass.), 150, 2012
|
|
4FMC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fmc by Molmil](/molmil-images/mine/4fmc) | EspG-Rab1 complex | Descriptor: | ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Shao, F, Zhu, Y. | Deposit date: | 2012-06-16 | Release date: | 2012-09-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses. Cell(Cambridge,Mass.), 150, 2012
|
|
4FME
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fme by Molmil](/molmil-images/mine/4fme) | EspG-Rab1-Arf6 complex | Descriptor: | ADP-ribosylation factor 6, ALUMINUM FLUORIDE, EspG protein, ... | Authors: | Shao, F, Zhu, Y. | Deposit date: | 2012-06-16 | Release date: | 2012-09-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses. Cell(Cambridge,Mass.), 150, 2012
|
|
4FMB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fmb by Molmil](/molmil-images/mine/4fmb) | VirA-Rab1 complex structure | Descriptor: | ALUMINUM FLUORIDE, Cysteine protease-like virA, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Shao, F, Zhu, Y. | Deposit date: | 2012-06-16 | Release date: | 2012-09-05 | Last modified: | 2012-10-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses. Cell(Cambridge,Mass.), 150, 2012
|
|
8XXW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xxw by Molmil](/molmil-images/mine/8xxw) | Fab M2-7 complexed with SARS-Cov2 RBD and human ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, M2-7-Heavy chain, M2-7-Light chain, ... | Authors: | Liu, C, Xie, Y. | Deposit date: | 2024-01-19 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Mosaic RBD nanoparticle elicits immunodominant antibody responses across sarbecoviruses. Cell Rep, 43, 2024
|
|
4ONC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4onc by Molmil](/molmil-images/mine/4onc) | Crystal Structure of Mycobacterium Tuberculosis Decaprenyl Diphosphate Synthase in Complex with BPH-640 | Descriptor: | Decaprenyl diphosphate synthase, [hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid) | Authors: | Feng, X, Chan, H.C, Ko, T.P. | Deposit date: | 2014-01-28 | Release date: | 2014-04-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structure and Inhibition of Tuberculosinol Synthase and Decaprenyl Diphosphate Synthase from Mycobacterium tuberculosis J.Am.Chem.Soc., 136, 2014
|
|
5D8Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d8z by Molmil](/molmil-images/mine/5d8z) | Structrue of a lucidum protein | Descriptor: | beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, endoglucanase | Authors: | Guo, R, Li, Q, Shang, N, Liu, G, Ko, T.P, Chen, C.C, Liu, W. | Deposit date: | 2015-08-18 | Release date: | 2016-06-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Functional and structural analyses of a 1,4-beta-endoglucanase from Ganoderma lucidum. Enzyme.Microb.Technol., 86, 2016
|
|
7OLX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7olx by Molmil](/molmil-images/mine/7olx) | MerTK kinase domain with type 1.5 inhibitor containing a tri-methyl pyrazole group | Descriptor: | CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{N}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | Deposit date: | 2021-05-20 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy. J.Med.Chem., 64, 2021
|
|
7OLS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ols by Molmil](/molmil-images/mine/7ols) | MerTK kinase domain with type 1.5 inhibitor containing a di-methyl pyrazole group | Descriptor: | 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | Deposit date: | 2021-05-20 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy. J.Med.Chem., 64, 2021
|
|
7OLV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7olv by Molmil](/molmil-images/mine/7olv) | MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group | Descriptor: | 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | Deposit date: | 2021-05-20 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy. J.Med.Chem., 64, 2021
|
|
8DPX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dpx by Molmil](/molmil-images/mine/8dpx) | Preligand association structure of DR5 | Descriptor: | Tumor necrosis factor receptor superfamily member 10B | Authors: | Du, G, Zhao, L, Chou, J.J. | Deposit date: | 2022-07-17 | Release date: | 2023-02-15 | Method: | SOLUTION NMR | Cite: | Autoinhibitory structure of preligand association state implicates a new strategy to attain effective DR5 receptor activation. Cell Res., 33, 2023
|
|
1O77
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o77 by Molmil](/molmil-images/mine/1o77) | CRYSTAL STRUCTURE OF THE C713S MUTANT OF THE TIR DOMAIN OF HUMAN TLR2 | Descriptor: | TOLL-LIKE RECEPTOR 2 | Authors: | Tao, X, Xu, Y, Ye, Z, Beg, A.A, Tong, L. | Deposit date: | 2002-10-24 | Release date: | 2002-11-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | An Extensively Associated Dimer in the Structure of the C713S Mutant of the Tir Domain of Human Tlr2 Biochem.Biophys.Res.Commun., 299, 2002
|
|
5KL6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kl6 by Molmil](/molmil-images/mine/5kl6) | Wilms Tumor Protein (WT1) Q369R ZnF2-4 in complex with DNA | Descriptor: | DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*GP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*CP*CP*CP*CP*AP*CP*GP*C)-3'), Wilms tumor protein, ... | Authors: | Hashimoto, H, Cheng, X. | Deposit date: | 2016-06-23 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.641 Å) | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications. Nucleic Acids Res., 44, 2016
|
|
5KL4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kl4 by Molmil](/molmil-images/mine/5kl4) | Wilms Tumor Protein (WT1) ZnF2-4 Q369H in complex with formylated DNA | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(5FC)P*GP*T)-3'), ... | Authors: | Hashimoto, H, Cheng, X. | Deposit date: | 2016-06-23 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.783 Å) | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications. Nucleic Acids Res., 44, 2016
|
|
5KL5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kl5 by Molmil](/molmil-images/mine/5kl5) | Wilms Tumor Protein (WT1) ZnF2-4 Q369H in complex with carboxylated DNA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(1CC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ... | Authors: | Hashimoto, H, Cheng, X. | Deposit date: | 2016-06-23 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.289 Å) | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications. Nucleic Acids Res., 44, 2016
|
|
5KL2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kl2 by Molmil](/molmil-images/mine/5kl2) | Wilms Tumor Protein (WT1) ZnF2-4 in complex with DNA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), ... | Authors: | Hashimoto, H, Cheng, X. | Deposit date: | 2016-06-23 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.692 Å) | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications. Nucleic Acids Res., 44, 2016
|
|
5I78
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i78 by Molmil](/molmil-images/mine/5i78) | Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endo-beta-1, ... | Authors: | Liu, W.D, Yan, J.J, Li, Y.J, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-17 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase Biochem. Biophys. Res. Commun., 475, 2016
|
|
5KL3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kl3 by Molmil](/molmil-images/mine/5kl3) | Wilms Tumor Protein (WT1) ZnF2-4 Q369H in complex with DNA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), ... | Authors: | Hashimoto, H, Cheng, X. | Deposit date: | 2016-06-23 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications. Nucleic Acids Res., 44, 2016
|
|
5I79
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i79 by Molmil](/molmil-images/mine/5i79) | Crystal structure of a beta-1,4-endoglucanase mutant from Aspergillus niger in complex with sugar | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endo-beta-1, ... | Authors: | Liu, W.D, Yan, J.J, Li, Y.J, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-17 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase Biochem. Biophys. Res. Commun., 475, 2016
|
|
5I77
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i77 by Molmil](/molmil-images/mine/5i77) | Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, Y.J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-17 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase Biochem. Biophys. Res. Commun., 475, 2016
|
|
4PAR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4par by Molmil](/molmil-images/mine/4par) | The 5-Hydroxymethylcytosine-Specific Restriction Enzyme AbaSI in a Complex with Product-like DNA | Descriptor: | 1,2-ETHANEDIOL, DNA 14-MER, DNA 18-MER, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2014-04-09 | Release date: | 2014-06-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure of 5-hydroxymethylcytosine-specific restriction enzyme, AbaSI, in complex with DNA. Nucleic Acids Res., 42, 2014
|
|
7BYR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7byr by Molmil](/molmil-images/mine/7byr) | BD23-Fab in complex with the S ectodomain trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab23-Fab-Heavy Chain, ... | Authors: | Zhu, Q, Wang, G, Xiao, J. | Deposit date: | 2020-04-24 | Release date: | 2020-06-10 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (3.84 Å) | Cite: | Potent Neutralizing Antibodies against SARS-CoV-2 Identified by High-Throughput Single-Cell Sequencing of Convalescent Patients' B Cells. Cell, 182, 2020
|
|
6KNZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6knz by Molmil](/molmil-images/mine/6knz) | Crystal structure of T2R-TTL-KXO1 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{N}-(phenylmethyl)ethanamide, CALCIUM ION, ... | Authors: | Chen, Q, Yu, Y. | Deposit date: | 2019-08-07 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.475 Å) | Cite: | Reversible binding of the anticancer drug KXO1 (tirbanibulin) to the colchicine-binding site of beta-tubulin explains KXO1's low clinical toxicity. J.Biol.Chem., 294, 2019
|
|
5TRM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5trm by Molmil](/molmil-images/mine/5trm) | |