6MH6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mh6 by Molmil](/molmil-images/mine/6mh6) | High-viscosity injector-based Pink Beam Serial Crystallography of Micro-crystals at a Synchrotron Radiation Source. | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Martin-Garcia, J.M, Zhu, L, Mendez, D, Lee, M, Chun, E, Li, C, Hu, H, Subramanian, G, Kissick, D, Ogata, C, Henning, R, Ishchenko, A, Dobson, Z, Zhan, S, Weierstall, U, Spence, J.C.H, Fromme, P, Zatsepin, N.A, Fischetti, R.F, Cherezov, V, Liu, W. | Deposit date: | 2018-09-17 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-viscosity injector-based pink-beam serial crystallography of microcrystals at a synchrotron radiation source. Iucrj, 6, 2019
|
|
7KOA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7koa by Molmil](/molmil-images/mine/7koa) | Room Temperature Structure of SARS-CoV-2 Nsp10/16 Methyltransferase in a Complex with Cap-0 and SAM Determined by Pink-Beam Serial Crystallography | Descriptor: | 2'-O-methyltransferase, Non-structural protein 10, P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, ... | Authors: | Wilamowski, M, Sherrell, D.A, Minasov, G, Shuvalova, L, Lavens, A, Henning, R, Maltseva, N, Rosas-Lemus, M, Kim, Y, Satchell, K.J.F, Srajer, V, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-11-07 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with Cap-0 and SAM Determined by Pink-Beam Serial Crystallography To Be Published
|
|
7FWI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fwi by Molmil](/molmil-images/mine/7fwi) | Crystal Structure of human FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid | Descriptor: | 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid, CHLORIDE ION, Fatty acid-binding protein 5 | Authors: | Ehler, A, Benz, J, Obst, U, Ning, R, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of a human FABP5 complex To be published
|
|
7FZU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fzu by Molmil](/molmil-images/mine/7fzu) | Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid | Descriptor: | 1,2-ETHANEDIOL, 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid, Fatty acid-binding protein, ... | Authors: | Ehler, A, Benz, J, Obst, U, Ning, R, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex To be published
|
|
7FXD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fxd by Molmil](/molmil-images/mine/7fxd) | Crystal Structure of human FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid | Descriptor: | 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid, Fatty acid-binding protein 5 | Authors: | Ehler, A, Benz, J, Obst, U, Ning, R, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal Structure of a human FABP5 complex To be published
|
|
7FY7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fy7 by Molmil](/molmil-images/mine/7fy7) | Crystal Structure of human FABP4 in complex with 2-(indole-1-carbonylamino)benzoic acid | Descriptor: | 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | Authors: | Ehler, A, Benz, J, Obst, U, Ning, R, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Crystal Structure of a human FABP4 complex To be published
|
|
4WLA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wla by Molmil](/molmil-images/mine/4wla) | |
4WL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wl9 by Molmil](/molmil-images/mine/4wl9) | |
6N9P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n9p by Molmil](/molmil-images/mine/6n9p) | |
6OMU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6omu by Molmil](/molmil-images/mine/6omu) | Structure of human Bruton's Tyrosine Kinase in complex with Evobrutinib | Descriptor: | 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, Tyrosine-protein kinase BTK | Authors: | Mochalkin, I, Gardberg, A.S. | Deposit date: | 2019-04-19 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases. J.Med.Chem., 62, 2019
|
|
4QT1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qt1 by Molmil](/molmil-images/mine/4qt1) | |
6DI0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6di0 by Molmil](/molmil-images/mine/6di0) | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND | Descriptor: | 6-(cyclohexylamino)pyridine-3-carboxamide, Tyrosine-protein kinase BTK | Authors: | MOCHALKIN, I. | Deposit date: | 2018-05-22 | Release date: | 2018-10-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk. Bioorg. Med. Chem. Lett., 28, 2018
|
|
6DI1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6di1 by Molmil](/molmil-images/mine/6di1) | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT FRAGMENT LIGAND | Descriptor: | 4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide, Tyrosine-protein kinase BTK | Authors: | Jiang, X. | Deposit date: | 2018-05-22 | Release date: | 2018-10-17 | Last modified: | 2018-10-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk. Bioorg. Med. Chem. Lett., 28, 2018
|
|
4EZ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ez5 by Molmil](/molmil-images/mine/4ez5) | CDK6 (monomeric) in complex with inhibitor | Descriptor: | Cyclin-dependent kinase 6, {5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone | Authors: | Chopra, R, Xu, M. | Deposit date: | 2012-05-02 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors. ACS Med Chem Lett, 3, 2012
|
|
5HD5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hd5 by Molmil](/molmil-images/mine/5hd5) | |
5HD3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hd3 by Molmil](/molmil-images/mine/5hd3) | |
5HDC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hdc by Molmil](/molmil-images/mine/5hdc) | |
5HDD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hdd by Molmil](/molmil-images/mine/5hdd) | |
5HDS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hds by Molmil](/molmil-images/mine/5hds) | |
6DI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6di5 by Molmil](/molmil-images/mine/6di5) | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR | Descriptor: | 2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | Gardberg, A. | Deposit date: | 2018-05-22 | Release date: | 2018-09-05 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg. Med. Chem. Lett., 28, 2018
|
|
7SVM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7svm by Molmil](/molmil-images/mine/7svm) | DPP8 IN COMPLEX WITH LIGAND ICeD-2 | Descriptor: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 8, trimethylamine oxide | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
|
|
7SVN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7svn by Molmil](/molmil-images/mine/7svn) | DPP9 IN COMPLEX WITH LIGAND ICeD-1 | Descriptor: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 9 | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
|
|
7SVO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7svo by Molmil](/molmil-images/mine/7svo) | DPP8 IN COMPLEX WITH LIGAND ICeD-1 | Descriptor: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 8, trimethylamine oxide | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
|
|
7SVL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7svl by Molmil](/molmil-images/mine/7svl) | DPP9 IN COMPLEX WITH LIGAND ICeD-2 | Descriptor: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9 | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
|
|
6DI3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6di3 by Molmil](/molmil-images/mine/6di3) | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND | Descriptor: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, Tyrosine-protein kinase BTK | Authors: | GARDBERG, A. | Deposit date: | 2018-05-22 | Release date: | 2018-09-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg. Med. Chem. Lett., 28, 2018
|
|