6X3N
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6x3n by Molmil](/molmil-images/mine/6x3n) | Co-structure of BTK kinase domain with L-005085737 inhibitor | Descriptor: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | Authors: | Fischmann, T.O. | Deposit date: | 2020-05-21 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes. Bioorg.Med.Chem.Lett., 30, 2020
|
|
6X3O
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6x3o by Molmil](/molmil-images/mine/6x3o) | Co-structure of BTK kinase domain with L-005191930 inhibitor | Descriptor: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | Authors: | Fischmann, T.O. | Deposit date: | 2020-05-21 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes. Bioorg.Med.Chem.Lett., 30, 2020
|
|
8V52
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8v52 by Molmil](/molmil-images/mine/8v52) | |
6CBV
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6cbv by Molmil](/molmil-images/mine/6cbv) | Crystal structure of BRIL bound to an affinity matured synthetic antibody. | Descriptor: | BRIL, FORMIC ACID, GLYCEROL, ... | Authors: | Mukherjee, S, Skrobek, B, Kossiakoff, A.A. | Deposit date: | 2018-02-05 | Release date: | 2019-02-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.872 Å) | Cite: | Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins. Nat Commun, 11, 2020
|
|
6CPW
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6cpw by Molmil](/molmil-images/mine/6cpw) | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology | Descriptor: | (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Hruza, A, Hruza, A. | Deposit date: | 2018-03-14 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology. Bioorg. Med. Chem. Lett., 28, 2018
|
|
6USF
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6usf by Molmil](/molmil-images/mine/6usf) | CryoEM structure of human alpha4beta2 nicotinic acetylcholine receptor with varenicline in complex with anti-BRIL synthetic antibody BAK5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, ... | Authors: | Alvarez, F.J.D, Mukherjee, S, Han, S, Ammirati, M, Kossiakoff, A.A. | Deposit date: | 2019-10-26 | Release date: | 2020-04-29 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.87 Å) | Cite: | Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins. Nat Commun, 11, 2020
|
|
6UR8
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6ur8 by Molmil](/molmil-images/mine/6ur8) | CryoEM structure of human alpha4beta2 nicotinic acetylcholine receptor in complex with varenicline | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Chimera of soluble cytochrome b562 (BRIL) and neuronal acetylcholine receptor subunit alpha-4, Neuronal acetylcholine receptor subunit beta-2, ... | Authors: | Alvarez, F.J.D, Mukherjee, S, Han, S, Ammirati, M, Kossiakoff, A.A. | Deposit date: | 2019-10-22 | Release date: | 2020-04-29 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.71 Å) | Cite: | Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins. Nat Commun, 11, 2020
|
|
8FTI
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8fti by Molmil](/molmil-images/mine/8fti) | |
1O63
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1o63 by Molmil](/molmil-images/mine/1o63) | |
1O6C
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1o6c by Molmil](/molmil-images/mine/1o6c) | |
1O66
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1o66 by Molmil](/molmil-images/mine/1o66) | |
1O60
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1o60 by Molmil](/molmil-images/mine/1o60) | Crystal structure of KDO-8-phosphate synthase | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase | Authors: | Structural GenomiX | Deposit date: | 2003-10-23 | Release date: | 2003-11-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
|
|
1O67
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1o67 by Molmil](/molmil-images/mine/1o67) | Crystal structure of an hypothetical protein | Descriptor: | Hypothetical protein yiiM | Authors: | Structural GenomiX | Deposit date: | 2003-10-23 | Release date: | 2003-11-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
|
|
1O62
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1o62 by Molmil](/molmil-images/mine/1o62) | |
1O64
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1o64 by Molmil](/molmil-images/mine/1o64) | |
1O65
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1o65 by Molmil](/molmil-images/mine/1o65) | Crystal structure of an hypothetical protein | Descriptor: | Hypothetical protein yiiM | Authors: | Structural GenomiX | Deposit date: | 2003-10-23 | Release date: | 2003-11-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
|
|
1O61
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1o61 by Molmil](/molmil-images/mine/1o61) | Crystal structure of a PLP-dependent enzyme with PLP | Descriptor: | ACETATE ION, PYRIDOXAL-5'-PHOSPHATE, aminotransferase | Authors: | Structural GenomiX | Deposit date: | 2003-10-23 | Release date: | 2003-11-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
|
|
1O68
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1o68 by Molmil](/molmil-images/mine/1o68) | |
1O6D
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1o6d by Molmil](/molmil-images/mine/1o6d) | Crystal structure of a hypothetical protein | Descriptor: | Hypothetical UPF0247 protein TM0844 | Authors: | Structural GenomiX | Deposit date: | 2003-11-03 | Release date: | 2003-11-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
|
|
6O8C
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6o8c by Molmil](/molmil-images/mine/6o8c) | Crystal structure of STING CTT in complex with TBK1 | Descriptor: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein | Authors: | Li, P, Zhao, B, Du, F. | Deposit date: | 2019-03-09 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1. Nature, 569, 2019
|
|
1O69
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1o69 by Molmil](/molmil-images/mine/1o69) | Crystal structure of a PLP-dependent enzyme | Descriptor: | (2-AMINO-4-FORMYL-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, BETA-MERCAPTOETHANOL, aminotransferase | Authors: | Structural GenomiX | Deposit date: | 2003-10-23 | Release date: | 2003-11-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
|
|
6O8B
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6o8b by Molmil](/molmil-images/mine/6o8b) | Crystal structure of STING CTD in complex with TBK1 | Descriptor: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein | Authors: | Li, P, Zhao, B, Du, F. | Deposit date: | 2019-03-09 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1. Nature, 569, 2019
|
|
1O6B
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1o6b by Molmil](/molmil-images/mine/1o6b) | |
8HRJ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8hrj by Molmil](/molmil-images/mine/8hrj) | |
8HRL
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8hrl by Molmil](/molmil-images/mine/8hrl) | SARS-CoV-2 Delta S-RBD-ACE2 | Descriptor: | Processed angiotensin-converting enzyme 2, Spike protein S1 | Authors: | Xu, J, Meng, F, Liu, N, Wang, H.W. | Deposit date: | 2022-12-15 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Self-assembled monolayers guided free-standing atomic-crystal/molecule superstructure To Be Published
|
|