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
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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
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8V52
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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
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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
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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
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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
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8FTI
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1O63
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1O6C
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1O66
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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
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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
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1O62
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1O64
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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
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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
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1O68
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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
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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
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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
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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
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1O6B
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8HRJ
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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
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