8TZH
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![BU of 8tzh by Molmil](/molmil-images/mine/8tzh) | Structure of full-length LRRK2 bound to MLi-2 (I2020T mutant) | Descriptor: | (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, E11 DARPin, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Sanz-Murillo, M, Villagran-Suarez, A, Alegrio Louro, J, Leschziner, A. | Deposit date: | 2023-08-26 | Release date: | 2023-12-06 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures. Sci Adv, 9, 2023
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8TZE
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![BU of 8tze by Molmil](/molmil-images/mine/8tze) | Structure of C-terminal half of LRRK2 bound to GZD-824 | Descriptor: | 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide, Leucine-rich repeat serine/threonine-protein kinase 2 | Authors: | Villagran-Suarez, A, Sanz-Murillo, M, Alegrio-Louro, J, Leschziner, A. | Deposit date: | 2023-08-26 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures. Sci Adv, 9, 2023
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8TZC
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![BU of 8tzc by Molmil](/molmil-images/mine/8tzc) | Structure of C-terminal LRRK2 bound to MLi-2 (G2019S mutant) | Descriptor: | (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, E11 DARPin, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Sanz-Murillo, M, Villagran-Suarez, A, Alegrio-Louro, J, Leschziner, A. | Deposit date: | 2023-08-26 | Release date: | 2023-12-06 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures. Sci Adv, 9, 2023
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8TZF
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![BU of 8tzf by Molmil](/molmil-images/mine/8tzf) | Structure of full length LRRK2 bound to GZD-824 (I2020T mutant) | Descriptor: | 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, ... | Authors: | Villagran-Suarez, A, Sanz-Murillo, M, Alegrio-Louro, J, Leschziner, A. | Deposit date: | 2023-08-26 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures. Sci Adv, 9, 2023
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8TZB
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![BU of 8tzb by Molmil](/molmil-images/mine/8tzb) | Structure of the C-terminal half of LRRK2 bound to GZD-824 (I2020T mutant) | Descriptor: | 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide, Leucine-rich repeat serine/threonine-protein kinase 2, designed ankyrin repeat proteins E11 | Authors: | Villagran-Suarez, A, Sanz-Murillo, M, Alegrio-Louro, J, Leschziner, A. | Deposit date: | 2023-08-26 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures. Sci Adv, 9, 2023
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8QCD
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![BU of 8qcd by Molmil](/molmil-images/mine/8qcd) | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR 4,5,6,7-TETRABROMOBENZOTRIAZOLE | Descriptor: | 1,2-ETHANEDIOL, 4,5,6,7-TETRABROMOBENZOTRIAZOLE, Casein kinase II subunit alpha' | Authors: | Werner, C, Niefind, K. | Deposit date: | 2023-08-25 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool Kinases Phosphatases, 2023
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8QCG
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![BU of 8qcg by Molmil](/molmil-images/mine/8qcg) | |
8QBU
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![BU of 8qbu by Molmil](/molmil-images/mine/8qbu) | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR CX-4945 AND THE ALPHA-D-POCKET LIGAND 3,4-DICHLORO PHENETHYLAMINE (DPA) | Descriptor: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, ... | Authors: | Werner, C, Niefind, K. | Deposit date: | 2023-08-25 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool Kinases Phosphatases, 2023
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8TYP
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![BU of 8typ by Molmil](/molmil-images/mine/8typ) | Complement Protease C1s Inhibited by 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide | Descriptor: | 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide, Complement C1s subcomponent, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Geisbrecht, B.V. | Deposit date: | 2023-08-25 | Release date: | 2023-11-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibition of the C1s Protease and the Classical Complement Pathway by 6-(4-Phenylpiperazin-1-yl)Pyridine-3-Carboximidamide and Chemical Analogs. J Immunol., 212, 2024
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8TYQ
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![BU of 8tyq by Molmil](/molmil-images/mine/8tyq) | Structure of the C-terminal half of LRRK2 bound to GZD-824 (G2019S mutant) | Descriptor: | 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide, Designed Ankyrin Repeats Protein E11, Leucine-rich repeat serine/threonine-protein kinase 2 | Authors: | Villagran-Suarez, A, Sanz-Murillo, M, Alegrio-Louro, J, Leschziner, A. | Deposit date: | 2023-08-25 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures. Sci Adv, 9, 2023
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8TYH
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![BU of 8tyh by Molmil](/molmil-images/mine/8tyh) | Plasmodium vivax PMX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-tungstotellurate(VI), Aspartyl protease, ... | Authors: | Hodder, A.N, Scally, S.W, Cowman, A.F. | Deposit date: | 2023-08-25 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Plasmodium vivax PMX To Be Published
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8TYF
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![BU of 8tyf by Molmil](/molmil-images/mine/8tyf) | Plasmodium vivax PMV-WM06 inhibitor complex | Descriptor: | (2E,4aR,7aS)-6-[(3M)-3-(2-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hodder, A.N, Scally, S.W, Czabotar, P.E, Cowman, A.F. | Deposit date: | 2023-08-25 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Plasmodium vivax PMX-XX inhibitor complex To Be Published
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8TYG
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![BU of 8tyg by Molmil](/molmil-images/mine/8tyg) | Plasmodium vivax PMV-WM08 inhibitor complex | Descriptor: | (2E,4aR,7aS)-6-[3-(4-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hodder, A.N, Scally, S.W, Cowman, A.F. | Deposit date: | 2023-08-25 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Plasmodium vivax PMV-WM08 inhibitor complex To Be Published
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8QBC
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![BU of 8qbc by Molmil](/molmil-images/mine/8qbc) | Reactive amide intermediate in sperm whale myoglobin mutant H64V V68A | Descriptor: | ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tinzl, M, Mittl, P.R.E, Hilvert, D. | Deposit date: | 2023-08-24 | Release date: | 2023-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate. J.Am.Chem.Soc., 146, 2024
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8QBA
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![BU of 8qba by Molmil](/molmil-images/mine/8qba) | Sperm whale myoblogin mutant H64V V68A in complex with glycine ethyl ester | Descriptor: | ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tinzl, M, Mittl, P.R.E, Hilvert, D. | Deposit date: | 2023-08-24 | Release date: | 2023-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate. J.Am.Chem.Soc., 146, 2024
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8TXZ
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![BU of 8txz by Molmil](/molmil-images/mine/8txz) | Structure of C-terminal LRRK2 bound to MLi-2 | Descriptor: | (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2 | Authors: | Sanz-Murillo, M, Villagran-Suarez, A, Alegrio-Louro, J, Leschziner, A. | Deposit date: | 2023-08-24 | Release date: | 2023-12-06 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures. Sci Adv, 9, 2023
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8TXY
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![BU of 8txy by Molmil](/molmil-images/mine/8txy) | X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ... | Authors: | Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M. | Deposit date: | 2023-08-24 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation. Proc.Natl.Acad.Sci.USA, 121, 2024
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8TY2
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![BU of 8ty2 by Molmil](/molmil-images/mine/8ty2) | |
8TY8
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![BU of 8ty8 by Molmil](/molmil-images/mine/8ty8) | |
8TY9
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![BU of 8ty9 by Molmil](/molmil-images/mine/8ty9) | |
8QBM
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![BU of 8qbm by Molmil](/molmil-images/mine/8qbm) | |
8QBK
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![BU of 8qbk by Molmil](/molmil-images/mine/8qbk) | |
8QBL
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![BU of 8qbl by Molmil](/molmil-images/mine/8qbl) | |
8TXG
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![BU of 8txg by Molmil](/molmil-images/mine/8txg) | Crystal structure of KRAS G12D in complex with GDP and compound 8 | Descriptor: | (4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Chen, P, Irimia, A, Yang, Z. | Deposit date: | 2023-08-23 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors. Acs Med.Chem.Lett., 14, 2023
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8TXH
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![BU of 8txh by Molmil](/molmil-images/mine/8txh) | Crystal structure of KRAS G12D in complex with GDP and compound 14 | Descriptor: | (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Chen, P, Irimia, A, Yang, Z. | Deposit date: | 2023-08-23 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors. Acs Med.Chem.Lett., 14, 2023
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