4JAM
| Crystal structure of broadly neutralizing anti-hiv-1 antibody ch103 | Descriptor: | 1,2-ETHANEDIOL, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ... | Authors: | Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D. | Deposit date: | 2013-02-18 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus. Nature, 496, 2013
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6IZQ
| PRMT4 bound with a bicyclic compound | Descriptor: | (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol, Histone-arginine methyltransferase CARM1 | Authors: | Xiong, B, Cao, D.Y, Guo, Z.H, Li, Y.L, Li, J, Huang, X, Shen, J.K. | Deposit date: | 2018-12-20 | Release date: | 2019-12-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.449 Å) | Cite: | Design and Synthesis of Potent, Selective Inhibitors of Protein Arginine Methyltransferase 4 against Acute Myeloid Leukemia. J.Med.Chem., 62, 2019
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2LH0
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4OTF
| Crystal structure of the kinase domain of Bruton's Tyrosine kinase with GDC0834 | Descriptor: | N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | Authors: | Hymowitz, S.G, Maurer, B. | Deposit date: | 2014-02-13 | Release date: | 2015-01-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Potent and selective Bruton's tyrosine kinase inhibitors: Discovery of GDC-0834. Bioorg.Med.Chem.Lett., 25, 2015
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2LWK
| Solution structure of small molecule-influenza RNA complex | Descriptor: | 6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine, RNA (32-MER) | Authors: | Lee, M.-K, Varani, G, Choi, B.-S, Pellecchia, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2012-08-01 | Release date: | 2012-08-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A novel small-molecule binds to the influenza A virus RNA promoter and inhibits viral replication. Chem.Commun.(Camb.), 50, 2014
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6VFE
| Gasdermin D pore | Descriptor: | Gasdermin-D, N-terminal | Authors: | Xia, S, Ruan, J, Wu, H. | Deposit date: | 2020-01-03 | Release date: | 2021-04-21 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Gasdermin D pore structure reveals preferential release of mature interleukin-1. Nature, 593, 2021
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4M97
| Calcium-Dependent Protein Kinase 1 from Neospora caninum | Descriptor: | Calmodulin-like domain protein kinase isoenzyme gamma, related | Authors: | Merritt, E.A. | Deposit date: | 2013-08-14 | Release date: | 2013-10-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014
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4PUZ
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2JTM
| Solution structure of Sso6901 from Sulfolobus solfataricus P2 | Descriptor: | Putative uncharacterized protein | Authors: | Feng, Y, Guo, L, Huang, L, Wang, J. | Deposit date: | 2007-08-03 | Release date: | 2008-04-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Biochemical and structural characterization of Cren7, a novel chromatin protein conserved among Crenarchaea Nucleic Acids Res., 36, 2008
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4PV0
| Crystal structure of spleen tyrosine kinase (Syk) in complex with an imidazopyrazine inhibitor | Descriptor: | 4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid, CHLORIDE ION, Tyrosine-protein kinase SYK | Authors: | Lansdon, E.B, Mitchell, S.A. | Deposit date: | 2014-03-14 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of GS-9973, a Selective and Orally Efficacious Inhibitor of Spleen Tyrosine Kinase. J.Med.Chem., 57, 2014
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6WIM
| CdiB from Escherichia coli | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Outer membrane transporter CdiB | Authors: | Guerin, J, Botos, I, Buchanan, S.K. | Deposit date: | 2020-04-10 | Release date: | 2020-11-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insight into toxin secretion by contact dependent growth inhibition transporters. Elife, 9, 2020
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6UKA
| Crystal structure of RHOG and ELMO complex | Descriptor: | Engulfment and cell motility protein 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Jo, C.H, Killoran, R.C, Smith, M.J. | Deposit date: | 2019-10-04 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state. Nat Commun, 11, 2020
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7WW2
| Structure of an Isocytosine specific deaminase Vcz | Descriptor: | 8-oxoguanine deaminase, ZINC ION | Authors: | Li, X.J, Wu, B.X. | Deposit date: | 2022-02-12 | Release date: | 2023-02-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy. Iscience, 26, 2023
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2MG8
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4MXA
| CDPK1 from Neospora caninum in complex with inhibitor RM-1-132 | Descriptor: | 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related | Authors: | Merritt, E.A. | Deposit date: | 2013-09-26 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014
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4MX9
| CDPK1 from Neospora caninum in complex with inhibitor UW1294 | Descriptor: | 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related | Authors: | Merritt, E.A. | Deposit date: | 2013-09-26 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014
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4RX5
| Bruton's tyrosine kinase (BTK) with pyridazinone compound 23 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, N-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide, ... | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2014-12-08 | Release date: | 2015-12-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.356 Å) | Cite: | Discovery of highly potent and selective Bruton's tyrosine kinase inhibitors: Pyridazinone analogs with improved metabolic stability. Bioorg.Med.Chem.Lett., 26, 2016
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3SXF
| Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89 | Descriptor: | 1,2-ETHANEDIOL, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | Authors: | Larson, E.T, Merritt, E.A. | Deposit date: | 2011-07-14 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
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3T3V
| Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-87 | Descriptor: | 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | Authors: | Larson, E.T, Merritt, E.A. | Deposit date: | 2011-07-25 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
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3T3U
| Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-130 | Descriptor: | 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | Authors: | Larson, E.T, Merritt, E.A. | Deposit date: | 2011-07-25 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
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8T6B
| Human VMAT2 in complex with serotonin | Descriptor: | SEROTONIN, Synaptic vesicular amine transporter | Authors: | Pidathala, S, Dai, Y, Lee, C.H. | Deposit date: | 2023-06-15 | Release date: | 2023-11-01 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.72 Å) | Cite: | Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2. Nature, 623, 2023
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8T69
| Human VMAT2 in complex with tetrabenazine | Descriptor: | Synaptic vesicular amine transporter, tetrabenazine | Authors: | Pidathala, S, Dai, Y, Lee, C.H. | Deposit date: | 2023-06-15 | Release date: | 2023-11-01 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2. Nature, 623, 2023
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8T6A
| Human VMAT2 in complex with reserpine | Descriptor: | Synaptic vesicular amine transporter, reserpine | Authors: | Pidathala, S, Dai, Y, Lee, C.H. | Deposit date: | 2023-06-15 | Release date: | 2023-11-01 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2. Nature, 623, 2023
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6MN6
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6N7E
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