7CS7
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![BU of 7cs7 by Molmil](/molmil-images/mine/7cs7) | IiPLR1 with NADP+ and (+)secoisolariciresinol | Descriptor: | (2S,3S)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol-lariciresinol reductase | Authors: | Shao, K, Zhang, P. | Deposit date: | 2020-08-14 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.297653 Å) | Cite: | Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases. Nat Commun, 12, 2021
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8GTY
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![BU of 8gty by Molmil](/molmil-images/mine/8gty) | |
5KH4
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![BU of 5kh4 by Molmil](/molmil-images/mine/5kh4) | |
5KH2
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![BU of 5kh2 by Molmil](/molmil-images/mine/5kh2) | |
3SXF
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![BU of 3sxf by Molmil](/molmil-images/mine/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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7Z0P
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![BU of 7z0p by Molmil](/molmil-images/mine/7z0p) | SARS-COV2 Main Protease in complex with inhibitor MG-131 | Descriptor: | (1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, SODIUM ION | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2022-02-23 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27, 2022
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3T3V
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![BU of 3t3v by Molmil](/molmil-images/mine/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
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![BU of 3t3u by Molmil](/molmil-images/mine/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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3UQG
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![BU of 3uqg by Molmil](/molmil-images/mine/3uqg) | c-SRC kinase domain in complex with bumpless BKI analog UW1243 | Descriptor: | 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Merritt, E.A, Larson, E.T. | Deposit date: | 2011-11-20 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
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3UPZ
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![BU of 3upz by Molmil](/molmil-images/mine/3upz) | |
3UQF
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![BU of 3uqf by Molmil](/molmil-images/mine/3uqf) | c-SRC kinase domain in complex with BKI RM-1-89 | Descriptor: | 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Merritt, E.A, Larson, E.T. | Deposit date: | 2011-11-20 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
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7W27
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![BU of 7w27 by Molmil](/molmil-images/mine/7w27) | Crystal structure of BEND3-BEN4-DNA complex | Descriptor: | BEN domain-containing protein 3, DNA (5'-D(P*GP*GP*AP*CP*CP*CP*AP*CP*GP*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*GP*CP*TP*GP*CP*GP*TP*GP*GP*GP*TP*C)-3') | Authors: | Zheng, L, Ren, A. | Deposit date: | 2021-11-22 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Distinct structural bases for sequence-specific DNA binding by mammalian BEN domain proteins. Genes Dev., 36, 2022
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7W5S
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![BU of 7w5s by Molmil](/molmil-images/mine/7w5s) | A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE (II) ION, ... | Authors: | Dai, L.H, Zhang, X, Hu, Y.M, Huang, J.W, Chen, C.C, Guo, R.T. | Deposit date: | 2021-11-30 | Release date: | 2022-04-13 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates. Appl.Environ.Microbiol., 88, 2022
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7W5T
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![BU of 7w5t by Molmil](/molmil-images/mine/7w5t) | A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Dai, L.H, Zhang, X, Hu, Y.M, Huang, J.W, Chen, C.C, Guo, R.T. | Deposit date: | 2021-11-30 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates. Appl.Environ.Microbiol., 88, 2022
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7B17
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![BU of 7b17 by Molmil](/molmil-images/mine/7b17) | SARS-CoV-spike RBD bound to two neutralising nanobodies. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SARS-CoV-2 neutralizing biparatopic nanobody VE,nanobody E from Lama glama,SARS-CoV-2 neutralizing biparatopic nanobody VE,nanobody E from Lama glama, Spike protein S1 | Authors: | Hallberg, B.M, Das, H. | Deposit date: | 2020-11-23 | Release date: | 2021-02-10 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (4.01 Å) | Cite: | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape Science, 371, 2021
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7W5V
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![BU of 7w5v by Molmil](/molmil-images/mine/7w5v) | A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE (III) ION, ... | Authors: | Dai, L.H, Zhang, X, Hu, Y.M, Huang, J.W, Chen, C.C, Guo, R.T. | Deposit date: | 2021-11-30 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates. Appl.Environ.Microbiol., 88, 2022
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7EAK
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![BU of 7eak by Molmil](/molmil-images/mine/7eak) | Echovirus3 full particle in complex with 5G3 fab | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Feng, R. | Deposit date: | 2021-03-07 | Release date: | 2021-07-14 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody. Cell Discov, 7, 2021
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6V0R
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![BU of 6v0r by Molmil](/molmil-images/mine/6v0r) | BG505 SOSIP.664 Trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nogal, B, Cottrell, C.A, Ward, A.B. | Deposit date: | 2019-11-19 | Release date: | 2020-04-01 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.87 Å) | Cite: | Mapping Polyclonal Antibody Responses in Non-human Primates Vaccinated with HIV Env Trimer Subunit Vaccines. Cell Rep, 30, 2020
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7EAH
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![BU of 7eah by Molmil](/molmil-images/mine/7eah) | Echovirus3 empty expanded particle | Descriptor: | Capsid protein VP0, Capsid protein VP1, Capsid protein VP3 | Authors: | Feng, R. | Deposit date: | 2021-03-07 | Release date: | 2021-07-14 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody. Cell Discov, 7, 2021
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7EAI
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![BU of 7eai by Molmil](/molmil-images/mine/7eai) | Echovirus3 empty compacted particle | Descriptor: | Capsid protein VP0, Capsid protein VP1, Capsid protein VP3, ... | Authors: | Feng, R. | Deposit date: | 2021-03-07 | Release date: | 2021-07-14 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody. Cell Discov, 7, 2021
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7EAJ
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![BU of 7eaj by Molmil](/molmil-images/mine/7eaj) | |
3V51
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![BU of 3v51 by Molmil](/molmil-images/mine/3v51) | |
3V5P
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![BU of 3v5p by Molmil](/molmil-images/mine/3v5p) | |
3UPX
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![BU of 3upx by Molmil](/molmil-images/mine/3upx) | |
7BQY
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![BU of 7bqy by Molmil](/molmil-images/mine/7bqy) | THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | Deposit date: | 2020-03-26 | Release date: | 2020-04-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors. Nature, 582, 2020
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