4HVG
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![BU of 4hvg by Molmil](/molmil-images/mine/4hvg) | |
4HVD
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![BU of 4hvd by Molmil](/molmil-images/mine/4hvd) | JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethyl-propyl)-amide | Descriptor: | 1-phenylurea, 2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3 | Authors: | Kuglstatter, A, Shao, A. | Deposit date: | 2012-11-06 | Release date: | 2013-01-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models. J.Med.Chem., 56, 2013
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7DWS
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![BU of 7dws by Molmil](/molmil-images/mine/7dws) | |
2DCW
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![BU of 2dcw by Molmil](/molmil-images/mine/2dcw) | |
6M5G
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![BU of 6m5g by Molmil](/molmil-images/mine/6m5g) | F-actin-Utrophin complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Kumari, A, Ragunath, V.K, Sirajuddin, M. | Deposit date: | 2020-03-10 | Release date: | 2020-05-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural insights into actin filament recognition by commonly used cellular actin markers. Embo J., 39, 2020
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6VI4
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![BU of 6vi4 by Molmil](/molmil-images/mine/6vi4) | Nanobody-Enabled Monitoring of Kappa Opioid Receptor States | Descriptor: | (3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, CHOLESTEROL, Kappa opioid receptor, ... | Authors: | Che, T, Roth, B.L. | Deposit date: | 2020-01-11 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Nanobody-enabled monitoring of kappa opioid receptor states. Nat Commun, 11, 2020
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8SOV
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![BU of 8sov by Molmil](/molmil-images/mine/8sov) | Proteinase K Multiconformer Model at 353K | Descriptor: | ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ... | Authors: | Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. | Deposit date: | 2023-04-30 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.291 Å) | Cite: | Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
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8SPL
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![BU of 8spl by Molmil](/molmil-images/mine/8spl) | Proteinase K Multiconformer Model at 343K | Descriptor: | ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ... | Authors: | Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. | Deposit date: | 2023-05-03 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
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8SOU
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![BU of 8sou by Molmil](/molmil-images/mine/8sou) | Proteinase K Multiconformer Model at 363K | Descriptor: | ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ... | Authors: | Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. | Deposit date: | 2023-04-30 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
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8SQV
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![BU of 8sqv by Molmil](/molmil-images/mine/8sqv) | Proteinase K Multiconformer Model at 333K | Descriptor: | CALCIUM ION, Proteinase K, SULFATE ION | Authors: | Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. | Deposit date: | 2023-05-04 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
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8SOG
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![BU of 8sog by Molmil](/molmil-images/mine/8sog) | Proteinase K Multiconformer Model at 313K | Descriptor: | CALCIUM ION, Proteinase K, SULFATE ION | Authors: | Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. | Deposit date: | 2023-04-28 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
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7JWY
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![BU of 7jwy by Molmil](/molmil-images/mine/7jwy) | Structure of SARS-CoV-2 spike at pH 4.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhou, T, Tsybovsky, Y, Kwong, P.D. | Deposit date: | 2020-08-26 | Release date: | 2020-11-25 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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6VZI
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6W7G
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![BU of 6w7g by Molmil](/molmil-images/mine/6w7g) | Structure of EED bound to inhibitor 1056 | Descriptor: | 8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, FORMIC ACID, Polycomb protein EED, ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development. J.Med.Chem., 63, 2020
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6W03
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5YY5
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![BU of 5yy5 by Molmil](/molmil-images/mine/5yy5) | Structural definition of a unique neutralization epitope on the receptor-binding domain of MERS-CoV spike glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, Light chain, ... | Authors: | Zhang, S, Wang, P, Zhou, P, Wang, X, Zhang, L. | Deposit date: | 2017-12-08 | Release date: | 2018-08-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Definition of a Unique Neutralization Epitope on the Receptor-Binding Domain of MERS-CoV Spike Glycoprotein Cell Rep, 24, 2018
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6W7F
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![BU of 6w7f by Molmil](/molmil-images/mine/6w7f) | Structure of EED bound to inhibitor 5285 | Descriptor: | 8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, GLYCEROL, Polycomb protein EED | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development. J.Med.Chem., 63, 2020
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7EAM
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![BU of 7eam by Molmil](/molmil-images/mine/7eam) | immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 7D6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ... | Authors: | Li, T.T, Gu, Y, Li, S.W. | Deposit date: | 2021-03-07 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants. Nat Commun, 12, 2021
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7EAN
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![BU of 7ean by Molmil](/molmil-images/mine/7ean) | immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 6D6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 cross-neutralizing mAb 6D6, Light chain of SARS-CoV-2 cross-neutralizing mAb 6D6, ... | Authors: | Li, T.T, Gu, Y, Li, S.W. | Deposit date: | 2021-03-07 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants. Nat Commun, 12, 2021
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5ZXV
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![BU of 5zxv by Molmil](/molmil-images/mine/5zxv) | |
7DXL
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8D56
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![BU of 8d56 by Molmil](/molmil-images/mine/8d56) | One RBD-up state of SARS-CoV-2 BA.2 variant spike protein | 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: | Zhang, J, Tang, W.C, Gao, H.L, Shi, W, Peng, H.Q, Volloch, S.R, Xiao, T.S, Chen, B. | Deposit date: | 2022-06-04 | Release date: | 2023-06-07 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural and functional characteristics of the SARS-CoV-2 Omicron subvariant BA.2 spike protein. Nat.Struct.Mol.Biol., 30, 2023
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8D55
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![BU of 8d55 by Molmil](/molmil-images/mine/8d55) | Closed state of SARS-CoV-2 BA.2 variant spike protein | 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: | Zhang, J, Tang, W.C, Gao, H.L, Shi, W, Peng, H.Q, Volloch, S.R, Xiao, T.S, Chen, B. | Deposit date: | 2022-06-04 | Release date: | 2023-06-07 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural and functional characteristics of the SARS-CoV-2 Omicron subvariant BA.2 spike protein. Nat.Struct.Mol.Biol., 30, 2023
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8D5A
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![BU of 8d5a by Molmil](/molmil-images/mine/8d5a) | Middle state of SARS-CoV-2 BA.2 variant spike protein | 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: | Zhang, J, Tang, W.C, Gao, H.L, Shi, W, Peng, H.Q, Volloch, S.R, Xiao, T.S, Chen, B. | Deposit date: | 2022-06-04 | Release date: | 2023-06-07 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural and functional characteristics of the SARS-CoV-2 Omicron subvariant BA.2 spike protein. Nat.Struct.Mol.Biol., 30, 2023
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8CWY
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![BU of 8cwy by Molmil](/molmil-images/mine/8cwy) | |