7WJY
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![BU of 7wjy by Molmil](/molmil-images/mine/7wjy) | Omicron spike trimer with 6m6 antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6m6 heavy chain, 6m6 light chain, ... | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | Deposit date: | 2022-01-08 | Release date: | 2022-07-13 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | A broadly neutralizing antibody against SARS-CoV-2 Omicron variant infection exhibiting a novel trimer dimer conformation in spike protein binding. Cell Res., 32, 2022
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7WJZ
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![BU of 7wjz by Molmil](/molmil-images/mine/7wjz) | Omicron Spike bitrimer with 6m6 antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6m6 heavy chain, 6m6 light chain, ... | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | Deposit date: | 2022-01-08 | Release date: | 2022-07-13 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | A broadly neutralizing antibody against SARS-CoV-2 Omicron variant infection exhibiting a novel trimer dimer conformation in spike protein binding. Cell Res., 32, 2022
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5IN9
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![BU of 5in9 by Molmil](/molmil-images/mine/5in9) | Crystal structure of Grp94 bound to methyl 3-chloro-2-(2-(1-((5-chlorofuran-2-yl)methyl)-1H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, an inhibitor based on the BnIm and Radamide scaffolds. | Descriptor: | Endoplasmin, GLYCEROL, TRIETHYLENE GLYCOL, ... | Authors: | Lieberman, R.L, Huard, D.J.E, Kizziah, J.L. | Deposit date: | 2016-03-07 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Development of Glucose Regulated Protein 94-Selective Inhibitors Based on the BnIm and Radamide Scaffold. J.Med.Chem., 59, 2016
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5K8H
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![BU of 5k8h by Molmil](/molmil-images/mine/5k8h) | |
5B25
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![BU of 5b25 by Molmil](/molmil-images/mine/5b25) | Crystal structure of human PDE1B with inhibitor 3 | Descriptor: | (11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, GLYCEROL, ... | Authors: | Ida, K, Lane, W, Snell, G, Sogabe, S. | Deposit date: | 2016-01-07 | Release date: | 2016-02-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Potent and Selective Inhibitors of Phosphodiesterase 1 for the Treatment of Cognitive Impairment Associated with Neurodegenerative and Neuropsychiatric Diseases J.Med.Chem., 59, 2016
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6S4Q
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![BU of 6s4q by Molmil](/molmil-images/mine/6s4q) | scdSav(SASK) - Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes | Descriptor: | GLYCEROL, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III) | Authors: | Rebelein, J.G. | Deposit date: | 2019-06-28 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Breaking Symmetry: Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes. J.Am.Chem.Soc., 141, 2019
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7X2H
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![BU of 7x2h by Molmil](/molmil-images/mine/7x2h) | |
5WMT
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![BU of 5wmt by Molmil](/molmil-images/mine/5wmt) | |
5BKH
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7XD2
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7Y7P
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![BU of 7y7p by Molmil](/molmil-images/mine/7y7p) | QDE-1 in complex with RNA template, RNA primer and AMPNPP | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cui, R.X, Gan, J.H, Ma, J.B. | Deposit date: | 2022-06-22 | Release date: | 2022-09-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural insights into the dual activities of the two-barrel RNA polymerase QDE-1. Nucleic Acids Res., 50, 2022
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7Y7Q
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![BU of 7y7q by Molmil](/molmil-images/mine/7y7q) | QDE-1 in complex with RNA template, RNA primer and 3'-dGTP | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Cui, R.X, Gan, J.H, Ma, J.B. | Deposit date: | 2022-06-22 | Release date: | 2022-09-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural insights into the dual activities of the two-barrel RNA polymerase QDE-1. Nucleic Acids Res., 50, 2022
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7Y7R
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![BU of 7y7r by Molmil](/molmil-images/mine/7y7r) | QDE-1 in complex with DNA template, RNA primer and 3'-dGTP | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*AP*AP*CP*TP*AP*CP*CP*GP*TP*CP*GP*GP*A)-3'), ... | Authors: | Cui, R.X, Gan, J.H, Ma, J.B. | Deposit date: | 2022-06-22 | Release date: | 2022-09-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights into the dual activities of the two-barrel RNA polymerase QDE-1. Nucleic Acids Res., 50, 2022
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1BSF
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![BU of 1bsf by Molmil](/molmil-images/mine/1bsf) | |
1BKP
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4XHK
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![BU of 4xhk by Molmil](/molmil-images/mine/4xhk) | PIM1 kinase in complex with Compound 1s | Descriptor: | 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1 | Authors: | Marcotte, D.J, Silvian, L.F. | Deposit date: | 2015-01-05 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based design of low-nanomolar PIM kinase inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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3DY7
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![BU of 3dy7 by Molmil](/molmil-images/mine/3dy7) | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | Descriptor: | (5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Ohren, J.F, Pavlovsky, A, Zhang, E. | Deposit date: | 2008-07-25 | Release date: | 2009-06-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK? Bioorg.Med.Chem.Lett., 19, 2009
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3DV3
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![BU of 3dv3 by Molmil](/molmil-images/mine/3dv3) | MEK1 with PF-04622664 Bound | Descriptor: | 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Kazmirski, S.L, Kothe, M, Ding, Y.-H. | Deposit date: | 2008-07-18 | Release date: | 2009-07-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK? Bioorg.Med.Chem.Lett., 19, 2009
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4X7Q
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![BU of 4x7q by Molmil](/molmil-images/mine/4x7q) | PIM2 kinase in complex with Compound 1s | Descriptor: | 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-2 | Authors: | Marcotte, D.J, Silvian, L.F. | Deposit date: | 2014-12-09 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structure-based design of low-nanomolar PIM kinase inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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6EBA
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![BU of 6eba by Molmil](/molmil-images/mine/6eba) | Crystal Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster, in Inward-facing And Unoccupied Conformation | Descriptor: | Major facilitator family transporter | Authors: | Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y. | Deposit date: | 2018-08-06 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.812 Å) | Cite: | Crystal structure of a bacterial homolog to human lysosomal transporter, spinster Sci Bull (Beijing), 64, 2019
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6E8J
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![BU of 6e8j by Molmil](/molmil-images/mine/6e8j) | Crystal Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster, in Inward-facing And Occupied Conformation | Descriptor: | Major facilitator family transporter | Authors: | Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y. | Deposit date: | 2018-07-30 | Release date: | 2019-08-14 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (3.091 Å) | Cite: | Crystal structure of a bacterial homolog to human lysosomal transporter, spinster Sci Bull (Beijing), 64, 2019
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8K46
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![BU of 8k46 by Molmil](/molmil-images/mine/8k46) | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains | 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: | Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H. | Deposit date: | 2023-07-17 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains. MedComm (2020), 4, 2023
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8K45
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![BU of 8k45 by Molmil](/molmil-images/mine/8k45) | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nb4 nanobody, ... | Authors: | Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H. | Deposit date: | 2023-07-17 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains. MedComm (2020), 4, 2023
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8K47
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![BU of 8k47 by Molmil](/molmil-images/mine/8k47) | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains | 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: | Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H. | Deposit date: | 2023-07-17 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains. MedComm (2020), 4, 2023
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8KAE
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![BU of 8kae by Molmil](/molmil-images/mine/8kae) | 16d-bound human SPNS2 | Descriptor: | 3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine, NbFab chain L, NbFab-H chain, ... | Authors: | He, Y, Duan, Y. | Deposit date: | 2023-08-03 | Release date: | 2024-01-03 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Structural basis of Sphingosine-1-phosphate transport via human SPNS2. Cell Res., 34, 2024
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