8Q73
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8Q75
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8HEI
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![BU of 8hei by Molmil](/molmil-images/mine/8hei) | Crystal structure of CTSB in complex with E64d | Descriptor: | Cathepsin B, GLYCEROL, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate | Authors: | Wang, H, Li, D, Sun, L, Yang, H. | Deposit date: | 2022-11-08 | Release date: | 2023-12-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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8HET
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![BU of 8het by Molmil](/molmil-images/mine/8het) | Crystal structure of CTSL in complex with E64d | Descriptor: | Procathepsin L, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate | Authors: | Wang, H, Shao, M, Sun, L, Yang, H. | Deposit date: | 2022-11-08 | Release date: | 2023-12-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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8HD8
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![BU of 8hd8 by Molmil](/molmil-images/mine/8hd8) | Crystal structure of TMPRSS2 in complex with 212-148 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | Authors: | Wang, H, Liu, X, Sun, L, Yang, H. | Deposit date: | 2022-11-03 | Release date: | 2023-12-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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8HE9
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![BU of 8he9 by Molmil](/molmil-images/mine/8he9) | Crystal structure of CTSB in complex with K777 | Descriptor: | Cathepsin B, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Wang, H, Li, D, Sun, L, Yang, H. | Deposit date: | 2022-11-07 | Release date: | 2023-12-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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8HFV
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![BU of 8hfv by Molmil](/molmil-images/mine/8hfv) | Crystal structure of CTSL in complex with K777 | Descriptor: | CACODYLATE ION, Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide, Procathepsin L, ... | Authors: | Wang, H, Shao, M, Sun, L, Yang, H. | Deposit date: | 2022-11-12 | Release date: | 2023-12-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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8HEN
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![BU of 8hen by Molmil](/molmil-images/mine/8hen) | Crystal structure of CTSB in complex with 212-148 | Descriptor: | 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate, Cathepsin B, DIMETHYL SULFOXIDE, ... | Authors: | Wang, H, Li, D, Sun, L, Yang, H. | Deposit date: | 2022-11-08 | Release date: | 2023-12-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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6WJL
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![BU of 6wjl by Molmil](/molmil-images/mine/6wjl) | Crystal structure of Glypican-2 core protein in complex with D3 Fab | Descriptor: | D3 Fab Heavy chain, D3 Fab Light Chain, Glypican-2, ... | Authors: | Raman, S, Maris, J.M, Bosse, K.R, Julien, J.P. | Deposit date: | 2020-04-14 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A GPC2 antibody-drug conjugate is efficacious against neuroblastoma and small-cell lung cancer via binding a conformational epitope. Cell Rep Med, 2, 2021
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4H2M
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![BU of 4h2m by Molmil](/molmil-images/mine/4h2m) | Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1408 | Descriptor: | 2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine, Undecaprenyl pyrophosphate synthase | Authors: | Zhu, W, Oldfield, E. | Deposit date: | 2012-09-12 | Release date: | 2012-12-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Antibacterial drug leads targeting isoprenoid biosynthesis. Proc.Natl.Acad.Sci.USA, 110, 2013
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4H8E
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5TKK
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7CMZ
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![BU of 7cmz by Molmil](/molmil-images/mine/7cmz) | Crystal Structure of BRCT7/8 in Complex with the APS Motif of PHF8 | Descriptor: | DNA topoisomerase 2-binding protein 1, Histone lysine demethylase PHF8, POTASSIUM ION, ... | Authors: | Che, S.Y, Ma, S, Cao, C, Yao, Z, Shi, L, Yang, N. | Deposit date: | 2020-07-29 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.695 Å) | Cite: | PHF8-promoted TOPBP1 demethylation drives ATR activation and preserves genome stability. Sci Adv, 7, 2021
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4H38
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4H3C
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5EQY
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![BU of 5eqy by Molmil](/molmil-images/mine/5eqy) | Crystal structure of choline kinase alpha-1 bound by 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile (compound 65) | Descriptor: | 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile, Choline kinase alpha | Authors: | Zhou, T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2015-11-13 | Release date: | 2016-01-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery. J.Med.Chem., 59, 2016
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5IHC
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![BU of 5ihc by Molmil](/molmil-images/mine/5ihc) | MELK in complex with NVS-MELK12B | Descriptor: | 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase | Authors: | Sprague, E.R, Brazell, T. | Deposit date: | 2016-02-29 | Release date: | 2016-06-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
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5IHA
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![BU of 5iha by Molmil](/molmil-images/mine/5iha) | MELK in complex with NVS-MELK8F | Descriptor: | 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase | Authors: | Sprague, E.R, Brazell, T. | Deposit date: | 2016-02-29 | Release date: | 2016-06-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
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4N6J
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![BU of 4n6j by Molmil](/molmil-images/mine/4n6j) | Crystal structure of human Striatin-3 coiled coil domain | Descriptor: | Striatin-3 | Authors: | Chen, C, Shi, Z, Zhou, Z. | Deposit date: | 2013-10-13 | Release date: | 2014-02-26 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Striatins contain a noncanonical coiled coil that binds protein phosphatase 2A A subunit to form a 2:2 heterotetrameric core of striatin-interacting phosphatase and kinase (STRIPAK) complex. J.Biol.Chem., 289, 2014
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8ILQ
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![BU of 8ilq by Molmil](/molmil-images/mine/8ilq) | Structure of SFTSV Gn-Gc heterodimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein | Authors: | Du, S, Peng, R, Qi, J, Li, C. | Deposit date: | 2023-03-04 | Release date: | 2023-09-13 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Cryo-EM structure of severe fever with thrombocytopenia syndrome virus. Nat Commun, 14, 2023
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8I4T
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![BU of 8i4t by Molmil](/molmil-images/mine/8i4t) | Structure of the asymmetric unit of SFTSV virion | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein | Authors: | Du, S, Peng, R, Qi, J, Li, C. | Deposit date: | 2023-01-21 | Release date: | 2023-09-13 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (5.2 Å) | Cite: | Cryo-EM structure of severe fever with thrombocytopenia syndrome virus. Nat Commun, 14, 2023
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7E7E
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![BU of 7e7e by Molmil](/molmil-images/mine/7e7e) | The co-crystal structure of ACE2 with Fab | Descriptor: | Processed angiotensin-converting enzyme 2, ZINC ION, h11B11-Fab | Authors: | Xiao, J.Y, Zhang, Y. | Deposit date: | 2021-02-26 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | A broadly neutralizing humanized ACE2-targeting antibody against SARS-CoV-2 variants. Nat Commun, 12, 2021
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5EWS
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![BU of 5ews by Molmil](/molmil-images/mine/5ews) | Sugar binding protein - human galectin-2 | Descriptor: | Galectin-2, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Su, J.Y, Si, Y.L. | Deposit date: | 2015-11-21 | Release date: | 2016-09-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination. Acta Biochim. Biophys. Sin. (Shanghai), 48, 2016
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7E39
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![BU of 7e39 by Molmil](/molmil-images/mine/7e39) | SARS-CoV-2 spike in complex with the Ab4 neutralizing antibody (State 3) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Ab4, Light Chain of Ab4, ... | Authors: | Liu, C. | Deposit date: | 2021-02-08 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants. Cell Discov, 7, 2021
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7E3B
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