8ABW
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![BU of 8abw by Molmil](/molmil-images/mine/8abw) | Crystal structure of SpLdpA in complex with threo-DGPD | Descriptor: | (1R,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, (1S,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, SULFATE ION, ... | Authors: | Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2022-07-04 | Release date: | 2023-02-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation. Proc.Natl.Acad.Sci.USA, 120, 2023
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9C9M
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![BU of 9c9m by Molmil](/molmil-images/mine/9c9m) | HIV-1 intasome core bound with DTG | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, Integrase, MAGNESIUM ION, ... | Authors: | Li, M, Craigie, R. | Deposit date: | 2024-06-14 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (2.01 Å) | Cite: | HIV-1 Intasomes Assembled with Excess Integrase C-Terminal Domain Protein Facilitate Structural Studies by Cryo-EM and Reveal the Role of the Integrase C-Terminal Tail in HIV-1 Integration. Viruses, 16, 2024
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2P6B
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![BU of 2p6b by Molmil](/molmil-images/mine/2p6b) | Crystal Structure of Human Calcineurin in Complex with PVIVIT Peptide | Descriptor: | CALCIUM ION, Calcineurin subunit B isoform 1, Calmodulin-dependent calcineurin A subunit alpha isoform, ... | Authors: | Li, H, Zhang, L, Rao, A, Harrison, S.C, Hogan, P.G. | Deposit date: | 2007-03-16 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of calcineurin in complex with PVIVIT peptide: Portrait of a low-affinity signalling interaction J.Mol.Biol., 369, 2007
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7N41
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![BU of 7n41 by Molmil](/molmil-images/mine/7n41) | Crystal structure of TagA with UDP-ManNAc | Descriptor: | (2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), N-acetylglucosaminyldiphosphoundecaprenol N-acetyl-beta-D-mannosaminyltransferase | Authors: | Martinez, O.E, Cascio, D, Clubb, R.T. | Deposit date: | 2021-06-03 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Insight into the molecular basis of substrate recognition by the wall teichoic acid glycosyltransferase TagA. J.Biol.Chem., 298, 2021
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7N91
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![BU of 7n91 by Molmil](/molmil-images/mine/7n91) | P70 S6K1 IN COMPLEX WITH MSC2317067A-1 | Descriptor: | 4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1 | Authors: | Mochalkin, I. | Deposit date: | 2021-06-16 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers. J.Med.Chem., 64, 2021
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7N93
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![BU of 7n93 by Molmil](/molmil-images/mine/7n93) | P70 S6K1 IN COMPLEX WITH MSC2363318A-1 | Descriptor: | 4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1 | Authors: | Mochalkin, I. | Deposit date: | 2021-06-16 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers. J.Med.Chem., 64, 2021
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8T5C
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![BU of 8t5c by Molmil](/molmil-images/mine/8t5c) | Lassa GPC Trimer in complex with Fab 8.11G and nanobody D5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8.11G Heavy Chain, 8.11G Light Chain, ... | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2023-06-13 | Release date: | 2024-01-03 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Cleavage-intermediate Lassa virus trimer elicits neutralizing responses, identifies neutralizing nanobodies, and reveals an apex-situated site-of-vulnerability. Nat Commun, 15, 2024
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2ATH
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![BU of 2ath by Molmil](/molmil-images/mine/2ath) | Crystal structure of the ligand binding domain of human PPAR-gamma im complex with an agonist | Descriptor: | 2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID, Peroxisome proliferator activated receptor gamma | Authors: | Mahindroo, N, Huang, C.-F, Wu, S.-Y, Hsieh, H.-P. | Deposit date: | 2005-08-25 | Release date: | 2006-08-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Novel indole-based peroxisome proliferator-activated receptor agonists: design, SAR, structural biology, and biological activities J.Med.Chem., 48, 2005
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6ER4
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![BU of 6er4 by Molmil](/molmil-images/mine/6er4) | Ruminococcus gnavus IT-sialidase CBM40 bound to alpha2,6 sialyllactose | Descriptor: | BNR/Asp-box repeat protein, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | Deposit date: | 2017-10-16 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Unravelling the specificity and mechanism of sialic acid recognition by the gut symbiont Ruminococcus gnavus. Nat Commun, 8, 2017
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6EF9
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![BU of 6ef9 by Molmil](/molmil-images/mine/6ef9) | GspB Siglec domain | Descriptor: | FORMIC ACID, Platelet binding protein GspB - Siglec domain, SODIUM ION | Authors: | Iverson, T.M. | Deposit date: | 2018-08-16 | Release date: | 2020-02-19 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation. Nat Commun, 13, 2022
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6EFD
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![BU of 6efd by Molmil](/molmil-images/mine/6efd) | Hsa Siglec and Unique domains in complex with the sialyl T antigen trisaccharide | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose, SODIUM ION, Streptococcal hemagglutinin | Authors: | Iverson, T.M. | Deposit date: | 2018-08-16 | Release date: | 2020-02-19 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation. Nat Commun, 13, 2022
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6ER2
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![BU of 6er2 by Molmil](/molmil-images/mine/6er2) | |
6EFF
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![BU of 6eff by Molmil](/molmil-images/mine/6eff) | NCTC10712 | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | Authors: | Iverson, T.M. | Deposit date: | 2018-08-16 | Release date: | 2020-02-19 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation. Nat Commun, 13, 2022
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6FC5
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![BU of 6fc5 by Molmil](/molmil-images/mine/6fc5) | Bik1 CAP-Gly domain | Descriptor: | Microtubule-associated protein | Authors: | Kumar, A, Stangier, M.M, Steinmetz, M.O. | Deposit date: | 2017-12-20 | Release date: | 2018-04-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structure-Function Relationship of the Bik1-Bim1 Complex. Structure, 26, 2018
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6FC6
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![BU of 6fc6 by Molmil](/molmil-images/mine/6fc6) | |
7DEO
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![BU of 7deo by Molmil](/molmil-images/mine/7deo) | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ... | Authors: | Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y. | Deposit date: | 2020-11-04 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
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7DET
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![BU of 7det by Molmil](/molmil-images/mine/7det) | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | Authors: | Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y. | Deposit date: | 2020-11-05 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
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7DEU
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![BU of 7deu by Molmil](/molmil-images/mine/7deu) | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | Authors: | Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y. | Deposit date: | 2020-11-05 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
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4TTH
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![BU of 4tth by Molmil](/molmil-images/mine/4tth) | Crystal structure of a CDK6/Vcyclin complex with inhibitor bound | Descriptor: | 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6 | Authors: | Piper, D.E, Walker, N, Wang, Z. | Deposit date: | 2014-06-20 | Release date: | 2014-08-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3. J.Med.Chem., 57, 2014
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5JKG
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![BU of 5jkg by Molmil](/molmil-images/mine/5jkg) | The crystal structure of FGFR4 kinase domain in complex with LY2874455 | Descriptor: | 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4 | Authors: | Wu, D, Chen, L, Chen, Y. | Deposit date: | 2016-04-26 | Release date: | 2016-10-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.352 Å) | Cite: | Crystal Structure of the FGFR4/LY2874455 Complex Reveals Insights into the Pan-FGFR Selectivity of LY2874455 Plos One, 11, 2016
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8AHG
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![BU of 8ahg by Molmil](/molmil-images/mine/8ahg) | |
8AHH
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![BU of 8ahh by Molmil](/molmil-images/mine/8ahh) | |
8AHE
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![BU of 8ahe by Molmil](/molmil-images/mine/8ahe) | PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery | Descriptor: | SULFATE ION, UDP-N-acetylglucosamine 2-epimerase, ~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide | Authors: | Baker, L.M, Murray, J.B, Hubbard, R.E. | Deposit date: | 2022-07-21 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.108 Å) | Cite: | PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
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8AHF
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![BU of 8ahf by Molmil](/molmil-images/mine/8ahf) | PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery | Descriptor: | (2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide, SULFATE ION, UDP-N-acetylglucosamine 2-epimerase | Authors: | Baker, L.M, Murray, J.B, Hubbard, R.E. | Deposit date: | 2022-07-21 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.271 Å) | Cite: | PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
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8AHI
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![BU of 8ahi by Molmil](/molmil-images/mine/8ahi) | |