8HC9
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![BU of 8hc9 by Molmil](/molmil-images/mine/8hc9) | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (3 RBD down) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB13-292 Fab, ... | Authors: | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | Deposit date: | 2022-11-01 | Release date: | 2023-01-25 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (6.03 Å) | Cite: | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants. Nat Commun, 14, 2023
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8HC2
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![BU of 8hc2 by Molmil](/molmil-images/mine/8hc2) | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 1 YB9-258 Fab (1 RBD up) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB9-258 Fab, ... | Authors: | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | Deposit date: | 2022-11-01 | Release date: | 2023-01-25 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (6.21 Å) | Cite: | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants. Nat Commun, 14, 2023
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6UUO
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![BU of 6uuo by Molmil](/molmil-images/mine/6uuo) | Crystal structure of BRAF kinase domain bound to the PROTAC P4B | Descriptor: | N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | Authors: | Maisonneuve, P, Posternak, G, Kurinov, I, Sicheri, F. | Deposit date: | 2019-10-30 | Release date: | 2020-06-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.288 Å) | Cite: | Functional characterization of a PROTAC directed against BRAF mutant V600E. Nat.Chem.Biol., 16, 2020
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5I5H
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![BU of 5i5h by Molmil](/molmil-images/mine/5i5h) | Ecoli global domain 245-586 | Descriptor: | Inner membrane protein YejM | Authors: | Dong, C, Dong, H. | Deposit date: | 2016-02-15 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria. Sci Rep, 6, 2016
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5I5D
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![BU of 5i5d by Molmil](/molmil-images/mine/5i5d) | Salmonella global domain 245 | Descriptor: | Inner membrane protein YejM | Authors: | Dong, C, Dong, H. | Deposit date: | 2016-02-15 | Release date: | 2017-04-19 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria. Sci Rep, 6, 2016
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5I5F
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![BU of 5i5f by Molmil](/molmil-images/mine/5i5f) | Salmonella global domain 191 | Descriptor: | Inner membrane protein YejM | Authors: | Dong, C, Dong, H. | Deposit date: | 2016-02-15 | Release date: | 2016-08-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria. Sci Rep, 6, 2016
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5IBK
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![BU of 5ibk by Molmil](/molmil-images/mine/5ibk) | Skp1-F-box in complex with a ubiquitin variant | Descriptor: | F-box/WD repeat-containing protein 7, Polyubiquitin-B, S-phase kinase-associated protein 1,S-phase kinase-associated protein 1 | Authors: | Orlicky, S, Sicheri, F. | Deposit date: | 2016-02-22 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Inhibition of SCF ubiquitin ligases by engineered ubiquitin variants that target the Cul1 binding site on the Skp1-F-box interface. Proc.Natl.Acad.Sci.USA, 113, 2016
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7M2K
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![BU of 7m2k by Molmil](/molmil-images/mine/7m2k) | CDC34A-Ubiquitin-2ab inhibitor complex | Descriptor: | 4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-N-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide, Ubiquitin, Ubiquitin-conjugating enzyme E2 R1 | Authors: | Ceccarelli, D.F, St-Cyr, D, Tyers, M, Sicheri, F. | Deposit date: | 2021-03-16 | Release date: | 2021-11-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Identification and optimization of molecular glue compounds that inhibit a noncovalent E2 enzyme-ubiquitin complex. Sci Adv, 7, 2021
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4GEK
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![BU of 4gek by Molmil](/molmil-images/mine/4gek) | Crystal Structure of wild-type CmoA from E.coli | Descriptor: | (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate, SULFATE ION, tRNA (cmo5U34)-methyltransferase | Authors: | Kim, J, Toro, R, Bonanno, J.B, Bhosle, R, Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-08-02 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-guided discovery of the metabolite carboxy-SAM that modulates tRNA function Nature, 498, 2013
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4FHZ
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![BU of 4fhz by Molmil](/molmil-images/mine/4fhz) | Crystal structure of a carboxyl esterase at 2.0 angstrom resolution | Descriptor: | DI(HYDROXYETHYL)ETHER, Phospholipase/Carboxylesterase, SODIUM ION | Authors: | Wu, L, Ma, J, Zhou, J, Yu, H. | Deposit date: | 2012-06-07 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution. Appl.Microbiol.Biotechnol., 97, 2013
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4HEX
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![BU of 4hex by Molmil](/molmil-images/mine/4hex) | |
4E53
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![BU of 4e53 by Molmil](/molmil-images/mine/4e53) | Calmodulin and Nm peptide complex | Descriptor: | Calmodulin, Linker, IQ motif of Neuromodulin | Authors: | Kumar, V, Sivaraman, J. | Deposit date: | 2012-03-13 | Release date: | 2013-03-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural basis for the interaction of unstructured neuron specific substrates neuromodulin and neurogranin with calmodulin Sci Rep, 3, 2013
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4E50
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![BU of 4e50 by Molmil](/molmil-images/mine/4e50) | Calmodulin and Ng peptide complex | Descriptor: | Calmodulin, Linker, IQ motif of Neurogranin | Authors: | Kumar, V, Sivaraman, J. | Deposit date: | 2012-03-13 | Release date: | 2013-03-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for the interaction of unstructured neuron specific substrates neuromodulin and neurogranin with calmodulin Sci Rep, 3, 2013
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4FTW
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![BU of 4ftw by Molmil](/molmil-images/mine/4ftw) | Crystal structure of a carboxyl esterase N110C/L145H at 2.3 angstrom resolution | Descriptor: | 3-CYCLOHEXYLPROPYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE, CHLORIDE ION, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ... | Authors: | Wu, L, Ma, J, Zhou, J, Yu, H. | Deposit date: | 2012-06-28 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution. Appl.Microbiol.Biotechnol., 97, 2013
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4NKG
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![BU of 4nkg by Molmil](/molmil-images/mine/4nkg) | Crystal structure of SspH1 LRR domain in complex PKN1 HR1b domain | Descriptor: | E3 ubiquitin-protein ligase sspH1, HEXANE-1,6-DIOL, Serine/threonine-protein kinase N1 | Authors: | Keszei, A.F.A, Xiaojing, T, Mccormick, C, Zeqiraj, E, Rohde, J.R, Tyers, M, Sicheri, F. | Deposit date: | 2013-11-12 | Release date: | 2013-12-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of an SspH1-PKN1 Complex Reveals the Basis for Host Substrate Recognition and Mechanism of Activation for a Bacterial E3 Ubiquitin Ligase. Mol.Cell.Biol., 34, 2014
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4NKH
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![BU of 4nkh by Molmil](/molmil-images/mine/4nkh) | Crystal structure of SspH1 LRR domain | Descriptor: | E3 ubiquitin-protein ligase sspH1 | Authors: | Keszei, A.F.A, Xiaojing, T, Mccormick, C, Zeqiraj, E, Rohde, J.R, Tyers, M, Sicheri, F. | Deposit date: | 2013-11-12 | Release date: | 2013-12-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of an SspH1-PKN1 Complex Reveals the Basis for Host Substrate Recognition and Mechanism of Activation for a Bacterial E3 Ubiquitin Ligase. Mol.Cell.Biol., 34, 2014
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4P6W
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![BU of 4p6w by Molmil](/molmil-images/mine/4p6w) | Crystal Structure of mometasone furoate-bound glucocorticoid receptor ligand binding domain | Descriptor: | Glucocorticoid receptor, MOMETASONE FUROATE, Nuclear receptor coactivator 2 | Authors: | He, Y, Zhou, X.E, Tolbert, W.D, Powell, K, Melcher, K, Xu, H.E. | Deposit date: | 2014-03-25 | Release date: | 2014-04-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | Structures and mechanism for the design of highly potent glucocorticoids. Cell Res., 24, 2014
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4P6X
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![BU of 4p6x by Molmil](/molmil-images/mine/4p6x) | Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, Glucocorticoid receptor, Nuclear receptor coactivator 2 | Authors: | He, Y, Zhou, X.E, Tolbert, W.D, Powell, K, Melcher, K, Xu, H.E. | Deposit date: | 2014-03-25 | Release date: | 2014-04-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures and mechanism for the design of highly potent glucocorticoids. Cell Res., 24, 2014
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4QLB
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![BU of 4qlb by Molmil](/molmil-images/mine/4qlb) | Structural Basis for the Recruitment of Glycogen Synthase by Glycogenin | Descriptor: | GLYCEROL, Probable glycogen [starch] synthase, Protein GYG-1, ... | Authors: | Zeqiraj, E, Judd, A, Sicheri, F. | Deposit date: | 2014-06-11 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the recruitment of glycogen synthase by glycogenin. Proc.Natl.Acad.Sci.USA, 111, 2014
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8GVJ
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![BU of 8gvj by Molmil](/molmil-images/mine/8gvj) | Crystal structure of cMET kinase domain bound by D6808 | Descriptor: | (1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione, Hepatocyte growth factor receptor | Authors: | Chen, Y.H, Qu, L.Z. | Deposit date: | 2022-09-15 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
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7DEK
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![BU of 7dek by Molmil](/molmil-images/mine/7dek) | Pseudomonas aeruginosa FK506-binding protein PaFkbA | Descriptor: | Peptidyl-prolyl cis-trans isomerase | Authors: | Ynag, J, Huang, Q, Bao, R. | Deposit date: | 2020-11-04 | Release date: | 2021-09-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural characterization of PaFkbA: A periplasmic chaperone from Pseudomonas aeruginosa . Comput Struct Biotechnol J, 19, 2021
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5ZMD
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![BU of 5zmd by Molmil](/molmil-images/mine/5zmd) | Crystal structure of FTO in complex with m6dA modified ssDNA | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase FTO, DNA (5'-D(P*TP*CP*TP*(6MA)P*TP*AP*TP*CP*G)-3'), MANGANESE (II) ION, ... | Authors: | Zhang, X, Wei, L.H, Luo, J, Xiao, Y, Liu, J, Zhang, W, Zhang, L, Jia, G.F. | Deposit date: | 2018-04-02 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural insights into FTO's catalytic mechanism for the demethylation of multiple RNA substrates. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5YVP
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![BU of 5yvp by Molmil](/molmil-images/mine/5yvp) | Crystal structure of an apo form cyclase Filc1 from Fischerella sp. TAU | Descriptor: | CALCIUM ION, TETRAETHYLENE GLYCOL, cyclase A | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2017-11-27 | Release date: | 2018-11-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.051 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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5YVK
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![BU of 5yvk by Molmil](/molmil-images/mine/5yvk) | Crystal structure of a cyclase Famc1 from Fischerella ambigua UTEX 1903 | Descriptor: | CALCIUM ION, amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium, cyclase | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2017-11-26 | Release date: | 2018-11-07 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.292 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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5Z53
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![BU of 5z53 by Molmil](/molmil-images/mine/5z53) | Crystal structure of a cyclase Filc from Fischerella sp. in complex with cyclo-L-Arg-D-Pro | Descriptor: | 12-epi-hapalindole U synthase, CALCIUM ION, SULFATE ION, ... | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-01-16 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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