8D4N
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![BU of 8d4n by Molmil](/molmil-images/mine/8d4n) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166Q Mutant | Descriptor: | 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-02 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir. Biorxiv, 2022
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3BK0
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![BU of 3bk0 by Molmil](/molmil-images/mine/3bk0) | Crystal Structure of Human Orotidine 5'-monophosphate Decarboxylase Complexed with 5-CN-UMP | Descriptor: | 5-CYANO-URIDINE-5'-MONOPHOSPHATE, GLYCEROL, SULFATE ION, ... | Authors: | Liu, Y, Tang, H.L, Avina, M.E.M, Kotra, L.P, Pai, E.F. | Deposit date: | 2007-12-05 | Release date: | 2008-11-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of Human Orotidine 5'-monophosphate Decarboxylase Complexed with 5-CN-UMP To be Published
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8F2Q
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3BMY
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![BU of 3bmy by Molmil](/molmil-images/mine/3bmy) | Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90 | Descriptor: | 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol, Heat shock protein HSP 90-alpha | Authors: | Gopalsamy, A, Shi, M, Vogan, E.M, Golas, J, Jacob, J, Johnson, J, Lee, F, Nilakantan, R, Peterson, R, Svenson, K, Tam, M.S, Wen, Y, Chopra, R, Ellingboe, J, Arndt, K, Boschelli, F. | Deposit date: | 2007-12-13 | Release date: | 2008-07-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90. J.Med.Chem., 51, 2008
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6VPO
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![BU of 6vpo by Molmil](/molmil-images/mine/6vpo) | Cryo-EM structure of microtubule-bound KLP61F motor domain in the AMPPNP state | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein Klp61F, ... | Authors: | Bodrug, T, Wilson-Kubalek, E.M, Nithianantham, S, Debs, G, Sindelar, C.V, Milligan, R, Al-Bassam, J. | Deposit date: | 2020-02-04 | Release date: | 2020-02-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | The kinesin-5 tail domain directly modulates the mechanochemical cycle of the motor domain for anti-parallel microtubule sliding. Elife, 9, 2020
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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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8TID
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![BU of 8tid by Molmil](/molmil-images/mine/8tid) | Combined linker domain of N-DRC and associated proteins Tetrahymena | Descriptor: | AAA family ATPase CDC48 subfamily protein, CFAP20, Calmodulin 7-2, ... | Authors: | Ghanaeian, A.G, Majhi, S.M, McCaffrey, C.M, Nami, B.N, Black, C.B, Yang, S.K, Legal, T.L, Papoulas, O.P, Janowska, M.J, Valente-Paterno, M.V, Marcotte, E.M, Wloga, D.W, Bui, K.H. | Deposit date: | 2023-07-19 | Release date: | 2023-09-27 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Integrated modeling of the Nexin-dynein regulatory complex reveals its regulatory mechanism. Nat Commun, 14, 2023
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8EHL
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8EHJ
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8TQE
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![BU of 8tqe by Molmil](/molmil-images/mine/8tqe) | XptA2 wild type | Descriptor: | XptA2 | Authors: | Martin, C.L, Binshtein, E.M, Aller, S.G. | Deposit date: | 2023-08-07 | Release date: | 2023-09-27 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structures of the Insecticidal Toxin Complex Subunit XptA2 Highlight Roles for Flexible Domains. Int J Mol Sci, 24, 2023
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8RU5
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![BU of 8ru5 by Molmil](/molmil-images/mine/8ru5) | ATPase family AAA domain containing 2 with crystallization epitope mutations V1022R:Q1027E | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2 | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2024-01-30 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants To Be Published
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8RU1
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![BU of 8ru1 by Molmil](/molmil-images/mine/8ru1) | Chromatin remodeling regulator CECR2 with in crystallo disulfide bond | Descriptor: | Chromatin remodeling regulator CECR2, GLYCEROL, SODIUM ION | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2024-01-29 | Release date: | 2024-03-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants To Be Published
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2Z8Q
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6WR1
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![BU of 6wr1 by Molmil](/molmil-images/mine/6wr1) | Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone | Descriptor: | Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | Petrunak, E.M, Bart, A.G, Scott, E.E. | Deposit date: | 2020-04-29 | Release date: | 2021-05-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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6WR0
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![BU of 6wr0 by Molmil](/molmil-images/mine/6wr0) | Human steroidogenic cytochrome P450 17A1 with 3-keto-delta4-abiraterone analog | Descriptor: | (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Petrunak, E.M, Bart, A.G, Scott, E.E. | Deposit date: | 2020-04-29 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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8Q4L
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![BU of 8q4l by Molmil](/molmil-images/mine/8q4l) | GBP1 bound by 14-3-3sigma | Descriptor: | 14-3-3 protein sigma, Guanylate-binding protein 1 | Authors: | Pfleiderer, M.M, Liu, X, Fisch, D, Anastasakou, E, Frickel, E.M, Galej, W.P. | Deposit date: | 2023-08-07 | Release date: | 2023-10-11 | Last modified: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (5.12 Å) | Cite: | PIM1 controls GBP1 activity to limit self-damage and to guard against pathogen infection. Science, 382, 2023
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6WW0
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![BU of 6ww0 by Molmil](/molmil-images/mine/6ww0) | Human steroidogenic cytochrome P450 17A1 with 3-keto-5alpha-abiraterone analog | Descriptor: | (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Petrunak, E.M, Bart, A.G, Scott, E.E. | Deposit date: | 2020-05-07 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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3BPB
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![BU of 3bpb by Molmil](/molmil-images/mine/3bpb) | Crystal structure of the dimethylarginine dimethylaminohydrolase H162G adduct with S-methyl-L-thiocitrulline | Descriptor: | N~5~-[(E)-imino(methylsulfanyl)methyl]-L-ornithine, dimethylarginine dimethylaminohydrolase | Authors: | Monzingo, A.F, Linsky, T.W, Stone, E.M, Fast, W, Robertus, J.D. | Deposit date: | 2007-12-18 | Release date: | 2008-06-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Promiscuous partitioning of a covalent intermediate common in the pentein superfamily. Chem.Biol., 15, 2008
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6XOZ
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![BU of 6xoz by Molmil](/molmil-images/mine/6xoz) | |
8FUQ
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![BU of 8fuq by Molmil](/molmil-images/mine/8fuq) | |
3BRZ
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![BU of 3brz by Molmil](/molmil-images/mine/3brz) | |
3BS0
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![BU of 3bs0 by Molmil](/molmil-images/mine/3bs0) | |
8TUV
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![BU of 8tuv by Molmil](/molmil-images/mine/8tuv) | Merkel Cell Polyomavirus LTA NLSm bound to importin alpha 2 | Descriptor: | 30S ribosomal protein S11, Importin subunit alpha-1, SER-ARG-LYS-ARG-LYS-PHE | Authors: | Cross, E.M, Forwood, J.K, Alvisi, G. | Deposit date: | 2023-08-17 | Release date: | 2024-02-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals. Protein Sci., 33, 2024
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8TUU
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8TUT
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![BU of 8tut by Molmil](/molmil-images/mine/8tut) | Merkel Cell Polyomavirus LTA NLSct bound to importin alpha 2 | Descriptor: | Importin subunit alpha-1, PRO-PRO-LYS-PRO-LYS-LYS-ASN-ARG-GLU | Authors: | Cross, E.M, Forwood, J.K, Alvisi, G. | Deposit date: | 2023-08-17 | Release date: | 2024-02-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals. Protein Sci., 33, 2024
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