4R83
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![BU of 4r83 by Molmil](/molmil-images/mine/4r83) | Crystal structure of Sialyltransferase from Photobacterium damsela | Descriptor: | CALCIUM ION, Sialyltransferase 0160 | Authors: | Fisher, A.J, Chen, X, Li, Y, Huynh, N. | Deposit date: | 2014-08-29 | Release date: | 2014-12-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structures of sialyltransferase from Photobacterium damselae. Febs Lett., 588, 2014
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8I5I
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![BU of 8i5i by Molmil](/molmil-images/mine/8i5i) | |
8I5H
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8UWL
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![BU of 8uwl by Molmil](/molmil-images/mine/8uwl) | 5-HT2AR bound to Lisuride in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM) | Descriptor: | 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G. | Deposit date: | 2023-11-06 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | AlphaFold2 structures guide prospective ligand discovery. Science, 384, 2024
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8V6U
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![BU of 8v6u by Molmil](/molmil-images/mine/8v6u) | 5HT2AR-miniGq heterotrimer in complex with a novel agonist obtained from large scale docking | Descriptor: | 4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol, 5-hydroxytryptamine receptor 2A, G protein alpha-subunit q (Gi2-mini-Gq chimera), ... | Authors: | Gumpper, R.H, Wang, L, Kapolka, N, Skiniotis, G, Roth, B.L. | Deposit date: | 2023-12-03 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | AlphaFold2 structures guide prospective ligand discovery. Science, 384, 2024
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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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6LR3
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![BU of 6lr3 by Molmil](/molmil-images/mine/6lr3) | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum | Descriptor: | Macrophage migration inhibitory factor, SULFATE ION | Authors: | Su, Z.M, Tian, X.Y, Li, H.J, Wei, Z.M, Chen, L.F, Ren, H.X, Peng, W.F, Tang, C.T. | Deposit date: | 2020-01-15 | Release date: | 2020-07-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum. Biochem.J., 477, 2020
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6LKV
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![BU of 6lkv by Molmil](/molmil-images/mine/6lkv) | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum | Descriptor: | CHLORIDE ION, Macrophage migration inhibitory factor, SULFATE ION | Authors: | Su, Z.M, Tian, X.Y, Li, H.J, Wei, Z.M, Chen, L.F, Ren, H.X, Peng, W.F, Tang, C.T. | Deposit date: | 2019-12-20 | Release date: | 2020-07-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum. Biochem.J., 477, 2020
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6LKW
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![BU of 6lkw by Molmil](/molmil-images/mine/6lkw) | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum | Descriptor: | CHLORIDE ION, Macrophage migration inhibitory factor | Authors: | Su, Z.M, Tian, X.Y, Li, H.J, Wei, Z.M, Chen, L.F, Ren, H.X, Peng, W.F, Tang, C.T. | Deposit date: | 2019-12-20 | Release date: | 2020-07-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum. Biochem.J., 477, 2020
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1AKP
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![BU of 1akp by Molmil](/molmil-images/mine/1akp) | SEQUENTIAL 1H,13C AND 15N NMR ASSIGNMENTS AND SOLUTION CONFORMATION OF APOKEDARCIDIN | Descriptor: | APOKEDARCIDIN | Authors: | Constantine, K.L, Colson, K.L, Wittekind, M, Friedrichs, M.S, Zein, N, Tuttle, J, Langley, D.R, Leet, J.E, Schroeder, D.R, Lam, K.S, Farmer II, B.T, Metzler, W.J, Bruccoleri, R.E, Mueller, L. | Deposit date: | 1994-06-20 | Release date: | 1994-08-31 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Sequential 1H, 13C, and 15N NMR assignments and solution conformation of apokedarcidin. Biochemistry, 33, 1994
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1COU
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8HEF
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![BU of 8hef by Molmil](/molmil-images/mine/8hef) | The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL | Authors: | Yan, M, Zhang, H. | Deposit date: | 2022-11-08 | Release date: | 2023-04-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2. Antiviral Res., 213, 2023
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5CRL
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![BU of 5crl by Molmil](/molmil-images/mine/5crl) | |
4GRB
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![BU of 4grb by Molmil](/molmil-images/mine/4grb) | Casein kinase 2 (CK2) bound to inhibitor | Descriptor: | 5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid, CHLORIDE ION, Casein kinase II subunit alpha | Authors: | Larsen, N.A, Dowling, J.E, Ferguson, A.D. | Deposit date: | 2012-08-24 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure and Property Based Design of Pyrazolo[1,5-a]pyrimidine Inhibitors of CK2 Kinase with Activity in Vivo. ACS Med Chem Lett, 4, 2013
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6AZR
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![BU of 6azr by Molmil](/molmil-images/mine/6azr) | Crystal structure of the T264A HK853cp-BeF3-RR468 complex | Descriptor: | Chemotaxis regulator-transmits chemoreceptor signals to flagelllar motor components CheY, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Rose, J, Zhou, P. | Deposit date: | 2017-09-11 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.628 Å) | Cite: | A pH-gated conformational switch regulates the phosphatase activity of bifunctional HisKA-family histidine kinases. Nat Commun, 8, 2017
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7E34
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![BU of 7e34 by Molmil](/molmil-images/mine/7e34) | Crystal structure of SUN1-Speedy A-CDK2 | Descriptor: | Cyclin-dependent kinase 2, GLYCEROL, SUN domain-containing protein 1, ... | Authors: | Chen, Y, Huang, C, Wu, J, Lei, M. | Deposit date: | 2021-02-08 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | The SUN1-SPDYA interaction plays an essential role in meiosis prophase I. Nat Commun, 12, 2021
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7WN2
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7WNB
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2M8T
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6JWE
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![BU of 6jwe by Molmil](/molmil-images/mine/6jwe) | structure of RET G-quadruplex in complex with colchicine | Descriptor: | DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3'), N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide | Authors: | Wang, F, Wang, C, Liu, Y, Lan, W.X, Li, Y.M, Wang, R.X, Cao, C. | Deposit date: | 2019-04-20 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Colchicine selective interaction with oncogene RET G-quadruplex revealed by NMR. Chem.Commun.(Camb.), 56, 2020
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6JWD
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![BU of 6jwd by Molmil](/molmil-images/mine/6jwd) | structure of RET G-quadruplex in complex with berberine | Descriptor: | BERBERINE, DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3') | Authors: | Wang, F, Wang, C, Liu, Y, Lan, W.X, Li, Y.M, Wang, R.X, Cao, C. | Deposit date: | 2019-04-19 | Release date: | 2020-04-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Colchicine selective interaction with oncogene RET G-quadruplex revealed by NMR. Chem.Commun.(Camb.), 56, 2020
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6IYO
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6J1Z
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![BU of 6j1z by Molmil](/molmil-images/mine/6j1z) | WWP2 semi-open conformation | Descriptor: | NEDD4-like E3 ubiquitin-protein ligase WWP2 | Authors: | Liu, Z.H. | Deposit date: | 2018-12-30 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases. Nat Commun, 10, 2019
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6IYT
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6J1X
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![BU of 6j1x by Molmil](/molmil-images/mine/6j1x) | WWP1 close conformation | Descriptor: | GLYCEROL, NEDD4-like E3 ubiquitin-protein ligase WWP1 | Authors: | Liu, Z.H. | Deposit date: | 2018-12-30 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases. Nat Commun, 10, 2019
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