5TAZ
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![BU of 5taz by Molmil](/molmil-images/mine/5taz) | Structure of rabbit RyR1 (ryanodine dataset, class 3) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | Deposit date: | 2016-09-10 | Release date: | 2016-10-12 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural Basis for Gating and Activation of RyR1. Cell, 167, 2016
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5TCL
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![BU of 5tcl by Molmil](/molmil-images/mine/5tcl) | Thaumatin from 4.96 A wavelength data collection | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Aurelius, O, Duman, R, El Omari, K, Mykhaylyk, V, Wagner, A. | Deposit date: | 2016-09-15 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.201 Å) | Cite: | Long-wavelength macromolecular crystallography - First successful native SAD experiment close to the sulfur edge. Nucl Instrum Methods Phys Res B, 411, 2017
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8AIV
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![BU of 8aiv by Molmil](/molmil-images/mine/8aiv) | Mpro of SARS COV-2 in complex with the MG-100 inhibitor | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2022-07-27 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Main Protease SARS-COV-2 in complex with the inhibitor MG-100 To Be Published
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5T4Q
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![BU of 5t4q by Molmil](/molmil-images/mine/5t4q) | Autoinhibited E. coli ATP synthase state 3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Sobti, M, Smits, C, Wong, A.S.W, Ishmukhametov, R, Stock, D, Sandin, S, Stewart, A.G. | Deposit date: | 2016-08-29 | Release date: | 2017-01-04 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (8.53 Å) | Cite: | Cryo-EM structures of the autoinhibitedE. coliATP synthase in three rotational states. Elife, 5, 2016
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1I1W
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![BU of 1i1w by Molmil](/molmil-images/mine/1i1w) | 0.89A Ultra high resolution structure of a Thermostable Xylanase from Thermoascus Aurantiacus | Descriptor: | ACETONE, ENDO-1,4-BETA-XYLANASE, ETHANOL, ... | Authors: | Natesh, R, Ramakumar, S, Viswamitra, M.A. | Deposit date: | 2001-02-04 | Release date: | 2003-01-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | Thermostable xylanase from Thermoascus aurantiacus at ultrahigh resolution (0.89 A) at 100 K and atomic resolution (1.11 A) at 293 K refined anisotropically to small-molecule accuracy. Acta Crystallogr.,Sect.D, 59, 2003
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8AIU
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![BU of 8aiu by Molmil](/molmil-images/mine/8aiu) | Mpro of SARS COV-2 in complex with the MG-97 inhibitor | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2022-07-27 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Main Protease SARS-COV-2 in complex with the inhibitor MG-97 To Be Published
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5TAL
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![BU of 5tal by Molmil](/molmil-images/mine/5tal) | Structure of rabbit RyR1 (Caffeine/ATP/Ca2+ dataset, class 1&2) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | Deposit date: | 2016-09-10 | Release date: | 2016-10-12 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural Basis for Gating and Activation of RyR1. Cell, 167, 2016
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5TBA
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8AM5
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![BU of 8am5 by Molmil](/molmil-images/mine/8am5) | RCII/PSI complex, class 3 | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3'R)-3'-hydroxy-beta,beta-caroten-4-one, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Zhao, Z, Vercellino, I, Knoppova, J, Sobotka, R, Murray, J.W, Nixon, P.J, Sazanov, L.A, Komenda, J. | Deposit date: | 2022-08-02 | Release date: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The Ycf48 accessory factor occupies the site of the oxygen-evolving manganese cluster during photosystem II biogenesis. Nat Commun, 14, 2023
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5YUL
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![BU of 5yul by Molmil](/molmil-images/mine/5yul) | Native Structure of hSOD1 in P6322 space group | Descriptor: | Dihydrogen tetrasulfide, GLYCEROL, Superoxide dismutase [Cu-Zn], ... | Authors: | Manjula, R, Padmanabhan, B. | Deposit date: | 2017-11-22 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Assessment of ligand binding at a site relevant to SOD1 oxidation and aggregation FEBS Lett., 592, 2018
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8AII
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![BU of 8aii by Molmil](/molmil-images/mine/8aii) | High Resolution Crystal Structure of Enterococcus faecium Nicotinate Nucleotide Adenylyltransferase Complexed with Adenine | Descriptor: | ADENINE, MAGNESIUM ION, Probable nicotinate-nucleotide adenylyltransferase, ... | Authors: | Pandian, R, Jeje, O.A, Sayed, Y, Achilonu, I.A. | Deposit date: | 2022-07-26 | Release date: | 2023-08-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Obtaining high yield recombinant Enterococcus faecium nicotinate nucleotide adenylyltransferase for X-ray crystallography and biophysical studies. Int.J.Biol.Macromol., 250, 2023
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8ATN
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![BU of 8atn by Molmil](/molmil-images/mine/8atn) | Discovery of IRAK4 Inhibitor 38 | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | Deposit date: | 2022-08-23 | Release date: | 2023-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.171 Å) | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 . J.Med.Chem., 67, 2024
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8AJ0
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![BU of 8aj0 by Molmil](/molmil-images/mine/8aj0) | Mpro of SARS COV-2 in complex with the RK-90 inhibitor | Descriptor: | (2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(3-phenylpropanoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2022-07-27 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.519 Å) | Cite: | Main Protease SARS-COV-2 in complex with the inhibitor RK-90 To Be Published
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8AGY
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8AIZ
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![BU of 8aiz by Molmil](/molmil-images/mine/8aiz) | Mpro of SARS-CoV-2 in complex with the RK-68 inhibitor | Descriptor: | (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide, CHLORIDE ION, Replicase polyprotein 1ab | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2022-07-27 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.992 Å) | Cite: | Main Protease SARS-CoV-2 in complex with the inhibitor RK-68 To Be Published
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1ICY
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![BU of 1icy by Molmil](/molmil-images/mine/1icy) | [ALA31,PRO32]-PNPY BOUND TO DPC MICELLES | Descriptor: | NEUROPEPTIDE Y | Authors: | Bader, R, Rytz, G, Lerch, M, Beck-Sickinger, A.G, Zerbe, O. | Deposit date: | 2001-04-02 | Release date: | 2002-05-08 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Key motif to gain selectivity at the neuropeptide Y5-receptor: structure and dynamics of micelle-bound [Ala31, Pro32]-NPY. Biochemistry, 41, 2002
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5TBW
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![BU of 5tbw by Molmil](/molmil-images/mine/5tbw) | Crystal structure of chlorolissoclimide bound to the yeast 80S ribosome | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | Authors: | Konst, Z.A, Szklarski, A.R, Pellegrino, S, Michalak, S.E, Meyer, M, Zanette, C, Cencic, R, Nam, S, Horne, D.A, Pelletier, J, Mobley, D.L, Yusupova, G, Yusupov, M, Vanderwal, C.D. | Deposit date: | 2016-09-13 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis facilitates an understanding of the structural basis for translation inhibition by the lissoclimides. Nat Chem, 9, 2017
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5T6J
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![BU of 5t6j by Molmil](/molmil-images/mine/5t6j) | Structure of the MIND Complex Shows a Regulatory Focus of Yeast Kinetochore Assembly | Descriptor: | Kinetochore protein SPC24, Kinetochore protein SPC25, Kinetochore-associated protein DSN1 | Authors: | Valverde, R, Jenni, S, Dimitrova, Y, Khin, Y, Harrison, S.C. | Deposit date: | 2016-09-01 | Release date: | 2016-11-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Structure of the MIND Complex Defines a Regulatory Focus for Yeast Kinetochore Assembly. Cell, 167, 2016
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5TS0
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![BU of 5ts0 by Molmil](/molmil-images/mine/5ts0) | Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2208 | Descriptor: | (2S)-N-{(2S)-3-methoxy-1-[(naphthalen-1-ylmethyl)amino]-1-oxopropan-2-yl}-4-oxo-2-[(3-phenylpropanoyl)amino]-4-(1H-pyrrol-1-yl)butanamide (non-preferred name), Proteasome subunit alpha, Proteasome subunit beta | Authors: | Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H. | Deposit date: | 2016-10-27 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.84679747 Å) | Cite: | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome. Biochemistry, 56, 2017
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1I1X
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5TRS
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![BU of 5trs by Molmil](/molmil-images/mine/5trs) | Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2144 | Descriptor: | N-tert-butoxy-N~2~-(5-methyl-1,2-oxazole-3-carbonyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide, Proteasome subunit alpha, Proteasome subunit beta | Authors: | Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H. | Deposit date: | 2016-10-27 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.083567 Å) | Cite: | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome. Biochemistry, 56, 2017
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1I94
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![BU of 1i94 by Molmil](/molmil-images/mine/1i94) | CRYSTAL STRUCTURES OF THE SMALL RIBOSOMAL SUBUNIT WITH TETRACYCLINE, EDEINE AND IF3 | Descriptor: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Pioletti, M, Schluenzen, F, Harms, J, Zarivach, R, Gluehmann, M, Avila, H, Bartels, H, Jacobi, C, Hartsch, T, Yonath, A, Franceschi, F. | Deposit date: | 2001-03-18 | Release date: | 2001-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3. EMBO J., 20, 2001
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8AXG
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![BU of 8axg by Molmil](/molmil-images/mine/8axg) | Crystal structure of Fusobacterium nucleatum fusolisin protease | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Fusolisin, ... | Authors: | Isupov, M.N, Wiener, R, Rouvinski, A, Fahoum, J, Kumar, M, Read, R.J. | Deposit date: | 2022-08-31 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Crystal structure of Fusobacterium nucleatum fusolisin protease To Be Published
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8AZC
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8AZD
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![BU of 8azd by Molmil](/molmil-images/mine/8azd) | |