5U5T
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![BU of 5u5t by Molmil](/molmil-images/mine/5u5t) | Crystal structure of EED in complex with H3K27Me3 peptide and 3-(benzo[d][1,3]dioxol-4-ylmethyl)piperidine-1-carboximidamide | Descriptor: | (3R)-3-[(2H-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ... | Authors: | Bussiere, D, Shu, W. | Deposit date: | 2016-12-07 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase. J. Med. Chem., 60, 2017
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7PXZ
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![BU of 7pxz by Molmil](/molmil-images/mine/7pxz) | Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J. | Deposit date: | 2021-10-08 | Release date: | 2023-01-18 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds. Nat Commun, 15, 2024
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7PZQ
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![BU of 7pzq by Molmil](/molmil-images/mine/7pzq) | Oxidized form of SARS-CoV-2 Main Protease determined by XFEL radiation | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J. | Deposit date: | 2021-10-13 | Release date: | 2023-01-25 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds. Nat Commun, 15, 2024
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3A7J
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![BU of 3a7j by Molmil](/molmil-images/mine/3a7j) | Human MST3 kinase in complex with MnADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, Serine/threonine kinase 24 (STE20 homolog, ... | Authors: | Ko, T.P, Jeng, W.Y, Liu, C.I, Lai, M.D, Wang, A.H.J. | Deposit date: | 2009-09-27 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structures of human MST3 kinase in complex with adenine, ADP and Mn2+. Acta Crystallogr.,Sect.D, 66, 2010
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3F3S
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![BU of 3f3s by Molmil](/molmil-images/mine/3f3s) | The Crystal Structure of Human Lambda-Crystallin, CRYL1 | Descriptor: | CHLORIDE ION, GLYCEROL, Lambda-crystallin homolog, ... | Authors: | Ugochukwu, E, Johansson, C, Yue, W.W, Kochan, G, Pilka, E, Kramm, A, Pike, A.C.W, Filippakopoulos, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2008-10-31 | Release date: | 2008-11-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Crystal Structure of Human Lambda-Crystallin, CRYL1 To be Published
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7NFL
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![BU of 7nfl by Molmil](/molmil-images/mine/7nfl) | |
7NFF
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![BU of 7nff by Molmil](/molmil-images/mine/7nff) | An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24A. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CC-Type2-(LaId)4-I24A, GLYCEROL | Authors: | Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-02-07 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
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1FSP
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![BU of 1fsp by Molmil](/molmil-images/mine/1fsp) | NMR SOLUTION STRUCTURE OF BACILLUS SUBTILIS SPO0F PROTEIN, 20 STRUCTURES | Descriptor: | STAGE 0 SPORULATION PROTEIN F | Authors: | Feher, V.A, Skelton, N.J, Dahlquist, F.W, Cavanagh, J. | Deposit date: | 1997-06-05 | Release date: | 1997-12-10 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | High-resolution NMR structure and backbone dynamics of the Bacillus subtilis response regulator, Spo0F: implications for phosphorylation and molecular recognition. Biochemistry, 36, 1997
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7NFO
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![BU of 7nfo by Molmil](/molmil-images/mine/7nfo) | |
5IVG
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![BU of 5ivg by Molmil](/molmil-images/mine/5ivg) | |
7NFP
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![BU of 7nfp by Molmil](/molmil-images/mine/7nfp) | A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I17K | Descriptor: | CC-Type2-(LaId)4-I17K, GLYCEROL | Authors: | Burton, A.J, Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-02-07 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
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2IG7
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![BU of 2ig7 by Molmil](/molmil-images/mine/2ig7) | Crystal structure of Human Choline Kinase B | Descriptor: | Choline/ethanolamine kinase, UNKNOWN ATOM OR ION | Authors: | Rabeh, W.M, Tempel, W, Nedyalkova, L, Wasney, G, Landry, R, Vedadi, M, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2006-09-22 | Release date: | 2006-10-10 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Human Choline Kinase B To be Published
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7NFK
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![BU of 7nfk by Molmil](/molmil-images/mine/7nfk) | An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24S. | Descriptor: | CC-Type2-(LaId)4-I24S, ISOPROPYL ALCOHOL | Authors: | Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-02-07 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
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6PHZ
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![BU of 6phz by Molmil](/molmil-images/mine/6phz) | Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptan-2-one | Descriptor: | 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol, Acetylpolyamine Amidohydrolase, MAGNESIUM ION, ... | Authors: | Osko, J.D, Christianson, D.W. | Deposit date: | 2019-06-25 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani. Biochemistry, 58, 2019
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7NFG
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![BU of 7nfg by Molmil](/molmil-images/mine/7nfg) | A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L14A. | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CC-Type2-(LaId)4-L14A | Authors: | Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-02-07 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
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7NFH
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![BU of 7nfh by Molmil](/molmil-images/mine/7nfh) | A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(MaId)4. | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CC-Type2-(MaId)4 | Authors: | Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-02-07 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
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7N36
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7N39
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![BU of 7n39 by Molmil](/molmil-images/mine/7n39) | |
7N3A
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![BU of 7n3a by Molmil](/molmil-images/mine/7n3a) | |
7N3B
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![BU of 7n3b by Molmil](/molmil-images/mine/7n3b) | |
6P48
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![BU of 6p48 by Molmil](/molmil-images/mine/6p48) | Cryo-EM structure of calcium-bound TMEM16F in nanodisc with supplement of PIP2 in Cl1 | Descriptor: | Anoctamin-6, CALCIUM ION | Authors: | Feng, S, Dang, S, Han, T.W, Ye, W, Jin, P, Cheng, T, Li, J, Jan, Y.N, Jan, L.Y, Cheng, Y. | Deposit date: | 2019-05-26 | Release date: | 2019-07-24 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM Studies of TMEM16F Calcium-Activated Ion Channel Suggest Features Important for Lipid Scrambling. Cell Rep, 28, 2019
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5U16
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![BU of 5u16 by Molmil](/molmil-images/mine/5u16) | Structure of human MR1-2-OH-1-NA in complex with human MAIT A-F7 TCR | Descriptor: | 2-hydroxynaphthalene-1-carbaldehyde, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Keller, A.N, Birkinshaw, R.W, Rossjohn, J. | Deposit date: | 2016-11-27 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells. Nat. Immunol., 18, 2017
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7SXT
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![BU of 7sxt by Molmil](/molmil-images/mine/7sxt) | Cryo-EM structure of the SARS-CoV-2 D614G,N501Y mutant spike protein ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | Deposit date: | 2021-11-24 | Release date: | 2021-12-29 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (2.31 Å) | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding. Cell Rep, 37, 2021
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7SY7
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![BU of 7sy7 by Molmil](/molmil-images/mine/7sy7) | Cryo-EM structure of the SARS-CoV-2 D614G,N501Y,E484K,K417T mutant spike protein ectodomain bound to human ACE2 ectodomain (global refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | Deposit date: | 2021-11-24 | Release date: | 2021-12-29 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding. Cell Rep, 37, 2021
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7SXS
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![BU of 7sxs by Molmil](/molmil-images/mine/7sxs) | Cryo-EM structure of the SARS-CoV-2 D614G,L452R mutant spike protein ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | Deposit date: | 2021-11-24 | Release date: | 2021-12-29 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (2.64 Å) | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding. Cell Rep, 37, 2021
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