5W7M
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![BU of 5w7m by Molmil](/molmil-images/mine/5w7m) | Crystal structure of RoqN | Descriptor: | Glandicoline B O-methyltransferase roqN, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H. | Deposit date: | 2017-06-20 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway. Org. Biomol. Chem., 16, 2018
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3BVQ
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![BU of 3bvq by Molmil](/molmil-images/mine/3bvq) | Crystal Structure of Apo NotI Restriction Endonuclease | Descriptor: | FE (III) ION, NotI restriction endonuclease, SULFATE ION | Authors: | Lambert, A.R, Sussman, D, Shen, B, Stoddard, B.L. | Deposit date: | 2008-01-07 | Release date: | 2008-01-22 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of the Rare-Cutting Restriction Endonuclease NotI Reveal a Unique Metal Binding Fold Involved in DNA Binding. Structure, 16, 2008
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3BQU
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![BU of 3bqu by Molmil](/molmil-images/mine/3bqu) | Crystal Structure of the 2F5 Fab'-3H6 Fab Complex | Descriptor: | 2F5 Fab' heavy chain, 2F5 Fab' light chain, 3H6 Fab heavy chain, ... | Authors: | Bryson, S, Julien, J.-P, Isenman, D.E, Kunert, R, Katinger, H, Pai, E.F. | Deposit date: | 2007-12-20 | Release date: | 2008-10-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the complex between the F(ab)' fragment of the cross-neutralizing anti-HIV-1 antibody 2F5 and the F(ab) fragment of its anti-idiotypic antibody 3H6. J.Mol.Biol., 382, 2008
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5JTF
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![BU of 5jtf by Molmil](/molmil-images/mine/5jtf) | Crystal structure of ArsN N-acetyltransferase from Pseudomonas putida KT2440 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative Phosphinothricin N-acetyltransferase | Authors: | Venkadesh, S, Dheeman, D.S, Kandavelu, P, Rosen, B.P. | Deposit date: | 2016-05-09 | Release date: | 2017-05-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.156 Å) | Cite: | Arsinothricin, an arsenic-containing non-proteinogenic amino acid analog of glutamate, is a broad-spectrum antibiotic. Commun Biol, 2, 2019
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5WPP
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![BU of 5wpp by Molmil](/molmil-images/mine/5wpp) | Crystal structure HpiC1 W73M/K132M | Descriptor: | 12-epi-hapalindole C/U synthase, CALCIUM ION, TETRAETHYLENE GLYCOL, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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5AF4
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![BU of 5af4 by Molmil](/molmil-images/mine/5af4) | Structure of Lys33-linked diUb | Descriptor: | GLYCEROL, SULFATE ION, UBIQUITIN | Authors: | Michel, M.A, Elliott, P.R, Swatek, K.N, Simicek, M, Pruneda, J.N, Wagstaff, J.L, Freund, S.M.V, Komander, D. | Deposit date: | 2015-01-19 | Release date: | 2015-03-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Assembly and Specific Recognition of K29- and K33-Linked Polyubiquitin. Mol.Cell, 58, 2015
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5CAW
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![BU of 5caw by Molmil](/molmil-images/mine/5caw) | |
5WPR
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![BU of 5wpr by Molmil](/molmil-images/mine/5wpr) | Crystal structure HpiC1 in C2 space group | Descriptor: | 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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5W46
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2HVA
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![BU of 2hva by Molmil](/molmil-images/mine/2hva) | Solution Structure of the haem-binding protein p22HBP | Descriptor: | Heme-binding protein 1 | Authors: | Gell, D.A, Mackay, J.P, Westman, B.J, Liew, C.K, Gorman, D. | Deposit date: | 2006-07-28 | Release date: | 2006-08-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | A Novel Haem-binding Interface in the 22 kDa Haem-binding Protein p22HBP. J.Mol.Biol., 362, 2006
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2LIW
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![BU of 2liw by Molmil](/molmil-images/mine/2liw) | NMR structure of HMG-ACPI domain from CurA module from Lyngbya majuscula | Descriptor: | 3-HYDROXY-3-METHYL-GLUTARIC ACID, 4'-PHOSPHOPANTETHEINE, CurA | Authors: | Busche, A.E, Gottstein, D, Hein, C, Ripin, N, Pader, I, Tufar, P, Eisman, E.B, Gu, L, Walsh, C.T, Loehr, F, Sherman, D.H, Guntert, P, Dotsch, V. | Deposit date: | 2011-09-01 | Release date: | 2011-12-21 | Last modified: | 2012-03-14 | Method: | SOLUTION NMR | Cite: | Characterization of Molecular Interactions between ACP and Halogenase Domains in the Curacin A Polyketide Synthase. Acs Chem.Biol., 7, 2012
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7P2F
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![BU of 7p2f by Molmil](/molmil-images/mine/7p2f) | |
7OWD
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![BU of 7owd by Molmil](/molmil-images/mine/7owd) | |
6OB3
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![BU of 6ob3 by Molmil](/molmil-images/mine/6ob3) | Crystal structure of G13D-KRAS (GMPPNP-bound) in complex with GAP-related domain (GRD) of neurofibromin (NF1) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GTPase KRas, ... | Authors: | Tran, T.H, Dharmaiah, S, Simanshu, D.K. | Deposit date: | 2019-03-19 | Release date: | 2019-10-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | KRAS G13D sensitivity to neurofibromin-mediated GTP hydrolysis. Proc.Natl.Acad.Sci.USA, 116, 2019
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7OWC
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8EQ5
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![BU of 8eq5 by Molmil](/molmil-images/mine/8eq5) | Crystal structure of the N-terminal kinase domain of RSK2 in complex with SPRED2 (131-160) | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, Ribosomal protein S6 kinase alpha-3, Sprouty-related, ... | Authors: | Bonsor, D.A, Lopez, J, McCormick, F, Simanshu, D.K. | Deposit date: | 2022-10-07 | Release date: | 2023-04-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The ribosomal S6 kinase 2 (RSK2)-SPRED2 complex regulates the phosphorylation of RSK substrates and MAPK signaling. J.Biol.Chem., 299, 2023
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3LPE
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![BU of 3lpe by Molmil](/molmil-images/mine/3lpe) | Crystal structure of Spt4/5NGN heterodimer complex from Methanococcus jannaschii | Descriptor: | DNA-directed RNA polymerase subunit E'', Putative transcription antitermination protein nusG, ZINC ION | Authors: | Hirtreiter, A, Damsma, G.E, Cheung, A.C.M, Klose, D, Grohmann, D, Vojnic, E, Martin, A.C.R, Cramer, P, Werner, F. | Deposit date: | 2010-02-05 | Release date: | 2010-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Spt4/5 stimulates transcription elongation through the RNA polymerase clamp coiled-coil motif. Nucleic Acids Res., 38, 2010
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2BVS
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![BU of 2bvs by Molmil](/molmil-images/mine/2bvs) | Human thrombin complexed with fragment-based small molecules occupying the S1 pocket | Descriptor: | ALPHA THROMBIN, HIRUDIN VARIANT-2, N-[2-(2-CARBAMOYLMETHOXY-ETHOXY)-ETHYL]-2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE | Authors: | Neumann, T, Junker, H.-D, Keil, O, Burkert, K, Ottleben, H, Gamer, J, Sekul, R, Deppe, H, Feurer, A, Tomandl, D, Metz, G. | Deposit date: | 2005-07-04 | Release date: | 2006-10-25 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of Thrombin Inhibitor Fragments from Chemical Microarray Screening Lett.Drug Des.Discovery, 2, 2005
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2BVR
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![BU of 2bvr by Molmil](/molmil-images/mine/2bvr) | Human thrombin complexed with fragment-based small molecules occupying the S1 pocket | Descriptor: | 2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE, ALPHA THROMBIN, HIRUDIN VARIANT-2 | Authors: | Neumann, T, Junker, H.-D, Keil, O, Burkert, K, Ottleben, H, Gamer, J, Sekul, R, Deppe, H, Feurer, A, Tomandl, D, Metz, G. | Deposit date: | 2005-07-04 | Release date: | 2006-10-25 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of Thrombin Inhibitor Fragments from Chemical Microarray Screening Lett.Drug Des.Discovery, 2, 2005
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6OB2
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![BU of 6ob2 by Molmil](/molmil-images/mine/6ob2) | Crystal structure of wild-type KRAS (GMPPNP-bound) in complex with GAP-related domain (GRD) of neurofibromin (NF1) | Descriptor: | CHLORIDE ION, GLYCEROL, GTPase KRas, ... | Authors: | Tran, T.H, Dharmaiah, S, Simanshu, D.K. | Deposit date: | 2019-03-19 | Release date: | 2019-10-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.845 Å) | Cite: | KRAS G13D sensitivity to neurofibromin-mediated GTP hydrolysis. Proc.Natl.Acad.Sci.USA, 116, 2019
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6XA3
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![BU of 6xa3 by Molmil](/molmil-images/mine/6xa3) | Structure of the ligand free P450 monooxygenase TamI | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, TamI | Authors: | Newmister, S.A, Srivastava, K.R, Espinoza, R.V, Haatveit, K.C, Khatri, Y, Martini, R.M, Garcia-Borras, M, Podust, L.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2020-06-03 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Molecular Basis of Iterative C─H Oxidation by TamI, a Multifunctional P450 monooxygenase from the Tirandamycin Biosynthetic Pathway. Acs Catalysis, 10, 2020
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5WPS
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![BU of 5wps by Molmil](/molmil-images/mine/5wps) | Crystal structure HpiC1 Y101F | Descriptor: | 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.389 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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7N64
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![BU of 7n64 by Molmil](/molmil-images/mine/7n64) | SARS-CoV-2 Spike (2P) in complex with G32R7 Fab (RBD and NTD local reconstruction) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, G32R7 Fab heavy chain, ... | Authors: | Windsor, I.W, Jenni, S, Tong, P, Gautam, A.K, Wesemann, D.R, Harrison, S.C. | Deposit date: | 2021-06-07 | Release date: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Memory B cell repertoire for recognition of evolving SARS-CoV-2 spike. Biorxiv, 2021
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7N62
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![BU of 7n62 by Molmil](/molmil-images/mine/7n62) | SARS-CoV-2 Spike (2P) in complex with C12C9 Fab (NTD local reconstruction) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C12C9 Fab heavy chain, C12C9 Fab light chain, ... | Authors: | Windsor, I.W, Jenni, S, Bajic, G, Tong, P, Gautam, A.K, Wesemann, D.R, Harrison, S.C. | Deposit date: | 2021-06-07 | Release date: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Memory B cell repertoire for recognition of evolving SARS-CoV-2 spike. Biorxiv, 2021
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5AF5
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![BU of 5af5 by Molmil](/molmil-images/mine/5af5) | Structure of Lys33-linked triUb S.G. P 212121 | Descriptor: | POLYUBIQUITIN-C | Authors: | Michel, M.A, Elliott, P.R, Swatek, K.N, Simicek, M, Pruneda, J.N, Wagstaff, J.L, Freund, S.M.V, Komander, D. | Deposit date: | 2015-01-19 | Release date: | 2015-03-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Assembly and Specific Recognition of K29- and K33-Linked Polyubiquitin. Mol.Cell, 58, 2015
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