2CW1
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![BU of 2cw1 by Molmil](/molmil-images/mine/2cw1) | Solution structure of the de novo-designed lambda Cro fold protein | Descriptor: | SN4m | Authors: | Isogai, Y, Ito, Y, Ikeya, T, Shiro, Y, Ota, M. | Deposit date: | 2005-06-15 | Release date: | 2005-12-13 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Design of lambda Cro fold: solution structure of a monomeric variant of the de novo protein. J.Mol.Biol., 354, 2005
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5D9C
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![BU of 5d9c by Molmil](/molmil-images/mine/5d9c) | Luciferin-regenerating enzyme solved by SIRAS using XFEL (refined against Hg derivative data) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | Deposit date: | 2015-08-18 | Release date: | 2015-09-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography. Sci Rep, 5, 2015
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5ZEO
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5D9B
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![BU of 5d9b by Molmil](/molmil-images/mine/5d9b) | Luciferin-regenerating enzyme solved by SIRAS using XFEL (refined against native data) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | Deposit date: | 2015-08-18 | Release date: | 2015-09-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography. Sci Rep, 5, 2015
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5D9D
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![BU of 5d9d by Molmil](/molmil-images/mine/5d9d) | Luciferin-regenerating enzyme solved by SAD using synchrotron radiation at room temperature | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | Deposit date: | 2015-08-18 | Release date: | 2015-09-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography. Sci Rep, 5, 2015
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5YX2
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![BU of 5yx2 by Molmil](/molmil-images/mine/5yx2) | |
4KVU
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![BU of 4kvu by Molmil](/molmil-images/mine/4kvu) | Crystal structure of a 6-helix coiled coil CC-Hex-L17C-W224BF | Descriptor: | 6-helix coiled coil CC-Hex-L17C-W224BF, GLYCEROL | Authors: | Burton, A.J, Agnew, C, Brady, R.L, Woolfson, D.N. | Deposit date: | 2013-05-23 | Release date: | 2013-08-21 | Last modified: | 2013-09-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Accessibility, Reactivity, and Selectivity of Side Chains within a Channel of de Novo Peptide Assembly. J.Am.Chem.Soc., 135, 2013
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4KVT
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![BU of 4kvt by Molmil](/molmil-images/mine/4kvt) | Crystal structure of a 6-helix coiled coil CC-Hex-L24C | Descriptor: | 6-helix coiled coil CC-Hex-L24C peptide | Authors: | Burton, A.J, Agnew, C, Brady, R.L, Woolfson, D.N. | Deposit date: | 2013-05-23 | Release date: | 2013-08-21 | Last modified: | 2013-09-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Accessibility, Reactivity, and Selectivity of Side Chains within a Channel of de Novo Peptide Assembly. J.Am.Chem.Soc., 135, 2013
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4KVV
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![BU of 4kvv by Molmil](/molmil-images/mine/4kvv) | Crystal structure of an alkylated Cys mutant of CC-Hex | Descriptor: | 6-HELIX COILED COIL CC-HEX-L24C PEPTIDE with an alkylated Cys mutation | Authors: | Burton, A.J, Agnew, C, Brady, R.L, Woolfson, D.N. | Deposit date: | 2013-05-23 | Release date: | 2013-08-21 | Last modified: | 2013-09-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Accessibility, Reactivity, and Selectivity of Side Chains within a Channel of de Novo Peptide Assembly. J.Am.Chem.Soc., 135, 2013
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7EKJ
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2PI4
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![BU of 2pi4 by Molmil](/molmil-images/mine/2pi4) | T7RNAP complexed with a phi10 protein and initiating GTPs. | Descriptor: | 3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*TP*CP*CP*TP*AP*TP*AP*GP*TP*GP*AP*GP*TP*CP*GP*TP*AP*TP*TP*A)-3', 5'-D(*TP*AP*AP*TP*AP*CP*GP*AP*CP*TP*CP*AP*CP*T)-3', ... | Authors: | Kennedy, W.P, Momand, J.R, Yin, Y.W. | Deposit date: | 2007-04-12 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism for de novo RNA synthesis and initiating nucleotide specificity by t7 RNA polymerase. J.Mol.Biol., 370, 2007
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2PI5
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![BU of 2pi5 by Molmil](/molmil-images/mine/2pi5) | T7 RNA polymerase complexed with a phi10 promoter | Descriptor: | 5'-D(*CP*TP*TP*C*CP*TP*AP*TP*AP*GP*TP*GP*AP*GP*TP*CP*GP*TP*AP*TP*TP*A)-3', 5'-D(*TP*AP*AP*TP*AP*CP*GP*AP*CP*TP*CP*AP*CP*T)-3', DNA-directed RNA polymerase | Authors: | Kennedy, W.P, Momand, J.R, Yin, Y.W. | Deposit date: | 2007-04-12 | Release date: | 2007-06-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mechanism for de novo RNA synthesis and initiating nucleotide specificity by t7 RNA polymerase. J.Mol.Biol., 370, 2007
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5CIY
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![BU of 5ciy by Molmil](/molmil-images/mine/5ciy) | Structural basis of the recognition of H3K36me3 by DNMT3B PWWP domain | Descriptor: | DNA (5'-D(P*CP*CP*AP*TP*GP*CP*GP*CP*TP*GP*AP*C)-3'), DNA (5'-D(P*GP*TP*CP*AP*GP*(3DR)P*GP*CP*AP*TP*GP*G)-3'), Modification methylase HhaI, ... | Authors: | Rondelet, G, DAL MASO, T, Willems, L, Wouters, J. | Deposit date: | 2015-07-13 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.594 Å) | Cite: | Structural basis for recognition of histone H3K36me3 nucleosome by human de novo DNA methyltransferases 3A and 3B. J.Struct.Biol., 194, 2016
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5CIU
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![BU of 5ciu by Molmil](/molmil-images/mine/5ciu) | Structural basis of the recognition of H3K36me3 by DNMT3B PWWP domain | Descriptor: | DNA (cytosine-5)-methyltransferase 3B, GLYCEROL, Histone H3.2 | Authors: | Rondelet, G, DAL MASO, T, Willems, L, Wouters, J. | Deposit date: | 2015-07-13 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structural basis for recognition of histone H3K36me3 nucleosome by human de novo DNA methyltransferases 3A and 3B. J.Struct.Biol., 194, 2016
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7JH5
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![BU of 7jh5 by Molmil](/molmil-images/mine/7jh5) | Co-LOCKR: de novo designed protein switch | Descriptor: | Co-LOCKR: de novo designed protein switch | Authors: | Bick, M.J, Lajoie, M.J, Boyken, S.E, Sankaran, B, Baker, D. | Deposit date: | 2020-07-20 | Release date: | 2020-09-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Designed protein logic to target cells with precise combinations of surface antigens. Science, 369, 2020
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7RDH
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7JXT
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![BU of 7jxt by Molmil](/molmil-images/mine/7jxt) | Ovine COX-1 in complex with the subtype-selective derivative 2a | Descriptor: | 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ko, Y, Iaselli, M, Miciaccia, M, Friedrich, L, Schneider, G, Scilimati, A, Cingolani, G. | Deposit date: | 2020-08-27 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Learning from Nature: From a Marine Natural Product to Synthetic Cyclooxygenase-1 Inhibitors by Automated De Novo Design. Adv Sci, 8, 2021
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5NNL
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5OER
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![BU of 5oer by Molmil](/molmil-images/mine/5oer) | Hen egg-white lysozyme refined against 5000 9 keV diffraction patterns | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, Lysozyme C, ... | Authors: | Gorel, A, Schlichting, I. | Deposit date: | 2017-07-09 | Release date: | 2017-10-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Multi-wavelength anomalous diffraction de novo phasing using a two-colour X-ray free-electron laser with wide tunability. Nat Commun, 8, 2017
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2PVC
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![BU of 2pvc by Molmil](/molmil-images/mine/2pvc) | DNMT3L recognizes unmethylated histone H3 lysine 4 | Descriptor: | DNA (cytosine-5)-methyltransferase 3-like, Histone H3 peptide, ZINC ION | Authors: | Cheng, X. | Deposit date: | 2007-05-09 | Release date: | 2007-08-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.69 Å) | Cite: | DNMT3L connects unmethylated lysine 4 of histone H3 to de novo methylation of DNA. Nature, 448, 2007
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2PV0
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![BU of 2pv0 by Molmil](/molmil-images/mine/2pv0) | DNA methyltransferase 3 like protein (DNMT3L) | Descriptor: | DNA (cytosine-5)-methyltransferase 3-like, ZINC ION | Authors: | Cheng, X. | Deposit date: | 2007-05-09 | Release date: | 2007-08-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | DNMT3L connects unmethylated lysine 4 of histone H3 to de novo methylation of DNA. Nature, 448, 2007
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6FL5
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![BU of 6fl5 by Molmil](/molmil-images/mine/6fl5) | Structure of human SHMT1-H135N-R137A-E168N mutant at 3.6 Ang. resolution | Descriptor: | CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase, ... | Authors: | Giardina, G, Cutruzzola, F, Lucchi, R. | Deposit date: | 2018-01-25 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | The catalytic activity of serine hydroxymethyltransferase is essential for de novo nuclear dTMP synthesis in lung cancer cells. FEBS J., 285, 2018
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4KY3
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![BU of 4ky3 by Molmil](/molmil-images/mine/4ky3) | Three-dimensional Structure of the orthorhombic crystal of computationally designed insertion domain , Northeast Structural Genomics Consortium (NESG) Target OR327 | Descriptor: | designed protein OR327 | Authors: | Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Gleixner, J, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-05-28 | Release date: | 2013-06-19 | Last modified: | 2016-02-17 | Method: | X-RAY DIFFRACTION (2.964 Å) | Cite: | Precise assembly of complex beta sheet topologies from de novo designed building blocks. Elife, 4, 2015
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4A8S
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![BU of 4a8s by Molmil](/molmil-images/mine/4a8s) | Non-Catalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial dsRNA virus phi6 from De Novo Initiation to Elongation | Descriptor: | 5'-D(*TP*TP*TP*TP*CP*GP*CP*GP*TP*AP*GP*CP*GP)-3', ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wright, S, Poranen, M.M, Bamford, D.H, Stuart, D.I, Grimes, J.M. | Deposit date: | 2011-11-21 | Release date: | 2012-07-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Noncatalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial Double-Stranded RNA Virus Phi6 from De Novo Initiation to Elongation. J.Virol., 86, 2012
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4A8F
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![BU of 4a8f by Molmil](/molmil-images/mine/4a8f) | Non-Catalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial dsRNA virus phi6 from De Novo Initiation to Elongation | Descriptor: | 5'-D(*DAP*GP*CP*GP)-3', ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wright, S, Poranen, M.M, Bamford, D.H, Stuart, D.I, Grimes, J.M. | Deposit date: | 2011-11-21 | Release date: | 2012-07-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Noncatalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial Double-Stranded RNA Virus Phi6 from De Novo Initiation to Elongation. J.Virol., 86, 2012
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