3V1E
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![BU of 3v1e by Molmil](/molmil-images/mine/3v1e) | Crystal structure of de novo designed MID1-zinc H12E mutant | Descriptor: | Computational design, MID1-zinc H12E mutant, ZINC ION | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | Deposit date: | 2011-12-09 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.073 Å) | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer. J.Am.Chem.Soc., 134, 2012
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3V1B
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![BU of 3v1b by Molmil](/molmil-images/mine/3v1b) | Crystal structure of de novo designed MID1-apo2 | Descriptor: | Computational design, MID1-apo2, GLYCEROL | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | Deposit date: | 2011-12-09 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer. J.Am.Chem.Soc., 134, 2012
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3FGW
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![BU of 3fgw by Molmil](/molmil-images/mine/3fgw) | One chain form of the 66.3 kDa protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, IODIDE ION, ... | Authors: | Lakomek, K, Dickmanns, A, Ficner, R. | Deposit date: | 2008-12-08 | Release date: | 2009-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Initial insight into the function of the lysosomal 66.3 kDa protein from mouse by means of X-ray crystallography Bmc Struct.Biol., 9, 2009
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1QPQ
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![BU of 1qpq by Molmil](/molmil-images/mine/1qpq) | Structure of Quinolinic Acid Phosphoribosyltransferase from Mycobacterium Tuberculosis: A Potential TB Drug Target | Descriptor: | QUINOLINATE PHOSPHORIBOSYLTRANSFERASE, QUINOLINIC ACID, SULFATE ION | Authors: | Sharma, V, Grubmeyer, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 1998-11-20 | Release date: | 1998-11-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of quinolinic acid phosphoribosyltransferase from Mycobacterium tuberculosis: a potential TB drug target. Structure, 6, 1998
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1QPR
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![BU of 1qpr by Molmil](/molmil-images/mine/1qpr) | QUINOLINATE PHOSPHORIBOSYLTRANSFERASE (QAPRTASE) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH PHTHALATE AND PRPCP | Descriptor: | 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose, MANGANESE (II) ION, PHTHALIC ACID, ... | Authors: | Sharma, V, Grubmeyer, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 1998-10-17 | Release date: | 1998-10-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of quinolinic acid phosphoribosyltransferase from Mycobacterium tuberculosis: a potential TB drug target. Structure, 6, 1998
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1QPN
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![BU of 1qpn by Molmil](/molmil-images/mine/1qpn) | |
3FGT
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![BU of 3fgt by Molmil](/molmil-images/mine/3fgt) | Two chain form of the 66.3 kDa protein from mouse lacking the linker peptide | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lakomek, K, Dickmanns, A, Ficner, R. | Deposit date: | 2008-12-08 | Release date: | 2009-09-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Initial insight into the function of the lysosomal 66.3 kDa protein from mouse by means of X-ray crystallography Bmc Struct.Biol., 9, 2009
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3FGR
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![BU of 3fgr by Molmil](/molmil-images/mine/3fgr) | Two chain form of the 66.3 kDa protein at 1.8 Angstroem | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Lakomek, K, Dickmanns, A, Ficner, R. | Deposit date: | 2008-12-08 | Release date: | 2009-09-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Initial insight into the function of the lysosomal 66.3 kDa protein from mouse by means of X-ray crystallography Bmc Struct.Biol., 9, 2009
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1QPO
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![BU of 1qpo by Molmil](/molmil-images/mine/1qpo) | |
7N3T
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![BU of 7n3t by Molmil](/molmil-images/mine/7n3t) | TrkA ECD complex with designed miniprotein ligand | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jude, K.M, Cao, L, Garcia, K.C. | Deposit date: | 2021-06-01 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Design of protein-binding proteins from the target structure alone. Nature, 605, 2022
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7N2Y
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7N2Z
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![BU of 7n2z by Molmil](/molmil-images/mine/7n2z) | Crystal Structure of a de Novo Three-stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) complexes in the dual Tris-thiolate Site | Descriptor: | CHLORIDE ION, LEAD (II) ION, Pb(II)2-(GRAND CoilSerL16CL23C)3, ... | Authors: | Ruckthong, L, Stuckey, J.A, Pecoraro, V.L. | Deposit date: | 2021-05-30 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Open Reading Frame 1 Protein of the Human Long Interspersed Nuclear Element 1 Retrotransposon Binds Multiple Equivalents of Lead. J.Am.Chem.Soc., 143, 2021
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7UDZ
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![BU of 7udz by Molmil](/molmil-images/mine/7udz) | Designed pentameric proton channel LQLL | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel LQLL | Authors: | Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J.M, Liu, L, DeGrado, W.F. | Deposit date: | 2022-03-20 | Release date: | 2022-04-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Transient water wires mediate selective proton transport in designed channel proteins. Nat.Chem., 15, 2023
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7UDX
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![BU of 7udx by Molmil](/molmil-images/mine/7udx) | Designed pentameric proton channel QLQL | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel QLQL | Authors: | Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F. | Deposit date: | 2022-03-20 | Release date: | 2022-04-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Transient water wires mediate selective proton transport in designed channel proteins. Nat.Chem., 15, 2023
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7SMJ
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8FXQ
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![BU of 8fxq by Molmil](/molmil-images/mine/8fxq) | The Crystal Sturucture of Rhizopuspepsin with a bound modified peptide inhibitor generated by de novo drug design. | Descriptor: | ALA-CYS-VAL-LYS, CYCLOHEXANE, Rhizopuspepsin, ... | Authors: | Satyshur, K.A, Rich, D.H, Ripka, A.S. | Deposit date: | 2023-01-25 | Release date: | 2023-02-08 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Aspartic protease inhibitors designed from computer-generated templates bind as predicted. Org Lett, 3, 2001
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2NDL
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![BU of 2ndl by Molmil](/molmil-images/mine/2ndl) | NMR solution structure of PawS Derived Peptide 22 (PDP-22) | Descriptor: | PawS derived peptide | Authors: | Franke, B, Jayasena, A.S, Fisher, M.F, Swedberg, J.E, Taylor, N.L, Mylne, J.S, Rosengren, K. | Deposit date: | 2016-07-17 | Release date: | 2016-12-07 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Diverse cyclic seed peptides in the Mexican zinnia (Zinnia haageana). Biopolymers, 106, 2016
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2N8I
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![BU of 2n8i by Molmil](/molmil-images/mine/2n8i) | Solution NMR Structure of Designed Protein DA05, Northeast Structural Genomics Consortium (NESG) Target OR626 | Descriptor: | Designed Protein DA05 | Authors: | Xu, X, Eletsky, A, Federizon, J.F, Jacobs, T.M, Kuhlman, B, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-10-15 | Release date: | 2016-01-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design of structurally distinct proteins using strategies inspired by evolution. Science, 352, 2016
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2N8W
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![BU of 2n8w by Molmil](/molmil-images/mine/2n8w) | Solution NMR Structure of Designed Protein DA05R1, Northeast Structural Genomics Consortium (NESG) Target OR690 | Descriptor: | Designed Protein DA05R1 | Authors: | Eletsky, A, Federizon, J.F, Xu, X, Pulavarti, S, Jacobs, T.M, Kuhlman, B, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-10-27 | Release date: | 2015-11-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design of structurally distinct proteins using strategies inspired by evolution. Science, 352, 2016
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2MG4
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![BU of 2mg4 by Molmil](/molmil-images/mine/2mg4) | Computational design and experimental verification of a symmetric protein homodimer | Descriptor: | Computational designed homodimer | Authors: | Mou, Y, Huang, P.S, Hsu, F.C, Huang, S.J, Mayo, S.L. | Deposit date: | 2013-10-26 | Release date: | 2015-04-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Computational design and experimental verification of a symmetric protein homodimer. Proc.Natl.Acad.Sci.USA, 112, 2015
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4NDL
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![BU of 4ndl by Molmil](/molmil-images/mine/4ndl) | Computational design and experimental verification of a symmetric homodimer | Descriptor: | ENH-c2b, computational designed homodimer | Authors: | Mou, Y, Huang, P.S, Hsu, F.C, Huang, S.J, Mayo, S.L. | Deposit date: | 2013-10-26 | Release date: | 2014-11-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Computational design and experimental verification of a symmetric protein homodimer. Proc.Natl.Acad.Sci.USA, 112, 2015
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6Y7N
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![BU of 6y7n by Molmil](/molmil-images/mine/6y7n) | The crystal structure of the eight-bladed symmetrical designer protein Tako8 in the presence of tellurotungstic Anderson-Evans (TEW) | Descriptor: | Tako8 | Authors: | Vandebroek, L, Noguchi, H, Parac-Vogt, T.N, Van Meervelt, L, Voet, A.R.D. | Deposit date: | 2020-03-02 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Shape and Size Complementarity-Induced Formation of Supramolecular Protein Assemblies with Metal-Oxo Clusters Cryst.Growth Des., 2021
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6Y7P
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![BU of 6y7p by Molmil](/molmil-images/mine/6y7p) | The complex between the eight-bladed symmetrical designer protein Tako8 and 1:2 zirconium(IV) Wells-Dawson (ZrWD) | Descriptor: | Tako8, W-Zr-cluster | Authors: | Vandebroek, L, Noguchi, H, Parac-Vogt, T.N, Van Meervelt, L, Voet, A.R.D. | Deposit date: | 2020-03-02 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Shape and Size Complementarity-Induced Formation of Supramolecular Protein Assemblies with Metal-Oxo Clusters Cryst.Growth Des., 2021
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6Y7O
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![BU of 6y7o by Molmil](/molmil-images/mine/6y7o) | The complex between the eight-bladed symmetrical designer protein Tako8 and the silicotungstic acid Keggin (STA) | Descriptor: | Keggin (STA), Tako8 | Authors: | Vandebroek, L, Noguchi, H, Parac-Vogt, T.N, Van Meervelt, L, Voet, A.R.D. | Deposit date: | 2020-03-02 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Shape and Size Complementarity-Induced Formation of Supramolecular Protein Assemblies with Metal-Oxo Clusters Cryst.Growth Des., 2021
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4OIO
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![BU of 4oio by Molmil](/molmil-images/mine/4oio) | Crystal structure of Thermus thermophilus pre-insertion substrate complex for de novo transcription initiation | Descriptor: | 5'-D(*CP*CP*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, ... | Authors: | Zhang, Y, Ebright, R.H, Arnold, E. | Deposit date: | 2014-01-20 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides. Elife, 3, 2014
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