6TU6
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6SS3
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![BU of 6ss3 by Molmil](/molmil-images/mine/6ss3) | Kemp Eliminase HG3.17 mutant Q50K, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole | Descriptor: | 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50K, ... | Authors: | Bloch, J.S, Pinkas, D.M, Hilvert, D. | Deposit date: | 2019-09-06 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency Acs Catalysis, 2020
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5V63
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5K5M
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4M6A
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![BU of 4m6a by Molmil](/molmil-images/mine/4m6a) | N-Terminal beta-Strand Swapping in a Consensus Derived Alternative Scaffold Driven by Stabilizing Hydrophobic Interactions | Descriptor: | Tencon | Authors: | Luo, J, Teplyakov, A, Obmolova, G, Malia, T.J, Chan, W, Jocobs, S.A, O'neil, K.T, Gilliland, G.L. | Deposit date: | 2013-08-09 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | N-terminal beta-strand swapping in a consensus-derived alternative scaffold driven by stabilizing hydrophobic interactions. Proteins, 82, 2014
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5KKG
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![BU of 5kkg by Molmil](/molmil-images/mine/5kkg) | Crystal structure of E72A mutant of ancestral protein ancMT of ADP-dependent sugar kinases family | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, IODIDE ION, ... | Authors: | Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V. | Deposit date: | 2016-06-21 | Release date: | 2017-07-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.608 Å) | Cite: | Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases. J. Biol. Chem., 292, 2017
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4NTP
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5UXT
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![BU of 5uxt by Molmil](/molmil-images/mine/5uxt) | Coiled-coil Trimer with Glu:Trp:Lys Triad | Descriptor: | GLYCEROL, coiled-coil trimer with Glu:Trp:Lys triad | Authors: | Smith, M.S, Billings, W.M, Whitby, F.G, Miller, M.B, Price, J.L. | Deposit date: | 2017-02-23 | Release date: | 2017-08-09 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | Enhancing a long-range salt bridge with intermediate aromatic and nonpolar amino acids. Org. Biomol. Chem., 15, 2017
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6TT6
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4OZB
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![BU of 4ozb by Molmil](/molmil-images/mine/4ozb) | Backbone Modifications in the Protein GB1 Helix: beta-ACPC24, beta-3-Lys28, beta-3-Lys31, beta-ACPC35 | Descriptor: | GLYCEROL, Streptococcal Protein GB1 Backbone Modified Variant: beta-ACPC24, beta-3-Lys28, ... | Authors: | Reinert, Z.E, Horne, W.S. | Deposit date: | 2014-02-14 | Release date: | 2014-07-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Folding Thermodynamics of Protein-Like Oligomers with Heterogeneous Backbones. Chem Sci, 5, 2014
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7LL7
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![BU of 7ll7 by Molmil](/molmil-images/mine/7ll7) | [2]Catenane From MccJ25 Variant G12C G21C | Descriptor: | GLY-GLY-ALA-GLY-HIS-VAL-PRO-GLU-TYR-PHE, VAL-CYS-ILE-GLY-THR-PRO-ILE-SER-PHE-TYR-CYS | Authors: | Link, A.J, Schroeder, H.V. | Deposit date: | 2021-02-03 | Release date: | 2021-08-04 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Dynamic covalent self-assembly of mechanically interlocked molecules solely made from peptides. Nat.Chem., 13, 2021
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5VBT
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![BU of 5vbt by Molmil](/molmil-images/mine/5vbt) | Crystal structure of a highly specific and potent USP7 ubiquitin variant inhibitor | Descriptor: | UBH04 | Authors: | DONG, A, DONG, X, LIU, L, GUO, Y, LI, Y, ZHANG, W, WALKER, J.R, SIDHU, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2017-03-30 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Crystal structure of a highly specific and potent USP7 ubiquitin variant inhibitor to be published
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5SUU
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![BU of 5suu by Molmil](/molmil-images/mine/5suu) | X-ray crystallographic structure of a covalent trimer derived from A-beta 17-36. X-ray diffractometer data set. (ORN)CVFFCED(ORN)AII(SAR)L(ORN)V. | Descriptor: | 16mer A-beta peptide: ORN-CYS-VAL-PHE-PHE-CYS-GLU-ASP-ORN-ALA-ILE-ILE-SAR-LEU-ORN-VAL, CHLORIDE ION, IODIDE ION | Authors: | Kreutzer, A.G, Spencer, R.K, Nowick, J.S. | Deposit date: | 2016-08-03 | Release date: | 2017-01-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.032 Å) | Cite: | Stabilization, Assembly, and Toxicity of Trimers Derived from A beta. J.Am.Chem.Soc., 139, 2017
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4J9A
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![BU of 4j9a by Molmil](/molmil-images/mine/4j9a) | Engineered Digoxigenin binder DIG10.3 | Descriptor: | DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.3 | Authors: | Stoddard, B.L, Doyle, L.A. | Deposit date: | 2013-02-15 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Computational design of ligand-binding proteins with high affinity and selectivity. Nature, 501, 2013
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5U59
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![BU of 5u59 by Molmil](/molmil-images/mine/5u59) | Coiled Coil Peptide Metal Coordination Framework: Dimer Fold Grown with Citrate | Descriptor: | CITRIC ACID, COPPER (II) ION, Designed dimeric coiled coil peptide with two terpyridine side chains | Authors: | Tavenor, N.A, Murnin, M.J, Horne, W.S. | Deposit date: | 2016-12-06 | Release date: | 2017-02-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Supramolecular Metal-Coordination Polymers, Nets, and Frameworks from Synthetic Coiled-Coil Peptides. J. Am. Chem. Soc., 139, 2017
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4MTP
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![BU of 4mtp by Molmil](/molmil-images/mine/4mtp) | RdRp from Japanesese Encephalitis Virus | Descriptor: | RNA dependent RNA polymerase, ZINC ION | Authors: | Surana, P, Nair, D.T. | Deposit date: | 2013-09-20 | Release date: | 2013-12-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | RNA-dependent RNA polymerase of Japanese encephalitis virus binds the initiator nucleotide GTP to form a mechanistically important pre-initiation state. Nucleic Acids Res., 42, 2014
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7R50
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7LIB
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6OK8
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![BU of 6ok8 by Molmil](/molmil-images/mine/6ok8) | Crystal structure of Staphylococcal nuclease variant Delta+PHS K127L at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Jeliazkov, J.R, Robinson, A.C, Berger, J.M, Garcia-Moreno E, B, Gray, J.G. | Deposit date: | 2019-04-12 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Toward the computational design of protein crystals with improved resolution. Acta Crystallogr D Struct Biol, 75, 2019
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4NW8
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7RTZ
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4O5T
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![BU of 4o5t by Molmil](/molmil-images/mine/4o5t) | Crystal structure of Diels-Alderase CE20 in complex with a product analog | Descriptor: | 4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1R,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate, Diisopropyl-fluorophosphatase | Authors: | Beck, T, Preiswerk, N, Mayer, C, Hilvert, D. | Deposit date: | 2013-12-20 | Release date: | 2014-06-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Impact of scaffold rigidity on the design and evolution of an artificial Diels-Alderase. Proc.Natl.Acad.Sci.USA, 111, 2014
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7JRH
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5JJR
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![BU of 5jjr by Molmil](/molmil-images/mine/5jjr) | Dengue 3 NS5 protein with compound 29 | Descriptor: | 1,2-ETHANEDIOL, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Lescar, J, El Sahili, A. | Deposit date: | 2016-04-25 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling Plos Pathog., 12, 2016
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5JJS
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![BU of 5jjs by Molmil](/molmil-images/mine/5jjs) | Dengue 3 NS5 protein with compound 27 | Descriptor: | 1,2-ETHANEDIOL, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-{[(1R,3R)-3-methoxycyclohexyl]sulfonyl}benzamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Lescar, J, El Sahili, A. | Deposit date: | 2016-04-25 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling Plos Pathog., 12, 2016
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