2E4E
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2HYZ
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2I9N
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2I5V
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![BU of 2i5v by Molmil](/molmil-images/mine/2i5v) | Crystal structure of OspA mutant | Descriptor: | Outer surface protein A, TETRAETHYLENE GLYCOL | Authors: | Makabe, K, Terechko, V, Koide, S. | Deposit date: | 2006-08-25 | Release date: | 2007-12-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | High-Resolution Structure of a Self-Assembly-Competent Form of a Hydrophobic Peptide Captured in a Soluble β-Sheet Scaffold. J.Mol.Biol., 378, 2008
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2OTK
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2P0X
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![BU of 2p0x by Molmil](/molmil-images/mine/2p0x) | solution structure of a non-biological ATP-binding protein | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ZINC ION, abiotic ATP-binding, ... | Authors: | Mansy, S.S, Szostak, J.W, Chaput, J.C. | Deposit date: | 2007-03-01 | Release date: | 2007-08-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure and Evolutionary Analysis of a Non-biological ATP-binding Protein J.Mol.Biol., 371, 2007
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4ZN8
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4A29
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![BU of 4a29 by Molmil](/molmil-images/mine/4a29) | Structure of the engineered retro-aldolase RA95.0 | Descriptor: | 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, D-MALATE, ENGINEERED RETRO-ALDOL ENZYME RA95.0 | Authors: | Giger, L, Caner, S, Kast, P, Baker, D, Ban, N, Hilvert, D. | Deposit date: | 2011-09-23 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Evolution of a designed retro-aldolase leads to complete active site remodeling. Nat.Chem.Biol., 9, 2013
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4IVH
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![BU of 4ivh by Molmil](/molmil-images/mine/4ivh) | Crystal structure of QKLVFFAED nonapeptide segment from amyloid beta incorporated into a macrocyclic beta-sheet template | Descriptor: | SODIUM ION, TERTIARY-BUTYL ALCOHOL, cyclo[Gln-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-(delta-linked-Orn)-Hao-Lys-Hao-(p-bromoPhe)-Thr-(delta-linked-Orn)] | Authors: | Pham, J.D, Chim, N, Goulding, C.W, Nowick, J.S. | Deposit date: | 2013-01-22 | Release date: | 2013-07-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structures of beta-Amyloid Peptide Oligomers J.Am.Chem.Soc., 2013
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7EWH
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![BU of 7ewh by Molmil](/molmil-images/mine/7ewh) | Crystal structure of human PHGDH in complex with Homoharringtonine | Descriptor: | (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, D-3-phosphoglycerate dehydrogenase | Authors: | Hsieh, C.H, Cheng, Y.S, Lee, Y.S, Huang, H.C, Juan, H.F. | Deposit date: | 2021-05-25 | Release date: | 2022-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Homoharringtonine as a PHGDH inhibitor: Unraveling metabolic dependencies and developing a potent therapeutic strategy for high-risk neuroblastoma. Biomed Pharmacother, 166, 2023
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4AFQ
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![BU of 4afq by Molmil](/molmil-images/mine/4afq) | Human Chymase - Fynomer Complex | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHYMASE, CITRATE ANION, ... | Authors: | Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M. | Deposit date: | 2012-01-23 | Release date: | 2012-07-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain. Mabs, 4, 2012
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2R2V
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4JB8
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![BU of 4jb8 by Molmil](/molmil-images/mine/4jb8) | Caspase-7 in Complex with DARPin C7_16 | Descriptor: | Caspase-7 subunit p11, Caspase-7 subunit p20, DARPin C7_16 | Authors: | Fluetsch, A, Seeger, M.A, Gruetter, M.G. | Deposit date: | 2013-02-19 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design, construction, and characterization of a second-generation DARPin library with reduced hydrophobicity. Protein Sci., 22, 2013
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3C3G
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![BU of 3c3g by Molmil](/molmil-images/mine/3c3g) | alpha/beta-Peptide helix bundles: The GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone | Descriptor: | GLYCEROL, alpha/beta peptide with the GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone | Authors: | Horne, W.S, Price, J.L, Gellman, S.H. | Deposit date: | 2008-01-28 | Release date: | 2008-06-17 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Interplay among side chain sequence, backbone composition, and residue rigidification in polypeptide folding and assembly. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3C3F
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3BX8
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![BU of 3bx8 by Molmil](/molmil-images/mine/3bx8) | Engineered Human Lipocalin 2 (LCN2), apo-form | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ENGINEERED HUMAN LIPOCALIN 2, PENTAETHYLENE GLYCOL | Authors: | Schonfeld, D.L, Chatwell, L, Skerra, A. | Deposit date: | 2008-01-11 | Release date: | 2009-01-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High affinity molecular recognition and functional blockade of CTLA-4 by an engineered human lipocalin To be Published
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4KGS
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![BU of 4kgs by Molmil](/molmil-images/mine/4kgs) | Backbone Modifications in the Protein GB1 Loops: beta-3-Val21, beta-3-Asp40 | Descriptor: | GLYCEROL, Streptococcal Protein GB1 Backbone Modified Variant: beta-3-Val21, beta-3-Asp40 | Authors: | Reinert, Z.E, Lengyel, G.A, Horne, W.S. | Deposit date: | 2013-04-29 | Release date: | 2013-09-04 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Protein-like Tertiary Folding Behavior from Heterogeneous Backbones. J.Am.Chem.Soc., 135, 2013
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4KGR
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![BU of 4kgr by Molmil](/molmil-images/mine/4kgr) | Backbone Modifications in the Protein GB1 Helix: beta-3-Ala24, beta-3-Lys28, beta-3-Lys31, beta-3-Asn35 | Descriptor: | GLYCEROL, Streptococcal Protein GB1 Backbone Modified Variant: beta-3-Ala24, beta-3-Lys28, ... | Authors: | Reinert, Z.E, Lengyel, G.A, Horne, W.S. | Deposit date: | 2013-04-29 | Release date: | 2013-09-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Protein-like Tertiary Folding Behavior from Heterogeneous Backbones. J.Am.Chem.Soc., 135, 2013
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4YDY
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3BJE
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4AFZ
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![BU of 4afz by Molmil](/molmil-images/mine/4afz) | Human Chymase - Fynomer Complex | Descriptor: | CHYMASE, D(-)-TARTARIC ACID, FYNOMER | Authors: | Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M. | Deposit date: | 2012-01-23 | Release date: | 2012-07-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain. Mabs, 4, 2012
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4KYV
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![BU of 4kyv by Molmil](/molmil-images/mine/4kyv) | Crystal Structure of dehalogenase HaloTag2 with HALTS at the resolution 1.8A. Northeast Structural Genomics Consortium (NESG) Target OR150 | Descriptor: | N-(2-ethoxy-3,5-dimethylbenzyl)-1H-tetrazol-5-amine, SODIUM ION, dehalogenase HaloTag2 | Authors: | Kuzin, A, Lew, S, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-05-29 | Release date: | 2013-07-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | Northeast Structural Genomics Consortium Target OR150 To be Published
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2P6J
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![BU of 2p6j by Molmil](/molmil-images/mine/2p6j) | Full-sequence computational design and solution structure of a thermostable protein variant | Descriptor: | designed engrailed homeodomain variant UVF | Authors: | Shah, P.S, Hom, G.K, Ross, S.A, Lassila, J.K, Crowhurst, K.A, Mayo, S.L. | Deposit date: | 2007-03-18 | Release date: | 2007-08-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Full-sequence Computational Design and Solution Structure of a Thermostable Protein Variant. J.Mol.Biol., 372, 2007
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4KUP
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![BU of 4kup by Molmil](/molmil-images/mine/4kup) | Endothiapepsin in complex with 20mM acylhydrazone inhibitor | Descriptor: | (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Radeva, N, Heine, A, Klebe, G. | Deposit date: | 2013-05-22 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.311 Å) | Cite: | Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry. Angew.Chem.Int.Ed.Engl., 53, 2014
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3B3M
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![BU of 3b3m by Molmil](/molmil-images/mine/3b3m) | Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-3-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol | Descriptor: | 3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Igarashi, J, Li, H, Poulos, T.L. | Deposit date: | 2007-10-22 | Release date: | 2008-07-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors. J.Am.Chem.Soc., 130, 2008
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