5VTK
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![BU of 5vtk by Molmil](/molmil-images/mine/5vtk) | Structure of Pin1 WW Domain Variant 1 with beta3-Ser Loop Substitution | Descriptor: | CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Mortenson, D.E, Kreitler, D.F, Thomas, N.C, Gellman, S.H, Forest, K.T. | Deposit date: | 2017-05-17 | Release date: | 2018-02-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure. Chembiochem, 19, 2018
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5VTJ
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![BU of 5vtj by Molmil](/molmil-images/mine/5vtj) | Structure of Pin1 WW Domain Sequence 1 Substituted with [S,S]ACPC | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION | Authors: | Mortenson, D.E, Kreitler, D.F, Thomas, N.C, Gellman, S.H, Forest, K.T. | Deposit date: | 2017-05-17 | Release date: | 2018-02-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure. Chembiochem, 19, 2018
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5VTI
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![BU of 5vti by Molmil](/molmil-images/mine/5vti) | Structure of Pin1 WW Domain Sequence 3 with [R,R]-ACPC Loop Substitution | Descriptor: | CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Mortenson, D.E, Kreitler, D.F, Thomas, N.C, Gellman, S.H, Forest, K.T. | Deposit date: | 2017-05-17 | Release date: | 2018-02-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure. Chembiochem, 19, 2018
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4RWB
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![BU of 4rwb by Molmil](/molmil-images/mine/4rwb) | Racemic influenza M2-TM crystallized from monoolein lipidic cubic phase | Descriptor: | Matrix protein 2, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate | Authors: | Mortenson, D.E, Steinkruger, J.D, Kreitler, D.F, Gellman, S.H, Forest, K.T. | Deposit date: | 2014-12-02 | Release date: | 2015-10-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution structures of a heterochiral coiled coil. Proc.Natl.Acad.Sci.USA, 112, 2015
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4RWC
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![BU of 4rwc by Molmil](/molmil-images/mine/4rwc) | Racemic M2-TM crystallized from racemic detergent | Descriptor: | Matrix protein 2, octyl beta-D-glucopyranoside | Authors: | Mortenson, D.E, Steinkruger, J.D, Kreitler, D.F, Gellman, S.H, Forest, K.T. | Deposit date: | 2014-12-02 | Release date: | 2015-10-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | High-resolution structures of a heterochiral coiled coil. Proc.Natl.Acad.Sci.USA, 112, 2015
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5UI4
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![BU of 5ui4 by Molmil](/molmil-images/mine/5ui4) | Structure of NME1 covalently conjugated to imidazole fluorosulfate | Descriptor: | 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate, Nucleoside diphosphate kinase A | Authors: | Mortenson, D.E, Brighty, G.J, Wilson, I.A, Kelly, J.W. | Deposit date: | 2017-01-12 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | "Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates. J. Am. Chem. Soc., 140, 2018
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5UEH
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![BU of 5ueh by Molmil](/molmil-images/mine/5ueh) | Structure of GSTO1 covalently conjugated to quinolinic acid fluorosulfate | Descriptor: | 2-(4-chlorophenyl)-6-[(fluorosulfonyl)oxy]quinoline-4-carboxylic acid, GLYCEROL, Glutathione S-transferase omega-1, ... | Authors: | Mortenson, D.E, Wilson, I.A, Kelly, J.W. | Deposit date: | 2017-01-02 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | "Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates. J. Am. Chem. Soc., 140, 2018
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3TRW
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![BU of 3trw by Molmil](/molmil-images/mine/3trw) | |
3TJW
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![BU of 3tjw by Molmil](/molmil-images/mine/3tjw) | Crystal Structure of Quasiracemic Villin Headpiece Subdomain Containing (F5Phe10) Substitution | Descriptor: | D-Villin-1, L-Villin-1, SULFATE ION | Authors: | Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T. | Deposit date: | 2011-08-25 | Release date: | 2012-01-25 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations. J.Am.Chem.Soc., 134, 2012
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3TRV
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![BU of 3trv by Molmil](/molmil-images/mine/3trv) | Crystal structure of quasiracemic villin headpiece subdomain containing (F5Phe17) substitution | Descriptor: | D-Villin-1, ISOPROPYL ALCOHOL, L-Villin-1, ... | Authors: | Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T. | Deposit date: | 2011-09-11 | Release date: | 2012-01-25 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations. J.Am.Chem.Soc., 134, 2012
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3TRY
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![BU of 3try by Molmil](/molmil-images/mine/3try) | Crystal structure of racemic villin headpiece subdomain in space group I-4c2 | Descriptor: | D-Villin-1, SULFATE ION | Authors: | Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T. | Deposit date: | 2011-09-11 | Release date: | 2012-01-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations. J.Am.Chem.Soc., 134, 2012
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4GWT
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![BU of 4gwt by Molmil](/molmil-images/mine/4gwt) | Structure of racemic Pin1 WW domain cocrystallized with DL-malic acid | Descriptor: | (2S)-2-hydroxybutanedioic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Mortenson, D.E, Yun, H.G, Gellman, S.H, Forest, K.T. | Deposit date: | 2012-09-03 | Release date: | 2013-10-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Evidence for small-molecule-mediated loop stabilization in the structure of the isolated Pin1 WW domain. Acta Crystallogr.,Sect.D, 69, 2013
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4GWV
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![BU of 4gwv by Molmil](/molmil-images/mine/4gwv) | Structure of racemic Pin1 WW domain cocrystallized with tri-ammonium citrate | Descriptor: | CITRATE ANION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Mortenson, D.E, Yun, H.G, Gellman, S.H, Forest, K.T. | Deposit date: | 2012-09-03 | Release date: | 2013-10-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Evidence for small-molecule-mediated loop stabilization in the structure of the isolated Pin1 WW domain. Acta Crystallogr.,Sect.D, 69, 2013
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7THA
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![BU of 7tha by Molmil](/molmil-images/mine/7tha) | |
5HZQ
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![BU of 5hzq by Molmil](/molmil-images/mine/5hzq) | Crystal structure of cellular retinoic acid binding protein 2 (CRABP2)-aryl fluorosulfate covalent conjugate | Descriptor: | 4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate, Cellular retinoic acid-binding protein 2, GLYCEROL | Authors: | Chen, W, Mortenson, D.E, Wilson, I.A, Kelly, J.W. | Deposit date: | 2016-02-02 | Release date: | 2016-06-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Arylfluorosulfates Inactivate Intracellular Lipid Binding Protein(s) through Chemoselective SuFEx Reaction with a Binding Site Tyr Residue. J.Am.Chem.Soc., 138, 2016
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4MGP
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![BU of 4mgp by Molmil](/molmil-images/mine/4mgp) | Structure of racemic Ala-(8,13,18) Magainin 2 | Descriptor: | Magainin 2 Derivative | Authors: | Hayouka, Z, Mortenson, D.E, Kreitler, D.F, Weisblum, B, Gellman, S.H, Forest, K.T. | Deposit date: | 2013-08-28 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Evidence for Phenylalanine Zipper-Mediated Dimerization in the X-ray Crystal Structure of a Magainin 2 Analogue. J.Am.Chem.Soc., 135, 2013
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5TZL
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![BU of 5tzl by Molmil](/molmil-images/mine/5tzl) | Structure of transthyretin in complex with the kinetic stabilizer 201 | Descriptor: | 4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol, Transthyretin | Authors: | Connelly, S, Mortenson, D.E, Choi, S, Wilson, I.A, Powers, E.T, Kelly, J.W, Johnson, S.M. | Deposit date: | 2016-11-21 | Release date: | 2017-06-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Semi-quantitative models for identifying potent and selective transthyretin amyloidogenesis inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5I1P
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![BU of 5i1p by Molmil](/molmil-images/mine/5i1p) | Villin headpiece subdomain with a Lys30 to beta-3-homolysine substitution | Descriptor: | D-Villin headpiece subdomain, ETHANOL, Villin-1 | Authors: | Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T. | Deposit date: | 2016-02-05 | Release date: | 2016-05-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization. J.Am.Chem.Soc., 138, 2016
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5I1O
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![BU of 5i1o by Molmil](/molmil-images/mine/5i1o) | Villin headpiece subdomain with a Gln26 to ACPC substitution | Descriptor: | D-Villin headpiece subdomain, Villin-1 | Authors: | Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T. | Deposit date: | 2016-02-05 | Release date: | 2016-05-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.348 Å) | Cite: | Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization. J.Am.Chem.Soc., 138, 2016
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5I1N
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![BU of 5i1n by Molmil](/molmil-images/mine/5i1n) | Villin headpiece subdomain with a Gln26 to beta-3-homoglutamine substitution | Descriptor: | D-Villin headpiece subdomain, Villin-1 | Authors: | Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T. | Deposit date: | 2016-02-05 | Release date: | 2016-05-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization. J.Am.Chem.Soc., 138, 2016
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5I1S
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![BU of 5i1s by Molmil](/molmil-images/mine/5i1s) | Villin headpiece subdomain with a Lys30 to APC substitution | Descriptor: | D-Villin headpiece subdomain, Villin-1 | Authors: | Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T. | Deposit date: | 2016-02-05 | Release date: | 2016-05-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization. J.Am.Chem.Soc., 138, 2016
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4HJD
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![BU of 4hjd by Molmil](/molmil-images/mine/4hjd) | GCN4pLI derivative with alpha/beta/acyclic-gamma amino acid substitution pattern | Descriptor: | GCN4pLI(alpha/beta/acyclic gamma) | Authors: | Shin, Y.H, Mortenson, D.E, Satyshur, K.A, Forest, K.T, Gellman, S.H. | Deposit date: | 2012-10-12 | Release date: | 2013-06-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Differential Impact of beta and gamma Residue Preorganization on alpha / beta / gamma-Peptide Helix Stability in Water. J.Am.Chem.Soc., 135, 2013
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4HJB
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![BU of 4hjb by Molmil](/molmil-images/mine/4hjb) | GCN4pLI derivative with alpha/beta/cyclic-gamma amino acid substitution pattern | Descriptor: | GCN4pLI(alpha/beta/cyclic-gamma) | Authors: | Shin, Y.H, Mortenson, D.E, Satyshur, K.A, Forest, K.T, Gellman, S.H. | Deposit date: | 2012-10-12 | Release date: | 2013-06-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Differential Impact of beta and gamma Residue Preorganization on alpha / beta / gamma-Peptide Helix Stability in Water. J.Am.Chem.Soc., 135, 2013
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6MG5
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![BU of 6mg5 by Molmil](/molmil-images/mine/6mg5) | Structure of full-length human lambda-6A light chain JTO in complex with coumarin 1 | Descriptor: | 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one, Light chain JTO, PHOSPHATE ION | Authors: | Morgan, G.J, Yan, N.L, Mortenson, D.E, Stanfield, R.L, Wilson, I.A, Kelly, J.W. | Deposit date: | 2018-09-12 | Release date: | 2019-04-10 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Stabilization of amyloidogenic immunoglobulin light chains by small molecules. Proc.Natl.Acad.Sci.USA, 116, 2019
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6MPL
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![BU of 6mpl by Molmil](/molmil-images/mine/6mpl) | Racemic M2-TM I39A crystallized from racemic detergent | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Matrix protein 2, octyl beta-D-glucopyranoside | Authors: | Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H. | Deposit date: | 2018-10-07 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation. J. Am. Chem. Soc., 141, 2019
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