6OB5
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![BU of 6ob5 by Molmil](/molmil-images/mine/6ob5) | Computationally-designed, modular sense/response system (S3-2D) | Descriptor: | Ankyrin Repeat Domain (AR), S3-2D variant, FARNESYL DIPHOSPHATE, ... | Authors: | Thompson, M.C, Glasgow, A.A, Huang, Y.M, Fraser, J.S, Kortemme, T. | Deposit date: | 2019-03-19 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.208 Å) | Cite: | Computational design of a modular protein sense-response system. Science, 366, 2019
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6W90
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![BU of 6w90 by Molmil](/molmil-images/mine/6w90) | De novo designed NTF2 fold protein NT-9 | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, NTF2 fold protein loop-helix-loop design NT-9 | Authors: | Thompson, M.C, Pan, X, Liu, L, Fraser, J.S, Kortemme, T. | Deposit date: | 2020-03-21 | Release date: | 2020-08-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Expanding the space of protein geometries by computational design of de novo fold families. Science, 369, 2020
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4TME
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![BU of 4tme by Molmil](/molmil-images/mine/4tme) | |
4TLH
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![BU of 4tlh by Molmil](/molmil-images/mine/4tlh) | |
4TM6
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![BU of 4tm6 by Molmil](/molmil-images/mine/4tm6) | |
4U6I
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![BU of 4u6i by Molmil](/molmil-images/mine/4u6i) | Crystal Structure of the EutL Microcompartment Shell Protein from Clostridium Perfringens Bound to Vitamin B12 | Descriptor: | COBALAMIN, Ethanolamine utilization protein EutL, SODIUM ION | Authors: | Thompson, M.C, Crowley, C.S, Kopstein, J.S, Yeates, T.O. | Deposit date: | 2014-07-29 | Release date: | 2014-10-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a bacterial microcompartment shell protein bound to a cobalamin cofactor. Acta Crystallogr.,Sect.F, 70, 2014
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6ARD
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![BU of 6ard by Molmil](/molmil-images/mine/6ard) | |
6ARC
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![BU of 6arc by Molmil](/molmil-images/mine/6arc) | |
4LIW
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![BU of 4liw by Molmil](/molmil-images/mine/4liw) | |
4OLO
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![BU of 4olo by Molmil](/molmil-images/mine/4olo) | Ligand-free structure of the GrpU microcompartment shell protein from Clostridiales bacterium 1_7_47FAA | Descriptor: | BMC domain protein | Authors: | Thompson, M.C, Ahmed, H, McCarty, K.N, Sawaya, M.R, Yeates, T.O. | Deposit date: | 2014-01-24 | Release date: | 2014-07-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of a unique fe-s cluster binding site in a glycyl-radical type microcompartment shell protein. J.Mol.Biol., 426, 2014
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4EDI
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![BU of 4edi by Molmil](/molmil-images/mine/4edi) | Disulfide bonded EutL from Clostridium perfringens | Descriptor: | Ethanolamine utilization protein, SODIUM ION | Authors: | Thompson, M.C, Cascio, D, Crowley, C.S, Kopstein, J.S, Yeates, T.O. | Deposit date: | 2012-03-27 | Release date: | 2013-03-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | An allosteric model for control of pore opening by substrate binding in the EutL microcompartment shell protein. Protein Sci., 24, 2015
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4FDZ
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![BU of 4fdz by Molmil](/molmil-images/mine/4fdz) | EutL from Clostridium perfringens, Crystallized Under Reducing Conditions | Descriptor: | Ethanolamine utilization protein, SODIUM ION | Authors: | Thompson, M.C, Cascio, D, Crowley, C.S, Kopstein, J.S, Yeates, T.O. | Deposit date: | 2012-05-29 | Release date: | 2013-05-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | An allosteric model for control of pore opening by substrate binding in the EutL microcompartment shell protein. Protein Sci., 24, 2015
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5V5D
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![BU of 5v5d by Molmil](/molmil-images/mine/5v5d) | Room temperature (280K) crystal structure of Kaposi's sarcoma-associated herpesvirus protease in complex with allosteric inhibitor (compound 250) | Descriptor: | 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-(phenylamino)benzoic acid, ORF 17 | Authors: | Thompson, M.C, Acker, T.M, Fraser, J.S, Craik, C.S. | Deposit date: | 2017-03-14 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Allosteric Inhibitors, Crystallography, and Comparative Analysis Reveal Network of Coordinated Movement across Human Herpesvirus Proteases. J. Am. Chem. Soc., 139, 2017
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5V5E
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![BU of 5v5e by Molmil](/molmil-images/mine/5v5e) | Room temperature (280K) crystal structure of Kaposi's sarcoma-associated herpesvirus protease in complex with allosteric inhibitor (compound 733) | Descriptor: | 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid, ORF 17 | Authors: | Thompson, M.C, Acker, T.M, Fraser, J.S, Craik, C.S. | Deposit date: | 2017-03-14 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Allosteric Inhibitors, Crystallography, and Comparative Analysis Reveal Network of Coordinated Movement across Human Herpesvirus Proteases. J. Am. Chem. Soc., 139, 2017
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7RY2
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![BU of 7ry2 by Molmil](/molmil-images/mine/7ry2) | mSandy2 | Descriptor: | mSandy2 | Authors: | Chica, R.A, Legault, S, Thompson, M.C. | Deposit date: | 2021-08-24 | Release date: | 2022-01-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Generation of bright monomeric red fluorescent proteins via computational design of enhanced chromophore packing. Chem Sci, 13, 2022
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8VG5
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![BU of 8vg5 by Molmil](/molmil-images/mine/8vg5) | Crystal Structure of V113N Variant of D-Dopachrome Tautomerase (D-DT) Bound with 4CPPC | Descriptor: | 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid, CITRIC ACID, D-dopachrome decarboxylase | Authors: | Parkins, A, Pilien, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-22 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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8VFK
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![BU of 8vfk by Molmil](/molmil-images/mine/8vfk) | Crystal Structure of Delta 109-117 D-Dopachrome Tautomerase (D-DT) | Descriptor: | CITRATE ANION, D-dopachrome decarboxylase, SODIUM ION | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-21 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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8VDY
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![BU of 8vdy by Molmil](/molmil-images/mine/8vdy) | Crystal Structure of Delta 114-117 D-Dopachrome Tautomerase (D-DT) | Descriptor: | D-dopachrome decarboxylase | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-18 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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8VG8
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![BU of 8vg8 by Molmil](/molmil-images/mine/8vg8) | Crystal Structure of T115A Variant of D-Dopachrome Tautomerase (D-DT) Bound to 4CPPC | Descriptor: | 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid, D-dopachrome decarboxylase | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-23 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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8VFO
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![BU of 8vfo by Molmil](/molmil-images/mine/8vfo) | Crystal Structure of L117G Variant of D-Dopachrome Tautomerase (D-DT) | Descriptor: | CITRIC ACID, D-dopachrome decarboxylase | Authors: | Parkins, A, Pilien, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-21 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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8VFL
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![BU of 8vfl by Molmil](/molmil-images/mine/8vfl) | Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 290K | Descriptor: | D-dopachrome decarboxylase | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-21 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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8VG7
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![BU of 8vg7 by Molmil](/molmil-images/mine/8vg7) | Crystal Structure of T115A Variant of D-Dopachrome Tautomerase (D-DT) | Descriptor: | D-dopachrome decarboxylase | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-23 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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8VFN
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![BU of 8vfn by Molmil](/molmil-images/mine/8vfn) | Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 310K | Descriptor: | D-dopachrome decarboxylase | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-21 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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8VFW
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![BU of 8vfw by Molmil](/molmil-images/mine/8vfw) | Crystal Structure of V113N D-Dopachrome Tautomerase (D-DT) | Descriptor: | CITRIC ACID, D-dopachrome decarboxylase | Authors: | Parkins, A, Wolff, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-22 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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7KQP
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![BU of 7kqp by Molmil](/molmil-images/mine/7kqp) | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form) | Descriptor: | Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-11-17 | Release date: | 2020-12-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (0.88 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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