7GMU
 
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-90fd5f68-22 (Mpro-P2219) | | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.737 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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4P8U
 | | The crystal structures of YKL-39 in the absence of chitooligosaccharides was solved to resolutions of 2.4 angstrom | | Descriptor: | Chitinase-3-like protein 2, DI(HYDROXYETHYL)ETHER, SULFATE ION | | Authors: | Suginta, W, Ranok, A, Robinson, R.C, Wongsantichon, J. | | Deposit date: | 2014-04-01 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and Thermodynamic Insights into Chitooligosaccharide Binding to Human Cartilage Chitinase 3-like Protein 2 (CHI3L2 or YKL-39).
J.Biol.Chem., 290, 2015
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7GNA
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-4483ae88-4 (Mpro-P2415) | | Descriptor: | (4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.093 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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6HE8
 | | PAN-proteasome in state 1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Majumder, P, Rudack, T, Beck, F, Baumeister, W. | | Deposit date: | 2018-08-20 | | Release date: | 2018-12-26 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (6.86 Å) | | Cite: | Cryo-EM structures of the archaeal PAN-proteasome reveal an around-the-ring ATPase cycle.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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9FJM
 | | Cryo-EM structure of the phalloidin-bound pointed end of the actin filament. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Boiero Sanders, M, Oosterheert, W, Hofnagel, O, Bieling, P, Raunser, S. | | Deposit date: | 2024-05-31 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Phalloidin and DNase I-bound F-actin pointed end structures reveal principles of filament stabilization and disassembly
Nat Commun, 2024
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9FJO
 | | Structure of the undecorated pointed end of F-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Boiero Sanders, M, Oosterheert, W, Hofnagel, O, Bieling, P, Raunser, S. | | Deposit date: | 2024-05-31 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Phalloidin and DNase I-bound F-actin pointed end structures reveal principles of filament stabilization and disassembly
Nat Commun, 2024
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4P7A
 | | Crystal Structure of human MLH1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein Mlh1, MAGNESIUM ION, ... | | Authors: | Tempel, W, Lam, R, Zeng, H, Walker, J.R, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-03-26 | | Release date: | 2014-04-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the human MLH1 N-terminus: implications for predisposition to Lynch syndrome.
Acta Crystallogr.,Sect.F, 71, 2015
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4P8W
 | | The crystal structures of YKL-39 in the presence of chitooligosaccharides (GlcNAc4) were solved to resolutions of 1.9 angstrom | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Chitinase-3-like protein 2, SULFATE ION | | Authors: | Suginta, W, Ranok, A, Robinson, R.C, Wongsantichon, J. | | Deposit date: | 2014-04-01 | | Release date: | 2014-12-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural and Thermodynamic Insights into Chitooligosaccharide Binding to Human Cartilage Chitinase 3-like Protein 2 (CHI3L2 or YKL-39).
J.Biol.Chem., 290, 2015
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8QDG
 | | compound 1a bound KMT9 crystal structure | | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3~{S})-pyrrolidin-3-yl]amino]-2-azanyl-butanoic acid, Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein | | Authors: | Sheng, W, Eric, M, Roland, S. | | Deposit date: | 2023-08-29 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.392 Å) | | Cite: | compound 1a bound KMT9 crystal structure
To Be Published
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8QDI
 | | compound 1b bound KMT9 crystal structure | | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[(2~{R})-pyrrolidin-2-yl]ethyl]amino]-2-azanyl-butanoic acid, Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein | | Authors: | Sheng, W, Eric, M, Roland, S. | | Deposit date: | 2023-08-29 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.467 Å) | | Cite: | compound 1a bound KMT9 crystal structure
To Be Published
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6HAX
 | | Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | | Descriptor: | (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. | | Deposit date: | 2018-08-09 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
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7E2H
 | | Cryo-EM structure of hDisp1NNN-3C-Cleavage | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Protein dispatched homolog 1 | | Authors: | Li, W, Wang, L, Gong, X. | | Deposit date: | 2021-02-05 | | Release date: | 2021-12-08 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | Structural insights into proteolytic activation of the human Dispatched1 transporter for Hedgehog morphogen release.
Nat Commun, 12, 2021
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7E2G
 | | Cryo-EM structure of hDisp1NNN-3C | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Protein dispatched homolog 1,Protein dispatched homolog 1 | | Authors: | Li, W, Wang, L, Gong, X. | | Deposit date: | 2021-02-05 | | Release date: | 2021-12-08 | | Method: | ELECTRON MICROSCOPY (3.61 Å) | | Cite: | Structural insights into proteolytic activation of the human Dispatched1 transporter for Hedgehog morphogen release.
Nat Commun, 12, 2021
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7E2I
 | | Cryo-EM structure of hDisp1NNN-ShhN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Protein dispatched homolog 1, ... | | Authors: | Li, W, Wang, L, Gong, X. | | Deposit date: | 2021-02-05 | | Release date: | 2021-12-08 | | Method: | ELECTRON MICROSCOPY (4.07 Å) | | Cite: | Structural insights into proteolytic activation of the human Dispatched1 transporter for Hedgehog morphogen release.
Nat Commun, 12, 2021
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4PMQ
 | | Crystal structure of the Mycobacterium tuberculosis Tat-secreted protein Rv2525c in complex with L-tartrate (orthorhombic crystal form) | | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, Tat-secreted protein Rv2525c | | Authors: | Bellinzoni, M, Haouz, A, Shepard, W, Alzari, P.M. | | Deposit date: | 2014-05-22 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structural studies suggest a peptidoglycan hydrolase function for the Mycobacterium tuberculosis Tat-secreted protein Rv2525c.
J.Struct.Biol., 188, 2014
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4PNS
 | | Crystal Structure of human Tankyrase 2 in complex with INH2BP. | | Descriptor: | 6-amino-5-iodo-2H-chromen-2-one, GLYCEROL, Tankyrase-2, ... | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-25 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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4BI3
 | | Structure and function of amidase toxin - antitoxin combinations associated with the type VI secretion system of Serratia marcescens. | | Descriptor: | POTASSIUM ION, SSP1, SULFATE ION | | Authors: | Srikannathasan, V, English, G, Bui, N.K, Trunk, K, Rourke, P.E.F.O, Rao, V.A, Vollmer, W, Coulthurst, S.J, Hunter, W.N. | | Deposit date: | 2013-04-09 | | Release date: | 2013-06-19 | | Last modified: | 2013-12-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Basis for Type Vi Secreted Peptidoglycan Dl-Endopeptidase Function, Specificity and Neutralization in Serratia Marcescens
Acta Crystallogr.,Sect.D, 69, 2013
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4BJA
 | | Globin-like protein Glb-12 from C.elegans | | Descriptor: | ACETATE ION, PROTEIN GLB-12, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | De Henau, S, Tilleman, L, Germani, F, Pauwels, M, Vlaeminck, C, Vanfleteren, J.R, Bert, W, Pesce, A, Nardini, M, Bolognesi, M, De Wael, K, Moens, L, Dewilde, S, Braeckman, B.P. | | Deposit date: | 2013-04-17 | | Release date: | 2014-05-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | A Redox Signalling Globin is Essential for Reproduction in Caenorhabditis Elegans.
Nat.Commun., 6, 2015
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6J6V
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6J5Y
 | | Crystal structure of fumarylpyruvate hydrolase from Pseudomonas aeruginosa in complex with Mn2+ and pyruvate | | Descriptor: | FAA hydrolase family protein, MANGANESE (II) ION, PYRUVIC ACID | | Authors: | Hong, H, Seo, H, Kim, K.-J, Park, W. | | Deposit date: | 2019-01-12 | | Release date: | 2019-12-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Sequence, structure and function-based classification of the broadly conserved FAH superfamily reveals two distinct fumarylpyruvate hydrolase subfamilies.
Environ.Microbiol., 22, 2020
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121P
 | | STRUKTUR UND GUANOSINTRIPHOSPHAT-HYDROLYSEMECHANISMUS DES C-TERMINAL VERKUERZTEN MENSCHLICHEN KREBSPROTEINS P21-H-RAS | | Descriptor: | H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | | Authors: | Krengel, U, Scheffzek, K, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F. | | Deposit date: | 1991-06-06 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Struktur Und Guanosintriphosphat-Hydrolysemechanismus Des C-Terminal Verkuerzten Menschlichen Krebsproteins P21-H-Ras
Thesis, 1991
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4PDV
 | | Structure of K+ selective NaK mutant in barium and potassium | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BARIUM ION, POTASSIUM ION, ... | | Authors: | Lam, Y, Zeng, W, Sauer, D.B, Jiang, Y. | | Deposit date: | 2014-04-22 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.821 Å) | | Cite: | High Resolution Structural Views of Rubidium, Cesium and Barium Binding within a Potassium Selective Channel Filter
To Be Published
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4PNN
 | | Crystal Structure of human Tankyrase 2 in complex with 4HQN. | | Descriptor: | Tankyrase-2, ZINC ION, quinazolin-4(1H)-one | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-24 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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4AU0
 | | Hypocrea jecorina Cel6A D221A mutant soaked with 6-chloro-4- methylumbelliferyl-beta-cellobioside | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one, EXOGLUCANASE 2, ... | | Authors: | Wu, M, Nerinckx, W, Piens, K, Ishida, T, Hansson, H, Stahlberg, J, Sandgren, M. | | Deposit date: | 2012-05-11 | | Release date: | 2013-01-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Rational Design, Synthesis, Evaluation and Enzyme-Substrate Structures of Improved Fluorogenic Substrates for Family 6 Glycoside Hydrolases.
FEBS J., 280, 2013
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4AY8
 | | SeMet-derivative of a methyltransferase from M. mazei | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1-THIOETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Hoeppner, A, Thomas, F, Rueppel, A, Hensel, R, Blankenfeldt, W, Bayer, P, Faust, A. | | Deposit date: | 2012-06-18 | | Release date: | 2012-10-31 | | Last modified: | 2014-11-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the Corrinoid:Coenzyme M Methyltransferase Mtaa from Methanosarcina Mazei
Acta Crystallogr.,Sect.D, 68, 2012
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