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Mine: Large structure entries

6SWN
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH IBET-BD1 (GSK778)
Descriptor:Bromodomain-containing protein 4, GLUTAMIC ACID, 4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, ...
Authors:Chung, C.
Deposit date:2019-09-22
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Selective targeting of BD1 and BD2 of the BET proteins in cancer and immuno-inflammation.
Science, 2020
6SWO
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C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH IBET-BD1 (GSK778)
Descriptor:Bromodomain-containing protein 2, 4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, 1,2-ETHANEDIOL
Authors:Chung, C.
Deposit date:2019-09-22
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Selective targeting of BD1 and BD2 of the BET proteins in cancer and immuno-inflammation.
Science, 2020
6SWP
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C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH IBET-BD2 (GSK046)
Descriptor:Bromodomain-containing protein 2, 1,2-ETHANEDIOL, 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide
Authors:Chung, C.
Deposit date:2019-09-22
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:Selective targeting of BD1 and BD2 of the BET proteins in cancer and immuno-inflammation.
Science, 2020
6SWQ
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH IBET-BD2 (GSK046)
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide
Authors:Chung, C.
Deposit date:2019-09-22
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Selective targeting of BD1 and BD2 of the BET proteins in cancer and immuno-inflammation.
Science, 2020
6PWB
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RIGID BODY FITTING OF FLAGELLIN FLAB, AND FLAGELLAR COILING PROTEINS, FCPA AND FCPB, INTO A 10 ANGSTROM STRUCTURE OF THE ASYMMETRIC FLAGELLAR FILAMENT PURIFIED FROM LEPTOSPIRA BIFLEXA PATOC WT CELLS RESOLVED VIA SUBTOMOGRAM AVERAGING
Descriptor:Flagellin B1 (FlaB1), Flagellar coiling protein A (FcpA), Flagellar coiling protein B (FcpB)
Authors:Gibson, K.H., Sindelar, C.V., Trajtenberg, F., Buschiazzo, A., San Martin, F., Mechaly, A.
Deposit date:2019-07-22
Release date:2020-03-25
Method:ELECTRON MICROSCOPY (9.83 Å)
Cite:An asymmetric sheath controls flagellar supercoiling and motility in the leptospira spirochete.
Elife, 9, 2020
6T8S
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STRUCTURE OF THE MAJOR TYPE IV PILIN PILA1 FROM CLOSTRIDIUM DIFFICILE
Descriptor:Pilin
Authors:Crawshaw, A.D., Basle, A., Salgado, P.S.
Deposit date:2019-10-24
Release date:2020-03-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A practical overview of molecular replacement: Clostridioides difficile PilA1, a difficult case study.
Acta Crystallogr D Struct Biol, 76, 2020
6QL5
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STRUCTURE OF FATTY ACID SYNTHASE COMPLEX WITH BOUND GAMMA SUBUNIT FROM SACCHAROMYCES CEREVISIAE AT 2.8 ANGSTROM
Descriptor:Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, Translation machinery-associated protein 17, ...
Authors:Singh, K., Graf, B., Linden, A., Sautner, V., Urlaub, H., Tittmann, K., Stark, H., Chari, A.
Deposit date:2019-01-31
Release date:2020-03-18
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase.
Cell, 2020
6QL6
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STRUCTURE OF FATTY ACID SYNTHASE COMPLEX FROM SACCHAROMYCES CEREVISIAE AT 2.9 ANGSTROM
Descriptor:Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, [(3~{R})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate, ...
Authors:Singh, K., Graf, B., Linden, A., Sautner, V., Urlaub, H., Tittmann, K., Stark, H., Chari, A.
Deposit date:2019-01-31
Release date:2020-03-18
Last modified:2020-03-25
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase.
Cell, 2020
6QL7
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STRUCTURE OF FATTY ACID SYNTHASE COMPLEX WITH BOUND GAMMA SUBUNIT FROM SACCHAROMYCES CEREVISIAE AT 4.6 ANGSTROM
Descriptor:Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, Translation machinery-associated protein 17
Authors:Singh, K., Graf, B., Linden, A., Sautner, V., Urlaub, H., Tittmann, K., Stark, H., Chari, A.
Deposit date:2019-01-31
Release date:2020-03-18
Method:X-RAY DIFFRACTION (4.6 Å)
Cite:Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase.
Cell, 2020
6QL9
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STRUCTURE OF FATTY ACID SYNTHASE COMPLEX FROM SACCHAROMYCES CEREVISIAE AT 2.9 ANGSTROM
Descriptor:Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, 4'-PHOSPHOPANTETHEINE, ...
Authors:Singh, K., Graf, B., Linden, A., Sautner, V., Urlaub, H., Tittmann, K., Stark, H., Chari, A.
Deposit date:2019-01-31
Release date:2020-03-18
Last modified:2020-03-25
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase.
Cell, 2020
6Y7M
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CRYSTAL STRUCTURE OF THE COMPLEX RESULTING FROM THE REACTION BETWEEN THE SARS-COV MAIN PROTEASE AND TERT-BUTYL (1-((S)-3-CYCLOHEXYL-1-(((S)-4-(CYCLOPROPYLAMINO)-3,4-DIOXO-1-((S)-2-OXOPYRROLIDIN-3-YL)BUTAN-2-YL)AMINO)-1-OXOPROPAN-2-YL)-2-OXO-1,2-DIHYDROPYRIDIN-3-YL)CARBAMATE
Descriptor:Replicase polyprotein 1a, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate, DIMETHYL SULFOXIDE
Authors:Zhang, L., Lin, D., Hilgenfeld, R.
Deposit date:2020-03-01
Release date:2020-03-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the complex resulting from the reaction between the SARS-CoV main protease and tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate
To Be Published
6SNT
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YEAST 80S RIBOSOME STALLED ON SDD1 MRNA.
Descriptor:Saccharomyces cerevisiae S288C 18S ribosomal RNA (RDN18-1), rRNA, 40S ribosomal protein S0-A, ...
Authors:Tesina, P., Buschauer, R., Cheng, J., Becker, T., Beckmann, R.
Deposit date:2019-08-27
Release date:2020-03-04
Last modified:2020-04-01
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:RQT complex dissociates ribosomes collided on endogenous RQC substrate SDD1.
Nat.Struct.Mol.Biol., 2020
6SV4
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THE CRYO-EM STRUCTURE OF SDD1-STALLED COLLIDED TRISOME.
Descriptor:25S rRNA, 5S rRNA, 5.8S rRNA, ...
Authors:Tesina, P., Buschauer, R., Cheng, J., Becker, T., Beckmann, R.
Deposit date:2019-09-17
Release date:2020-03-04
Last modified:2020-04-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:RQT complex dissociates ribosomes collided on endogenous RQC substrate SDD1.
Nat.Struct.Mol.Biol., 2020
6SWZ
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STRUCTURE OF THE C-TERMINAL DOMAIN OF C. GLUTAMICUM MYCOLOYLTRANSFERASE A
Descriptor:Protein PS1, GLYCEROL
Authors:Li de la Sierra-Gallay, I., Van tilbeurgh, H., Bayan, N.
Deposit date:2019-09-24
Release date:2020-03-04
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:The C-terminal domain of Corynebacterium glutamicum mycoloyltransferase A is composed of five repeated motifs involved in cell wall binding and stability.
Mol.Microbiol., 2020
6SX4
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STRUCTURE OF C. GLUTAMICUM MYCOLOYLTRANSFERASE A
Descriptor:Protein PS1, ACETATE ION
Authors:Li de la Sierra-Gallay, I., Van tilbeurgh, H., Bayan, N.
Deposit date:2019-09-24
Release date:2020-03-04
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:The C-terminal domain of Corynebacterium glutamicum mycoloyltransferase A is composed of five repeated motifs involved in cell wall binding and stability.
Mol.Microbiol., 2020
6T8U
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COMPLEMENT FACTOR B IN COMPLEX WITH 5-BROMO-3-CHLORO-N-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-7-METHYL-1H-INDOL-4-AMINE
Descriptor:Complement factor B, 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine, SULFATE ION
Authors:Mainolfi, N., Ehara, T., Karki, R.G., Anderson, K., Mac Sweeney, A., Wiesmann, C., Adams, C., Liao, S.-M., Argikar, U.A., Jendza, K., Zhang, C., Powers, J., Klosowski, D.W., Crowley, M., Kawanami, T., Ding, J., April, M., Forster, C., Serrano-Wu, M., Capparelli, M., Ramqaj, R., Solovay, C., Cumin, F., Smith, T.M., Ferrara, L., Lee, W., Long, D., Prentiss, M., De Erkenez, A., Yang, L., Fang, L., Sellner, H., Sirockin, F., Valeur, E., Erbel, P., Ramage, P., Gerhartz, B., Schubart, A., Flohr, S., Gradoux, N., Feifel, R., Vogg, B., Maibaum, J., Eder, J., Sedrani, R., Harrison, R.A., Mogi, M., Jaffee, B.D., Adams, C.M.
Deposit date:2019-10-25
Release date:2020-03-04
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 2020
6T8V
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COMPLEMENT FACTOR B IN COMPLEX WITH (S)-5,7-DIMETHYL-4-((2-PHENYLPIPERIDIN-1-YL)METHYL)-1H-INDOLE
Descriptor:Complement factor B, SULFATE ION, 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, ...
Authors:Mainolfi, N., Ehara, T., Karki, R.G., Anderson, K., Mac Sweeney, A., Wiesmann, C., Adams, C., Mainolfi, N., Liao, S.-M., Argikar, U.A., Jendza, K., Zhang, C., Powers, J., Klosowski, D.W., Crowley, M., Kawanami, T., Ding, J., April, M., Forster, C., Serrano-Wu, M., Capparelli, M., Ramqaj, R., Solovay, C., Cumin, F., Smith, T.M., Ferrara, L., Lee, W., Long, D., Prentiss, M., De Erkenez, A., Yang, L., Fang, L., Sellner, H., Sirockin, F., Valeur, E., Erbel, P., Ramage, P., Gerhartz, B., Schubart, A., Flohr, S., Gradoux, N., Feifel, R., Vogg, B., Wiesmann, C., Maibaum, J., Eder, J., Sedrani, R., Harrison, R.A., Mogi, M., Jaffee, B.D., Adams, C.M.
Deposit date:2019-10-25
Release date:2020-03-04
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 2020
6T8W
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COMPLEMENT FACTOR B IN COMPLEX WITH (-)-4-(1-((5,7-DIMETHYL-1H-INDOL-4-YL)METHYL)PIPERIDIN-2-YL)BENZOIC ACID
Descriptor:Complement factor B, SULFATE ION, 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole, ...
Authors:Mainolfi, N., Ehara, T., Karki, R.G., Anderson, K., Sweeney, A.M., Wiesmann, C., Adams, C., Mainolfi, N., Liao, S.M., Argikar, U.A., Jendza, K., Zhang, C., Powers, J., Klosowski, D.W., Crowley, M., Kawanami, T., Ding, J., April, M., Forster, C., Wu, M.S., Capparelli, M., Ramqaj, R., Solovay, C., Cumin, F., Smith, T.M., Ferrara, L., Lee, W., Long, D., Prentiss, M., Erkenez, A.D., Yang, L., Fang, L., Sellner, H., Sirockin, F., Valeur, E., Erbel, P., Ramage, P., Gerhartz, B., Schubart, A., Flohr, S., Gradoux, N., Feifel, R., Vogg, B., Wiesmann, C., Maibaum, J., Eder, J., Sedrani, R., Harrison, R.A., Mogi, M., Jaffee, B.D., Adams, C.M.
Deposit date:2019-10-25
Release date:2020-03-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 2020
6TKA
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CRYSTAL STRUCTURE OF HUMAN O-GLCNAC TRANSFERASE BOUND TO SUBSTRATE 7 AND A PEPTIDE FROM HCF-1 PRO-REPEAT 2 (11-26)
Descriptor:UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, HCF-1 pro-repeat 2 (11-26), [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S},6~{R})-3-[6-(butanoylamino)hexanoylamino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate, ...
Authors:Meek, R.W., Davies, G.J.
Deposit date:2019-11-28
Release date:2020-03-04
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A direct fluorescent activity assay for glycosyltransferases enables convenient high-throughput screening: Application to O-GlcNAc Transferase.
Angew.Chem.Int.Ed.Engl., 2020
6V8I
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COMPOSITE ATOMIC MODEL OF THE STAPHYLOCOCCUS AUREUS PHAGE 80ALPHA BASEPLATE
Descriptor:Distal Tail Protein, gp58, Tail-Associated Lysin, ...
Authors:Kizziah, J.L., Dokland, T.
Deposit date:2019-12-11
Release date:2020-03-04
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of the host cell recognition and penetration machinery of a Staphylococcus aureus bacteriophage.
Plos Pathog., 16, 2020
6Y2E
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CRYSTAL STRUCTURE OF THE FREE ENZYME OF THE SARS-COV-2 (2019-NCOV) MAIN PROTEASE
Descriptor:SARS-CoV-2 (2019-nCoV) main protease
Authors:Zhang, L., Sun, X., Hilgenfeld, R.
Deposit date:2020-02-15
Release date:2020-03-04
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 2020
6Y2F
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CRYSTAL STRUCTURE (MONOCLINIC FORM) OF THE COMPLEX RESULTING FROM THE REACTION BETWEEN SARS-COV-2 (2019-NCOV) MAIN PROTEASE AND TERT-BUTYL (1-((S)-1-(((S)-4-(BENZYLAMINO)-3,4-DIOXO-1-((S)-2-OXOPYRROLIDIN-3-YL)BUTAN-2-YL)AMINO)-3-CYCLOPROPYL-1-OXOPROPAN-2-YL)-2-OXO-1,2-DIHYDROPYRIDIN-3-YL)CARBAMATE (ALPHA-KETOAMIDE 13B)
Descriptor:SARS-CoV-2 (2019-nCoV) main protease, DIMETHYL SULFOXIDE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Authors:Zhang, L., Lin, D., Sun, X., Hilgenfeld, R.
Deposit date:2020-02-15
Release date:2020-03-04
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 2020
6Y2G
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CRYSTAL STRUCTURE (ORTHORHOMBIC FORM) OF THE COMPLEX RESULTING FROM THE REACTION BETWEEN SARS-COV-2 (2019-NCOV) MAIN PROTEASE AND TERT-BUTYL (1-((S)-1-(((S)-4-(BENZYLAMINO)-3,4-DIOXO-1-((S)-2-OXOPYRROLIDIN-3-YL)BUTAN-2-YL)AMINO)-3-CYCLOPROPYL-1-OXOPROPAN-2-YL)-2-OXO-1,2-DIHYDROPYRIDIN-3-YL)CARBAMATE (ALPHA-KETOAMIDE 13B)
Descriptor:SARS-CoV-2 (2019-nCoV) main protease, GLYCINE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Authors:Zhang, L., Lin, D., Sun, X., Hilgenfeld, R.
Deposit date:2020-02-15
Release date:2020-03-04
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 2020
6SXS
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GH54 A-L-ARABINOFURANOSIDASE SOAKED WITH CYCLIC SULFATE INHIBITOR
Descriptor:Alpha-L-arabinofuranosidase B, N-ACETYL-D-GLUCOSAMINE, SULFATE ION, ...
Authors:McGregor, N.G.S., Davies, G.J., Nin-Hill, A., Rovira, C.
Deposit date:2019-09-26
Release date:2020-02-26
Last modified:2020-03-18
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
6SXU
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GH51 A-L-ARABINOFURANOSIDASE SOAKED WITH CYCLIC SULFATE INHIBITOR
Descriptor:Intracellular exo-alpha-(1->5)-L-arabinofuranosidase, [(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate, DI(HYDROXYETHYL)ETHER, ...
Authors:McGregor, N.G.S., Davies, G.J.
Deposit date:2019-09-26
Release date:2020-02-26
Last modified:2020-03-18
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020