8HHV
 
 | | endo-alpha-D-arabinanase EndoMA1 from Microbacterium arabinogalactanolyticum | | Descriptor: | CALCIUM ION, GLYCEROL, SODIUM ION, ... | | Authors: | Nakashima, C, Li, J, Arakawa, T, Yamada, C, Ishiwata, A, Fujita, K, Fushinobu, S. | | Deposit date: | 2022-11-17 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
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3FU9
 | | Melanocarpus albomyces laccase crystal soaked (20 min) with 2,6-dimethoxyphenol | | Descriptor: | 2,6-dimethoxybenzene-1,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kallio, J.P, Hakulinen, N, Rouvinen, J. | | Deposit date: | 2009-01-14 | | Release date: | 2009-09-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Function Studies of a Melanocarpus albomyces Laccase Suggest a Pathway for Oxidation of Phenolic Compounds.
J.Mol.Biol., 392, 2009
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4DSK
 | | Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus with duplex DNA, PPi and Calcium | | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*GP*CP*TP*AP*CP*AP*GP*GP*AP*CP*TP*CP*G)-3'), DNA (5'-D(*TP*CP*AP*CP*GP*AP*GP*TP*CP*CP*TP*GP*TP*AP*GP*CP*C)-3'), ... | | Authors: | Gan, J.H, Abdur, R, Liu, H.H, Sheng, J, Caton-Willians, J, Soares, A.S, Huang, Z. | | Deposit date: | 2012-02-19 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Biochemical and structural insights into the fidelity of bacillus stearothermophilus DNA polymerase
To be Published
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4J9W
 | | Crystal structure of the complex of a hydroxyproline epimerase (TARGET EFI-506499, PSEUDOMONAS FLUORESCENS PF-5) with the inhibitor pyrrole-2-carboxylate | | Descriptor: | GLYCEROL, PYRROLE-2-CARBOXYLATE, Proline racemase family protein, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-02-17 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the complex of a hydroxyproline epimerase (TARGET EFI-506499, PSEUDOMONAS FLUORESCENS PF-5) with the inhibitor pyrrole-2-carboxylate
To be Published
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4JBD
 | | Crystal structure of Pput_1285, a putative hydroxyproline epimerase from Pseudomonas putida f1 (target EFI-506500), open form, space group I2, bound citrate | | Descriptor: | CITRIC ACID, Proline racemase | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-02-19 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of pput_1285, a putative hydroxyproline epimerase from pseudomonas putida f1 (target efi-506500), open form, space group i2, bound citrate
To be Published
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4JUJ
 | | Crystal structure of 1918 pandemic influenza virus hemagglutinin mutant D225G complexed with human receptor analogue LSTc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Zhang, W, Shi, Y, Qi, J, Gao, F, Li, Q, Fan, Z, Yan, J, Gao, G.F. | | Deposit date: | 2013-03-25 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.013 Å) | | Cite: | Molecular basis of the receptor binding specificity switch of the hemagglutinins from both the 1918 and 2009 pandemic influenza A viruses by a D225G substitution
J.Virol., 87, 2013
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8G1A
 | | Cryo-EM structure of Nav1.7 with CBD | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Fan, X, Huang, J, Yan, N. | | Deposit date: | 2023-02-01 | | Release date: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cannabidiol inhibits Na v channels through two distinct binding sites.
Nat Commun, 14, 2023
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3GF5
 | | Crystal structure of the P21 R1-R7 N-terminal domain of murine MVP | | Descriptor: | GLYCEROL, Major vault protein | | Authors: | Querol-Audi, J, Casanas, A, Luque, D, Caston, J.R, Fita, I, Verdaguer, N. | | Deposit date: | 2009-02-26 | | Release date: | 2009-11-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The mechanism of vault opening from the high resolution structure of the N-terminal repeats of MVP
Embo J., 28, 2009
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1KMD
 | | SOLUTION STRUCTURE OF THE VAM7P PX DOMAIN | | Descriptor: | Vacuolar morphogenesis protein VAM7 | | Authors: | Lu, J, Garcia, J, Dulubova, I, Sudhof, T.C, Rizo, J. | | Deposit date: | 2001-12-14 | | Release date: | 2002-06-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Vam7p PX domain.
Biochemistry, 41, 2002
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3GGU
 | | HIV PR drug resistant patient's variant in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | | Authors: | Saskova, K.G, Brynda, J, Rezacova, P. | | Deposit date: | 2009-03-02 | | Release date: | 2009-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular characterization of clinical isolates of human immunodeficiency virus resistant to the protease inhibitor darunavir.
J.Virol., 83, 2009
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4J71
 | | Crystal Structure of GSK3b in complex with inhibitor 1R | | Descriptor: | (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ... | | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-02-12 | | Release date: | 2013-03-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
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6SLD
 | | Structure of the Phosphatidylcholine Binding Mutant of Yeast Sec14 Homolog Sfh1 (S175I,T177I) in Complex with Phosphatidylinositol | | Descriptor: | (1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CRAL-TRIO domain-containing protein YKL091C | | Authors: | Berger, J, Fitz, M, Johnen, P, Shanmugaratnam, S, Hocker, B, Stiel, A.C, Schaaf, G. | | Deposit date: | 2019-08-19 | | Release date: | 2020-08-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of the Phosphatidylcholine Binding Mutant of Yeast Sec14 Homolog Sfh1 (S175I,T177I) in Complex with Phosphatidylinositol
To Be Published
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7UY8
 | | Tetrahymena Polymerase alpha-Primase | | Descriptor: | DNA polymerase, DNA polymerase alpha subunit B, DNA primase, ... | | Authors: | He, Y, Song, H, Chan, H, Wang, Y, Liu, B, Susac, L, Zhou, Z.H, Feigon, J. | | Deposit date: | 2022-05-06 | | Release date: | 2022-07-13 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structure of Tetrahymena telomerase-bound CST with polymerase alpha-primase.
Nature, 608, 2022
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4DSJ
 | | Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus with duplex DNA, dGTP and Calcium | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA, ... | | Authors: | Gan, J.H, Abdur, R, Liu, H.H, Sheng, J, Caton-Willians, J, Soares, A.S, Huang, Z. | | Deposit date: | 2012-02-19 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Biochemical and structural insights into the fidelity of bacillus stearothermophilus DNA polymerase
To be Published
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3SDD
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4JUH
 | | Crystal structure of 1918 pandemic influenza virus hemagglutinin mutant D225G complexed with avian receptor analogue LSTa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Zhang, W, Shi, Y, Qi, J, Gao, F, Li, Q, Fan, Z, Yan, J, Gao, G.F. | | Deposit date: | 2013-03-24 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.805 Å) | | Cite: | Molecular basis of the receptor binding specificity switch of the hemagglutinins from both the 1918 and 2009 pandemic influenza A viruses by a D225G substitution
J.Virol., 87, 2013
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4DNV
 | | Crystal structure of the W285F mutant of UVB-resistance protein UVR8 | | Descriptor: | AT5g63860/MGI19_6 | | Authors: | Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Zhang, J, Wang, J, Shi, Y. | | Deposit date: | 2012-02-09 | | Release date: | 2012-03-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Structural basis of ultraviolet-B perception by UVR8.
Nature, 484, 2012
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7UWS
 | | Atomic model of the partial VSV nucleocapsid | | Descriptor: | Matrix protein, Nucleoprotein, RNA | | Authors: | Zhou, K, Si, Z, Ge, P, Tsao, J, Luo, M, Zhou, Z.H. | | Deposit date: | 2022-05-03 | | Release date: | 2022-09-28 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Atomic model of vesicular stomatitis virus and mechanism of assembly.
Nat Commun, 13, 2022
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7UAV
 | | Structure of Clostridium botulinum prophage Tad1 in apo state | | Descriptor: | ABC transporter ATPase | | Authors: | Lu, A, Leavitt, A, Yirmiya, E, Amitai, G, Garb, J, Morehouse, B.R, Hobbs, S.J, Sorek, R, Kranzusch, P.J. | | Deposit date: | 2022-03-14 | | Release date: | 2022-10-05 | | Last modified: | 2022-11-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Viruses inhibit TIR gcADPR signalling to overcome bacterial defence.
Nature, 611, 2022
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8FPE
 | | Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-BP | | Descriptor: | N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T. | | Deposit date: | 2023-01-04 | | Release date: | 2023-03-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
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4ABB
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8FUL
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8FUM
 | | AibH1H2 metalated with Fe in the presence of Tris | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amidohydrolase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Powell, M.M, Rittle, J. | | Deposit date: | 2023-01-17 | | Release date: | 2023-04-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Enzymatic Hydroxylation of Aliphatic C-H Bonds by a Mn/Fe Cofactor.
J.Am.Chem.Soc., 145, 2023
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6TZV
 | | Crystal Structure of the carboxyltransferase subunit of ACC (AccD6) in complex with inhibitor Phenyl-Cyclodiaone from Mycobacterium tuberculosis | | Descriptor: | 4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one, Probable propionyl-CoA carboxylase beta chain 6 | | Authors: | Reddy, M.C.M, Zhou, N, Sacchettini, J, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2019-08-13 | | Release date: | 2020-08-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.388 Å) | | Cite: | Novel herbicidal derivatives that inhibit carboxyltransferase subunit of the acetyl-CoA carboxylase in Mycobacterium tuberculosis
To Be Published
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7UAW
 | | Structure of Clostridium botulinum prophage Tad1 in complex with 1''-2' gcADPR | | Descriptor: | (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione, ABC transporter ATPase | | Authors: | Lu, A, Leavitt, A, Yirmiya, E, Amitai, G, Garb, J, Morehouse, B.R, Hobbs, S.J, Sorek, R, Kranzusch, P.J. | | Deposit date: | 2022-03-14 | | Release date: | 2022-10-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Viruses inhibit TIR gcADPR signalling to overcome bacterial defence.
Nature, 611, 2022
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