5YOK
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![BU of 5yok by Molmil](/molmil-images/mine/5yok) | Structure of HIV-1 Protease in Complex with Inhibitor KNI-1657 | Descriptor: | (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, HIV-1 PROTEASE | Authors: | Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y. | Deposit date: | 2017-10-29 | Release date: | 2018-07-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine. J. Med. Chem., 61, 2018
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1UCY
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![BU of 1ucy by Molmil](/molmil-images/mine/1ucy) | |
1UI6
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![BU of 1ui6 by Molmil](/molmil-images/mine/1ui6) | |
1UI5
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7VVI
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![BU of 7vvi by Molmil](/molmil-images/mine/7vvi) | OXA-58 crystal structure of acylated meropenem complex | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, SULFATE ION | Authors: | Saino, H, Sugiyabu, T, Miyano, M. | Deposit date: | 2021-11-06 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | OXA-58 crystal structure of acylated meropenem complex to be published
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1V3W
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![BU of 1v3w by Molmil](/molmil-images/mine/1v3w) | Structure of Ferripyochelin binding protein from Pyrococcus horikoshii OT3 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Jeyakanthan, J, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-11-07 | Release date: | 2003-11-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Observation of a calcium-binding site in the gamma-class carbonic anhydrase from Pyrococcus horikoshii. Acta Crystallogr.,Sect.D, 64, 2008
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1V67
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![BU of 1v67 by Molmil](/molmil-images/mine/1v67) | Structure of ferripyochelin binding protein from pyrococcus horikoshii OT3 | Descriptor: | BICARBONATE ION, CALCIUM ION, ZINC ION, ... | Authors: | Jeyakanthan, J, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-11-27 | Release date: | 2003-12-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Observation of a calcium-binding site in the gamma-class carbonic anhydrase from Pyrococcus horikoshii. Acta Crystallogr.,Sect.D, 64, 2008
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6AAV
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![BU of 6aav by Molmil](/molmil-images/mine/6aav) | Crystal structure of alpha-glucosyl transfer enzyme, XgtA at 1.72 angstrom resolution | Descriptor: | Alpha-glucosyltransferase | Authors: | Kurumizaka, H, Arimura, Y, Kirimura, K, Watanabe, R. | Deposit date: | 2018-07-19 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structure of alpha-glucosyl transfer enzyme XgtA from Xanthomonas campestris WU-9701. Biochem.Biophys.Res.Commun., 526, 2020
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2DW2
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![BU of 2dw2 by Molmil](/molmil-images/mine/2dw2) | Crystal structure of VAP2 from Crotalus atrox venom (Form 2-5 crystal) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)][2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Catrocollastatin, ... | Authors: | Takeda, S, Igarashi, T, Araki, S. | Deposit date: | 2006-08-02 | Release date: | 2007-07-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of catrocollastatin/VAP2B reveal a dynamic, modular architecture of ADAM/adamalysin/reprolysin family proteins Febs Lett., 581, 2007
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5XIF
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![BU of 5xif by Molmil](/molmil-images/mine/5xif) | Crystal Structure of Prolyl-tRNA Synthetase (PRS) from Toxoplasma gondii | Descriptor: | CHLORIDE ION, Prolyl-tRNA synthetase (ProRS) | Authors: | Jain, V, Manickam, Y, Sharma, A. | Deposit date: | 2017-04-26 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis Structure, 25, 2017
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5XIL
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![BU of 5xil by Molmil](/molmil-images/mine/5xil) | Crystal Structure of Leishmania major Prolyl-tRNA Synthetase (LmPRS) | Descriptor: | ACETATE ION, MAGNESIUM ION, Putative prolyl-tRNA synthetase, ... | Authors: | Jain, V, Manickam, Y, Sharma, A. | Deposit date: | 2017-04-26 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis Structure, 25, 2017
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5XIG
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![BU of 5xig by Molmil](/molmil-images/mine/5xig) | Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with Inhibitor 1 | Descriptor: | 3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Jain, V, Manickam, Y, Sharma, A. | Deposit date: | 2017-04-26 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis Structure, 25, 2017
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5ZB8
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5ZO8
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![BU of 5zo8 by Molmil](/molmil-images/mine/5zo8) | Eg5 motor domain in complex with STLC-type inhibitor PVEI0021 (P21 type) | Descriptor: | (2R)-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | Authors: | Yokoyama, H, Sato, K. | Deposit date: | 2018-04-12 | Release date: | 2018-10-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Thermodynamic Basis of the Enhanced Interaction between Kinesin Spindle Protein Eg5 and STLC-type Inhibitors. Acs Omega, 3, 2018
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5XIO
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![BU of 5xio by Molmil](/molmil-images/mine/5xio) | Crystal Structure of Cryptosporidium parvum Prolyl-tRNA Synthetase (CpPRS) in complex with Halofuginone | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Proline-tRNA synthetase class II aaRS (Ybak RNA binding domain plus tRNA synthetase), ... | Authors: | Jain, V, Manickam, Y, Sharma, A. | Deposit date: | 2017-04-26 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis Structure, 25, 2017
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5XIJ
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![BU of 5xij by Molmil](/molmil-images/mine/5xij) | Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with Inhibitor 9 | Descriptor: | 3-[(2R)-2-oxidanyl-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Jain, V, Manickam, Y, Sharma, A. | Deposit date: | 2017-04-26 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis Structure, 25, 2017
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5XIH
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![BU of 5xih by Molmil](/molmil-images/mine/5xih) | Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with inhibitor 5 | Descriptor: | 6,7-bis(fluoranyl)-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Jain, V, Manickam, Y, Sharma, A. | Deposit date: | 2017-04-26 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis Structure, 25, 2017
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5XPL
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![BU of 5xpl by Molmil](/molmil-images/mine/5xpl) | Crystal structure of VDR-LBD complexed with 22S-butyl-25-hydroxyphenyl-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3 | Descriptor: | (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl )cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one, Nuclear receptor coactivator 2, Vitamin D3 receptor | Authors: | Kato, A, Itoh, T, Yamamoto, K. | Deposit date: | 2017-06-03 | Release date: | 2018-06-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action J. Med. Chem., 60, 2017
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5XPM
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![BU of 5xpm by Molmil](/molmil-images/mine/5xpm) | Crystal structure of VDR-LBD complexed with 22S-Butyl-25RS-(hydroxyphenyl)-25-methoxy-2-methylidene-19,26,27-trinor-1-hydroxyvitamin D3 | Descriptor: | (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},3~{S})-3-[(3~{S})-3-(4-hydroxyphenyl)-3-methoxy-propyl]heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Kato, A, Itoh, T, Yamamoto, K. | Deposit date: | 2017-06-03 | Release date: | 2018-06-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action J. Med. Chem., 60, 2017
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5ZO9
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![BU of 5zo9 by Molmil](/molmil-images/mine/5zo9) | Eg5 motor domain in complex with STLC-type inhibitor PVEI0021 (C2 type) | Descriptor: | (2R)-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | Authors: | Yokoyama, H, Sato, K. | Deposit date: | 2018-04-12 | Release date: | 2018-10-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Thermodynamic Basis of the Enhanced Interaction between Kinesin Spindle Protein Eg5 and STLC-type Inhibitors. Acs Omega, 3, 2018
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5XIK
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![BU of 5xik by Molmil](/molmil-images/mine/5xik) | Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with tetrahydro quinazolinone febrifugine | Descriptor: | 3-[2-oxidanylidene-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Jain, V, Manickam, Y, Sharma, A. | Deposit date: | 2017-04-26 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis Structure, 25, 2017
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5XPN
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![BU of 5xpn by Molmil](/molmil-images/mine/5xpn) | Crystal structure of VDR-LBD complexed with 25RS-(hydroxyphenyl)-25-methoxy-2-methylidene-19,26,27-trinor-1-hydroxyvitamin D3 | Descriptor: | (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{S})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, ... | Authors: | Kato, A, Itoh, T, Yamamoto, K. | Deposit date: | 2017-06-03 | Release date: | 2018-07-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action J. Med. Chem., 60, 2017
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5XPP
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![BU of 5xpp by Molmil](/molmil-images/mine/5xpp) | Crystal structure of VDR-LBD complexed with 25RS-(Hydroxyphenyl)-2-methylidene-19,26,27-trinor-1,25-dihydroxyvitamin D3 | Descriptor: | (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{ a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Kato, A, Itoh, T, Yamamoto, K. | Deposit date: | 2017-06-03 | Release date: | 2018-06-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action J. Med. Chem., 60, 2017
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5ZO7
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![BU of 5zo7 by Molmil](/molmil-images/mine/5zo7) | Kinesin spindle protein Eg5 in complex with STLC-type inhibitor PVEI0138 | Descriptor: | (2R)-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | Authors: | Yokoyama, H, Sato, K. | Deposit date: | 2018-04-12 | Release date: | 2018-10-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and Thermodynamic Basis of the Enhanced Interaction between Kinesin Spindle Protein Eg5 and STLC-type Inhibitors. Acs Omega, 3, 2018
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2Z8G
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![BU of 2z8g by Molmil](/molmil-images/mine/2z8g) | Aspergillus niger ATCC9642 isopullulanase complexed with isopanose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isopullulanase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-6)-beta-D-glucopyranose | Authors: | Mizuno, M, Koide, A, Yamamura, A, Akeboshi, H, Yoshida, H, Kamitori, S, Sakano, Y, Nishikawa, A, Tonozuka, T. | Deposit date: | 2007-09-05 | Release date: | 2007-12-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of Aspergillus niger Isopullulanase, a Member of Glycoside Hydrolase Family 49 J.Mol.Biol., 376, 2008
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