3NWF
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![BU of 3nwf by Molmil](/molmil-images/mine/3nwf) | Glycoprotein B from Herpes simplex virus type 1, low-pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein B, MESO-ERYTHRITOL, ... | Authors: | Stampfer, S.D, Lou, H, Cohen, G.H, Eisenberg, R.J, Heldwein, E.E. | Deposit date: | 2010-07-09 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1. J.Virol., 84, 2010
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2C0G
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![BU of 2c0g by Molmil](/molmil-images/mine/2c0g) | Structure of PDI-related Chaperone, Wind mutant-Y53S | Descriptor: | CHLORIDE ION, SODIUM ION, WINDBEUTEL PROTEIN | Authors: | Sevvana, M, Ma, Q, Barnewitz, K, Guo, C, Soling, H.-D, Ferrari, D.M, Sheldrick, G.M. | Deposit date: | 2005-09-02 | Release date: | 2006-08-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Elucidation of the Pdi-Related Chaperone Wind with the Help of Mutants. Acta Crystallogr.,Sect.D, 62, 2006
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3WNM
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![BU of 3wnm by Molmil](/molmil-images/mine/3wnm) | D308A mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with isomaltoheptaose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, ... | Authors: | Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Kishine, N, Suzuki, R, Suzuki, S, Kitamura, S, Kobayashi, M, Kimura, A, Funane, K. | Deposit date: | 2013-12-10 | Release date: | 2014-02-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural elucidation of the cyclization mechanism of alpha-1,6-glucan by Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase. J.Biol.Chem., 289, 2014
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2DEG
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![BU of 2deg by Molmil](/molmil-images/mine/2deg) | Crystal structure of tt0972 protein form Thermus Thermophilus with Mn2(+) ions | Descriptor: | GLYCEROL, MANGANESE (II) ION, SODIUM ION, ... | Authors: | Inagaki, E, Nakano, N, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-02-10 | Release date: | 2007-05-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of tt0972 protein form Thermus Thermophilus To be Published
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2DIE
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![BU of 2die by Molmil](/molmil-images/mine/2die) | Alkaline alpha-amylase AmyK from Bacillus sp. KSM-1378 | Descriptor: | CALCIUM ION, SODIUM ION, amylase | Authors: | Shirai, T, Igarashi, K, Ozawa, T, Hagihara, H, Kobayashi, T, Ozaki, K, Ito, S. | Deposit date: | 2006-03-29 | Release date: | 2007-02-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Ancestral sequence evolutionary trace and crystal structure analyses of alkaline alpha-amylase from Bacillus sp. KSM-1378 to clarify the alkaline adaptation process of proteins Proteins, 66, 2007
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3NW8
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![BU of 3nw8 by Molmil](/molmil-images/mine/3nw8) | Glycoprotein B from Herpes simplex virus type 1, Y179S mutant, high-pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Stampfer, S.D, Lou, H, Cohen, G.H, Eisenberg, R.J, Heldwein, E.E. | Deposit date: | 2010-07-09 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75915 Å) | Cite: | Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1. J.Virol., 84, 2010
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3WDR
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![BU of 3wdr by Molmil](/molmil-images/mine/3wdr) | Crystal structure of beta-mannanase from a symbiotic protist of the termite Reticulitermes speratus complexed with gluco-manno-oligosaccharide | Descriptor: | BICARBONATE ION, Beta-mannanase, MAGNESIUM ION, ... | Authors: | Tsukagoshi, H, Ishida, T, Touhara, K.K, Igarashi, K, Samejima, M, Fushinobu, S, Kitamoto, K, Arioka, M. | Deposit date: | 2013-06-20 | Release date: | 2014-03-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and Biochemical Analyses of Glycoside Hydrolase Family 26 beta-Mannanase from a Symbiotic Protist of the Termite Reticulitermes speratus J.Biol.Chem., 289, 2014
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2DPW
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3WNL
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![BU of 3wnl by Molmil](/molmil-images/mine/3wnl) | D308A mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with isomaltohexaose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, ... | Authors: | Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Kishine, N, Suzuki, R, Suzuki, S, Kitamura, S, Kobayashi, M, Kimura, A, Funane, K. | Deposit date: | 2013-12-10 | Release date: | 2014-02-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural elucidation of the cyclization mechanism of alpha-1,6-glucan by Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase. J.Biol.Chem., 289, 2014
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1RJO
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![BU of 1rjo by Molmil](/molmil-images/mine/1rjo) | AGAO + Xe | Descriptor: | COPPER (II) ION, GLYCEROL, Phenylethylamine oxidase, ... | Authors: | Guss, J.M, Trambaiolo, D.M, Duff, A.P. | Deposit date: | 2003-11-19 | Release date: | 2004-12-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Using Xenon as a Probe for Dioxygen-binding Sites in Copper Amine Oxidases J.Mol.Biol., 344, 2004
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3WDQ
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![BU of 3wdq by Molmil](/molmil-images/mine/3wdq) | Crystal structure of beta-mannanase from a symbiotic protist of the termite Reticulitermes speratus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-mannanase, MAGNESIUM ION, ... | Authors: | Tsukagoshi, H, Ishida, T, Touhara, K.K, Igarashi, K, Samejima, M, Fushinobu, S, Kitamoto, K, Arioka, M. | Deposit date: | 2013-06-20 | Release date: | 2014-03-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural and Biochemical Analyses of Glycoside Hydrolase Family 26 beta-Mannanase from a Symbiotic Protist of the Termite Reticulitermes speratus J.Biol.Chem., 289, 2014
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2C3A
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![BU of 2c3a by Molmil](/molmil-images/mine/2c3a) | Structure of unliganded HSV gD reveals a mechanism for receptor- mediated activation of virus entry | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCOPROTEIN D, ... | Authors: | Krummenacher, C, Supekar, V.M, Whitbeck, J.C, Lazear, E, Connolly, S.A, Eisenberg, R.J, Cohen, G.H, Wiley, D.C, Carfi, A. | Deposit date: | 2005-10-05 | Release date: | 2005-12-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Unliganded Hsv Gd Reveals a Mechanism for Receptor-Mediated Activation of Virus Entry. Embo J., 24, 2005
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3O9K
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![BU of 3o9k by Molmil](/molmil-images/mine/3o9k) | Influenza NA in complex with compound 6 | Descriptor: | 5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid, Neuraminidase | Authors: | Russell, R.J, Kerry, P.S. | Deposit date: | 2010-08-04 | Release date: | 2010-12-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4945 Å) | Cite: | Novel sialic acid derivatives lock open the 150-loop of an influenza A virus group-1 sialidase. Nat Commun, 1, 2010
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2BDY
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![BU of 2bdy by Molmil](/molmil-images/mine/2bdy) | thrombin in complex with inhibitor | Descriptor: | Hirudin IIIB', N-(4-CARBAMIMIDOYL-BENZYL)-2-[2-HYDROXY-6-METHYL-3-(NAPHTHALENE-1-SULFONYLAMINO)-PHENYL]-ACETAMIDE, SODIUM ION, ... | Authors: | Xue, Y. | Deposit date: | 2005-10-21 | Release date: | 2006-10-24 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure. Bioorg.Med.Chem.Lett., 16, 2006
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3WAW
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![BU of 3waw by Molmil](/molmil-images/mine/3waw) | Crystal Structure of Autotaxin in Complex with 2BoA | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Nishimasu, H, Ishitani, R, Nureki, O. | Deposit date: | 2013-05-09 | Release date: | 2013-07-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.954 Å) | Cite: | Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe Acs Chem.Biol., 8, 2013
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3WNP
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![BU of 3wnp by Molmil](/molmil-images/mine/3wnp) | D308A, F268V, D469Y, A513V, and Y515S quintuple mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with isomaltoundecaose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, ... | Authors: | Suzuki, R, Suzuki, N, Fujimoto, Z, Momma, M, Kimura, K, Kitamura, S, Kimura, A, Funane, K. | Deposit date: | 2013-12-10 | Release date: | 2014-02-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular engineering of cycloisomaltooligosaccharide glucanotransferase from Bacillus circulans T-3040: structural determinants for the reaction product size and reactivity. Biochem.J., 467, 2015
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3P5J
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![BU of 3p5j by Molmil](/molmil-images/mine/3p5j) | |
2C9R
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![BU of 2c9r by Molmil](/molmil-images/mine/2c9r) | apo-H91F CopC | Descriptor: | COPPER RESISTANCE PROTEIN C, SODIUM ION | Authors: | Zhang, L, Koay, M, Maher, M.J, Xiao, Z, Wedd, A.G. | Deposit date: | 2005-12-14 | Release date: | 2006-05-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Intermolecular Transfer of Copper Ions from the Copc Protein of Pseudomonas Syringae. Crystal Structures of Fully Loaded Cu(I)Cu(II) Forms. J.Am.Chem.Soc., 128, 2006
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2C93
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![BU of 2c93 by Molmil](/molmil-images/mine/2c93) | thrombin inhibitors | Descriptor: | DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE, ... | Authors: | Howard, N, Abell, C, Blakemore, W, Carr, R, Chessari, G, Congreve, M, Howard, S, Jhoti, H, Murray, C.W, Seavers, L.C.A, van Montfort, R.L.M. | Deposit date: | 2005-12-09 | Release date: | 2006-07-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors J.Med.Chem., 49, 2006
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3W5N
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![BU of 3w5n by Molmil](/molmil-images/mine/3w5n) | Crystal Structure of Streptomyces avermitilis alpha-L-rhamnosidase complexed with L-rhamnose | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Putative rhamnosidase, ... | Authors: | Fujimoto, Z, Jackson, A, Michikawa, M, Maehara, T, Momma, M, Henrissat, B.F, Gilbert, H.J, Kaneko, S. | Deposit date: | 2013-01-31 | Release date: | 2013-03-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structure of a Streptomyces avermitilis alpha-L-rhamnosidase reveals a novel carbohydrate-binding module CBM67 within the six-domain arrangement. J.Biol.Chem., 288, 2013
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2C8Z
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![BU of 2c8z by Molmil](/molmil-images/mine/2c8z) | thrombin inhibitors | Descriptor: | 1-(3-CHLOROPHENYL)METHANAMINE, DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, ... | Authors: | Howard, N, Abell, C, Blakemore, W, Carr, R, Chessari, G, Congreve, M, Howard, S, Jhoti, H, Murray, C.W, Seavers, L.C.A, van Montfort, R.L.M. | Deposit date: | 2005-12-08 | Release date: | 2006-07-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors J.Med.Chem., 49, 2006
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2CD7
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![BU of 2cd7 by Molmil](/molmil-images/mine/2cd7) | Staphylococcus aureus pI258 arsenate reductase (ArsC) H62Q mutant | Descriptor: | PROTEIN ARSC, SODIUM ION | Authors: | Buts, L, Roos, G, Van Belle, K, Brosens, E, Loris, R, Wyns, L, Messens, J. | Deposit date: | 2006-01-23 | Release date: | 2006-06-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Interplay between Ion Binding and Catalysis in the Thioredoxin-Coupled Arsenate Reductase Family. J.Mol.Biol., 360, 2006
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2CFK
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![BU of 2cfk by Molmil](/molmil-images/mine/2cfk) | AGAO in complex with wc5 (Ru-wire inhibitor, 5-carbon linker) | Descriptor: | COPPER (II) ION, GLYCEROL, PHENYLETHYLAMINE OXIDASE, ... | Authors: | Langley, D.B, Duff, A.P, Freeman, H.C, Guss, J.M, Juda, G.A, Dooley, D.M, Contakes, S.M, Halpern-Manners, N.W, Dunn, A.R, Gray, H.B. | Deposit date: | 2006-02-21 | Release date: | 2007-05-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Enantiomer-specific binding of ruthenium(II) molecular wires by the amine oxidase of Arthrobacter globiformis. J. Am. Chem. Soc., 130, 2008
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3WAY
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![BU of 3way by Molmil](/molmil-images/mine/3way) | Crystal Structure of Autotaxin in Complex with 4BoA | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Nishimasu, H, Ishitani, R, Nureki, O. | Deposit date: | 2013-05-09 | Release date: | 2013-07-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.746 Å) | Cite: | Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe Acs Chem.Biol., 8, 2013
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3WAX
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![BU of 3wax by Molmil](/molmil-images/mine/3wax) | Crystal Structure of Autotaxin in Complex with 3BoA | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Nishimasu, H, Ishitani, R, Nureki, O. | Deposit date: | 2013-05-09 | Release date: | 2013-07-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe Acs Chem.Biol., 8, 2013
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