5AUS
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![BU of 5aus by Molmil](/molmil-images/mine/5aus) | Hydrogenobacter thermophilus cytochrome c552 dimer formed by domain swapping at C-terminal region | Descriptor: | Cytochrome c-552, HEME C | Authors: | Ren, C, Nagao, S, Yamanaka, M, Komori, H, Shomura, Y, Higuchi, Y, Hirota, S. | Deposit date: | 2015-06-08 | Release date: | 2015-10-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Oligomerization enhancement and two domain swapping mode detection for thermostable cytochrome c552via the elongation of the major hinge loop. Mol Biosyst, 11, 2015
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3VWP
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![BU of 3vwp by Molmil](/molmil-images/mine/3vwp) | Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/R187S/H266N/D370Y mutant complexd with 6-aminohexanoate | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ... | Authors: | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | Deposit date: | 2012-08-30 | Release date: | 2013-10-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction to be published
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4E9Y
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![BU of 4e9y by Molmil](/molmil-images/mine/4e9y) | Multicopper Oxidase mgLAC (data4) | Descriptor: | CHLORIDE ION, COPPER (II) ION, Multicopper oxidase, ... | Authors: | Komori, H, Miyazaki, K, Higuchi, Y. | Deposit date: | 2012-03-21 | Release date: | 2013-03-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | New insights into the catalytic active-site structure of multicopper oxidases. Acta Crystallogr.,Sect.D, 70, 2014
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4EF3
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![BU of 4ef3 by Molmil](/molmil-images/mine/4ef3) | Multicopper Oxidase CueO (Citrate buffer) | Descriptor: | Blue copper oxidase CueO, CITRIC ACID, COPPER (II) ION, ... | Authors: | Komori, H, Kataoka, K, Sakurai, T, Higuchi, Y. | Deposit date: | 2012-03-29 | Release date: | 2013-05-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exogenous acetate ion reaches the type II copper centre in CueO through the water-excretion channel and potentially affects the enzymatic activity. Acta Crystallogr.,Sect.F, 72, 2016
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2ZWL
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![BU of 2zwl by Molmil](/molmil-images/mine/2zwl) | Human factor viia-tissue factor complexed with highly selective peptide inhibitor | Descriptor: | 2-[[(2R)-1-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]sulfamoyl]ethanoic acid, CALCIUM ION, Factor VII heavy chain, ... | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Sato, H, Ohta, M, Kozono, T. | Deposit date: | 2008-12-16 | Release date: | 2009-01-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Human factor viia-tissue factor complexed with highly selective peptide inhibitor To be Published
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2Z6J
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![BU of 2z6j by Molmil](/molmil-images/mine/2z6j) | Crystal Structure of S. pneumoniae Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex with an Inhibitor | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID, CALCIUM ION, ... | Authors: | Saito, J, Yamada, M, Watanabe, T, Takeuchi, Y. | Deposit date: | 2007-08-01 | Release date: | 2008-04-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of enoyl-acyl carrier protein reductase (FabK) from Streptococcus pneumoniae reveals the binding mode of an inhibitor. Protein Sci., 17, 2008
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2ZCB
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![BU of 2zcb by Molmil](/molmil-images/mine/2zcb) | Crystal Structure of ubiquitin P37A/P38A | Descriptor: | Ubiquitin, ZINC ION | Authors: | Kitahara, R, Tanaka, T, Sakata, E, Yamaguchi, Y, Kato, K, Yokoyama, S. | Deposit date: | 2007-11-08 | Release date: | 2007-11-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of ubiquitin P37A/P38A To be published
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4MMH
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![BU of 4mmh by Molmil](/molmil-images/mine/4mmh) | Crystal structure of heparan sulfate lyase HepC from Pedobacter heparinus | Descriptor: | CALCIUM ION, Heparinase III protein | Authors: | Maruyama, Y, Nakamichi, Y, Mikami, B, Murata, K, Hashimoto, W. | Deposit date: | 2013-09-09 | Release date: | 2014-01-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of Pedobacter heparinus Heparin Lyase Hep III with the Active Site in a Deep Cleft Biochemistry, 53, 2014
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4MMI
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![BU of 4mmi by Molmil](/molmil-images/mine/4mmi) | Crystal structure of heparan sulfate lyase HepC mutant from Pedobacter heparinus | Descriptor: | CALCIUM ION, Heparinase III protein | Authors: | Maruyama, Y, Nakamichi, Y, Mikami, B, Murata, K, Hashimoto, W. | Deposit date: | 2013-09-09 | Release date: | 2014-01-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Pedobacter heparinus Heparin Lyase Hep III with the Active Site in a Deep Cleft Biochemistry, 53, 2014
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2ZC6
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![BU of 2zc6 by Molmil](/molmil-images/mine/2zc6) | Penicillin-binding protein 1A (PBP 1A) acyl-enzyme complex (tebipenem) from Streptococcus pneumoniae | Descriptor: | (4R,5S)-3-(1-(4,5-dihydrothiazol-2-yl)azetidin-3-ylthio)-5-((2S,3R)-3-hydroxy-1-oxobutan-2-yl)-4-methyl-4,5- dihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein 1A, ZINC ION | Authors: | Yamada, M, Watanabe, T, Takeuchi, Y. | Deposit date: | 2007-11-02 | Release date: | 2008-04-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structures of Biapenem and Tebipenem Complexed with Penicillin-Binding Proteins 2X and 1A from Streptococcus pneumoniae Antimicrob.Agents Chemother., 52, 2008
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2ZP0
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![BU of 2zp0 by Molmil](/molmil-images/mine/2zp0) | Human factor viia-tissue factor complexed with benzylsulfonamide-D-ile-gln-P-aminobenzamidine | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2R,3R)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide, CALCIUM ION, Factor VII heavy chain, ... | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H. | Deposit date: | 2008-06-20 | Release date: | 2008-07-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Peptide Mimetic Factor VIIa Inhibitor: Importance of Hydrophilic Pocket in S2 Site to Improve Selectivity aganist Thrombin LETT.DRUG DES.DISCOVERY, 2, 2005
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3RFN
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![BU of 3rfn by Molmil](/molmil-images/mine/3rfn) | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | Descriptor: | BB_1wnu_001, ZINC ION | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | Deposit date: | 2011-04-06 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope. J.Mol.Biol., 415, 2012
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2ZNM
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![BU of 2znm by Molmil](/molmil-images/mine/2znm) | Oxidoreductase NmDsbA3 from Neisseria meningitidis | Descriptor: | Thiol:disulfide interchange protein DsbA | Authors: | Vivian, J.P, Scoullar, J, Robertson, A.L, Bottomley, S.P, Horne, J, Chin, Y, Velkov, T, Wielens, J, Thompson, P.E, Piek, S, Byres, E, Beddoe, T, Wilce, M.C.J, Kahler, C, Rossjohn, J, Scanlon, M.J. | Deposit date: | 2008-04-30 | Release date: | 2008-08-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Biochemical Characterization of the Oxidoreductase NmDsbA3 from Neisseria meningitidis J.Biol.Chem., 283, 2008
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2ZC3
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![BU of 2zc3 by Molmil](/molmil-images/mine/2zc3) | Penicillin-binding protein 2X (PBP 2X) acyl-enzyme complex (biapenem) from Streptococcus pneumoniae | Descriptor: | (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-meth yl-4,5-dihydro-1H-pyrrole-2-carboxylate, Penicillin-binding protein 2X, SULFATE ION | Authors: | Yamada, M, Watanabe, T, Takeuchi, Y. | Deposit date: | 2007-11-02 | Release date: | 2008-04-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structures of Biapenem and Tebipenem Complexed with Penicillin-Binding Proteins 2X and 1A from Streptococcus pneumoniae Antimicrob.Agents Chemother., 52, 2008
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3RHU
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![BU of 3rhu by Molmil](/molmil-images/mine/3rhu) | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | Descriptor: | SC_1wnu | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | Deposit date: | 2011-04-12 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope. J.Mol.Biol., 415, 2012
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4H4P
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![BU of 4h4p by Molmil](/molmil-images/mine/4h4p) | Crystal Structure of Ferredoxin reductase, BphA4 E175Q/Q177K mutant (oxidized form) | Descriptor: | Biphenyl dioxygenase ferredoxin reductase subunit, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ... | Authors: | Nishizawa, A, Harada, A, Senda, M, Tachihara, Y, Muramatsu, D, Kishigami, S, Mori, S, Sugiyama, K, Senda, T, Kimura, S. | Deposit date: | 2012-09-18 | Release date: | 2013-10-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.502 Å) | Cite: | Random Mutagenesis with the Project Assessment for Complete Conversion of Co-Factor Specificity of a Ferredoxin Reductase BphA4 To be Published
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4H4X
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![BU of 4h4x by Molmil](/molmil-images/mine/4h4x) | Crystal Structure of Ferredoxin reductase, BphA4 E175A/T176R/Q177G mutant (oxidized form) | Descriptor: | Biphenyl dioxygenase ferredoxin reductase subunit, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ... | Authors: | Nishizawa, A, Harada, A, Senda, M, Tachihara, Y, Muramatsu, D, Kishigami, S, Mori, S, Sugiyama, K, Senda, T, Kimura, S. | Deposit date: | 2012-09-18 | Release date: | 2013-10-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Random Mutagenesis with the Project Assessment for Complete Conversion of Co-Factor Specificity of a Ferredoxin Reductase BphA4 To be Published
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3AM2
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![BU of 3am2 by Molmil](/molmil-images/mine/3am2) | Clostridium perfringens enterotoxin | Descriptor: | GLYCEROL, Heat-labile enterotoxin B chain, UNKNOWN ATOM OR ION | Authors: | Kitadokoro, K, Nishimura, K, Kamitani, S, Kimura, J, Fukui, A, Abe, H, Horiguchi, Y. | Deposit date: | 2010-08-12 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Crystal Structure of Clostridium perfringens Enterotoxin Displays Features of {beta}-Pore-forming Toxins J.Biol.Chem., 286, 2011
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4HAL
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![BU of 4hal by Molmil](/molmil-images/mine/4hal) | Multicopper Oxidase CueO mutant E506I | Descriptor: | ACETATE ION, Blue copper oxidase CueO, COPPER (II) ION, ... | Authors: | Komori, H, Kataoka, K, Sakurai, T, Higuchi, Y. | Deposit date: | 2012-09-26 | Release date: | 2013-10-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Multicopper Oxidase CueO mutant E506I TO BE PUBLISHED
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3VWN
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![BU of 3vwn by Molmil](/molmil-images/mine/3vwn) | Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187G/H266N/D370Y mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ... | Authors: | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | Deposit date: | 2012-08-30 | Release date: | 2013-10-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction To be Published
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3RI0
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![BU of 3ri0 by Molmil](/molmil-images/mine/3ri0) | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | Descriptor: | BB_2cx5_001, GLYCEROL, SULFATE ION | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | Deposit date: | 2011-04-12 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope. J.Mol.Biol., 415, 2012
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2DJK
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![BU of 2djk by Molmil](/molmil-images/mine/2djk) | |
3RIJ
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![BU of 3rij by Molmil](/molmil-images/mine/3rij) | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | Descriptor: | GLYCEROL, SC_2cx5 | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | Deposit date: | 2011-04-13 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope. J.Mol.Biol., 415, 2012
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1JD2
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![BU of 1jd2 by Molmil](/molmil-images/mine/1jd2) | Crystal Structure of the yeast 20S Proteasome:TMC-95A complex: A non-covalent Proteasome Inhibitor | Descriptor: | MAGNESIUM ION, PROTEASOME COMPONENT C1, PROTEASOME COMPONENT C11, ... | Authors: | Groll, M, Koguchi, Y, Huber, R, Kohno, J. | Deposit date: | 2001-06-12 | Release date: | 2002-02-13 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the 20 S proteasome:TMC-95A complex: a non-covalent proteasome inhibitor. J.Mol.Biol., 311, 2001
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3P1S
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![BU of 3p1s by Molmil](/molmil-images/mine/3p1s) | Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 peptide and stabilizer fusicoccin A | Descriptor: | 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CHLORIDE ION, ... | Authors: | Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C. | Deposit date: | 2010-09-30 | Release date: | 2011-10-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface Chem. Biol., 20, 2013
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