2QEL
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2R59
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![BU of 2r59 by Molmil](/molmil-images/mine/2r59) | Leukotriene A4 hydrolase complexed with inhibitor RB3041 | Descriptor: | ACETIC ACID, Leukotriene A-4 hydrolase, N-{(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine, ... | Authors: | Tholander, F, Haeggstrom, J.Z, Thunnissen, M, Muroya, A, Roques, B.P, Fournie-Zaluski, M.C. | Deposit date: | 2007-09-03 | Release date: | 2008-08-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design. Chem.Biol., 15, 2008
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2LF7
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2ZAL
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![BU of 2zal by Molmil](/molmil-images/mine/2zal) | Crystal structure of E. coli isoaspartyl aminopeptidase/L-asparaginase in complex with L-aspartate | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ASPARTIC ACID, CALCIUM ION, ... | Authors: | Michalska, K, Brzezinski, K, Jaskolski, M. | Deposit date: | 2007-10-07 | Release date: | 2007-10-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of isoaspartyl aminopeptidase in complex with L-aspartate J.Biol.Chem., 280, 2005
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2YN7
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![BU of 2yn7 by Molmil](/molmil-images/mine/2yn7) | Crystal structure of an outer surface protein BBA66 from Borrelia burgdorferi | Descriptor: | OUTER SURFACE PROTEIN | Authors: | Brangulis, K, Petrovskis, I, Kazaks, A, Ranka, R, Baumanis, V, Tars, K. | Deposit date: | 2012-10-12 | Release date: | 2013-10-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure of the Infectious Phenotype-Associated Outer Surface Protein Bba66 from the Lyme Disease Agent Borrelia Burgdorferi. Ticks Tick Borne Dis., 5, 2014
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2Y6J
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![BU of 2y6j by Molmil](/molmil-images/mine/2y6j) | X-2 engineered mutated CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase | Descriptor: | CALCIUM ION, XYLANASE | Authors: | von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M. | Deposit date: | 2011-01-24 | Release date: | 2012-03-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules. Glycobiology, 22, 2012
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2YDD
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![BU of 2ydd by Molmil](/molmil-images/mine/2ydd) | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, soaked with 2',3'-cyclic AMP | Descriptor: | 2', 3'-CYCLIC NUCLEOTIDE 3'-PHOSPHODIESTERASE, ADENOSINE-2'-MONOPHOSPHATE | Authors: | Myllykoski, M, Kursula, P. | Deposit date: | 2011-03-18 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Myelin 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase: Active- Site Ligand Binding and Molecular Conformation. Plos One, 7, 2012
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8P1E
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![BU of 8p1e by Molmil](/molmil-images/mine/8p1e) | X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001613. | Descriptor: | 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ... | Authors: | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | Deposit date: | 2023-05-11 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins To Be Published
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3BCD
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![BU of 3bcd by Molmil](/molmil-images/mine/3bcd) | Alpha-amylase B in complex with maltotetraose and alpha-cyclodextrin | Descriptor: | Alpha amylase, catalytic region, CALCIUM ION, ... | Authors: | Tan, T.-C, Mijts, B.N, Swaminathan, K, Patel, B.K.C, Divne, C. | Deposit date: | 2007-11-12 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the Polyextremophilic alpha-Amylase AmyB from Halothermothrix orenii: Details of a Productive Enzyme-Substrate Complex and an N Domain with a Role in Binding Raw Starch J.Mol.Biol., 378, 2008
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2YKM
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![BU of 2ykm by Molmil](/molmil-images/mine/2ykm) | Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a Difluoromethylbenzoxazole (DFMB) Pyrimidine Thioether derivative, a non-nucleoside RT inhibitor (NNRTI) | Descriptor: | 2-[DIFLUORO-[(4-METHYL-PYRIMIDINYL)-THIO]METHYL]-BENZOXAZOLE, CALCIUM ION, REVERSE TRANSCRIPTASE/RIBONUCLEASE H | Authors: | Boyer, J, Arnoult, E, Medebielle, M, Guillemont, J, Unge, T, Unge, J, Jochmans, D. | Deposit date: | 2011-05-28 | Release date: | 2011-08-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Difluoromethylbenzoxazole Pyrimidine Thioether Derivatives: A Novel Class of Potent Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors. J.Med.Chem., 54, 2011
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8QKA
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![BU of 8qka by Molmil](/molmil-images/mine/8qka) | Structure of K. pneumoniae LpxH in complex with JEDI-852 | Descriptor: | 2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2023-09-14 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria. Proc.Natl.Acad.Sci.USA, 121, 2024
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3B7R
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![BU of 3b7r by Molmil](/molmil-images/mine/3b7r) | Leukotriene A4 Hydrolase Complexed with Inhibitor RB3040 | Descriptor: | IMIDAZOLE, Leukotriene A-4 hydrolase, N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE, ... | Authors: | Tholander, F, Haeggstrom, J, Thunnissen, M, Muroya, A, Roques, B.-P, Fournie-Zaluski, M.-C. | Deposit date: | 2007-10-31 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.811 Å) | Cite: | Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design. Chem.Biol., 15, 2008
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3BG7
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3CBJ
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![BU of 3cbj by Molmil](/molmil-images/mine/3cbj) | Chagasin-Cathepsin B complex | Descriptor: | Cathepsin B, Chagasin, PHOSPHATE ION | Authors: | Redzynia, I, Bujacz, G.D, Abrahamson, M, Ljunggren, A, Jaskolski, M, Mort, J.S. | Deposit date: | 2008-02-22 | Release date: | 2008-05-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Displacement of the occluding loop by the parasite protein, chagasin, results in efficient inhibition of human cathepsin B. J.Biol.Chem., 283, 2008
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8P22
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![BU of 8p22 by Molmil](/molmil-images/mine/8p22) | X-ray structure of acetylcholine-binding protein (AChBP) in complex with IOTA376. | Descriptor: | 2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine, Acetylcholine-binding protein, GLYCEROL, ... | Authors: | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | Deposit date: | 2023-05-14 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins To Be Published
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8QK9
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![BU of 8qk9 by Molmil](/molmil-images/mine/8qk9) | Structure of E. coli LpxH in complex with JEDI-1444 | Descriptor: | 2-[methyl(methylsulfonyl)amino]-~{N}-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2023-09-14 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria. Proc.Natl.Acad.Sci.USA, 121, 2024
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3BLJ
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![BU of 3blj by Molmil](/molmil-images/mine/3blj) | Crystal structure of human poly(ADP-ribose) polymerase 15, catalytic fragment | Descriptor: | CHLORIDE ION, GLYCEROL, Poly(ADP-ribose) polymerase 15, ... | Authors: | Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC) | Deposit date: | 2007-12-11 | Release date: | 2007-12-25 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for Lack of ADP-ribosyltransferase Activity in Poly(ADP-ribose) Polymerase-13/Zinc Finger Antiviral Protein. J.Biol.Chem., 290, 2015
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3BC9
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![BU of 3bc9 by Molmil](/molmil-images/mine/3bc9) | Alpha-amylase B in complex with acarbose | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Tan, T.-C, Mijts, B.N, Swaminathan, K, Patel, B.K.C, Divne, C. | Deposit date: | 2007-11-12 | Release date: | 2008-04-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal Structure of the Polyextremophilic alpha-Amylase AmyB from Halothermothrix orenii: Details of a Productive Enzyme-Substrate Complex and an N Domain with a Role in Binding Raw Starch J.Mol.Biol., 378, 2008
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8QEF
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![BU of 8qef by Molmil](/molmil-images/mine/8qef) | A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola ATCC 8482 bound to novel ligand. | Descriptor: | 1,2-ETHANEDIOL, Putative acetyl xylan esterase, beta-D-galactopyranuronic acid | Authors: | Banerjee, S, Poulsen, J.N, Mazurkewich, S, Seveso, A, Larsbrink, J, Lo Leggio, L. | Deposit date: | 2023-08-31 | Release date: | 2023-12-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds. Appl.Environ.Microbiol., 90, 2024
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3C5T
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8R2J
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3C59
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3BYD
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![BU of 3byd by Molmil](/molmil-images/mine/3byd) | Crystal structure of beta-lactamase OXY-1-1 from Klebsiella oxytoca | Descriptor: | ACETATE ION, Beta-lactamase OXY-1, SULFATE ION | Authors: | Liang, Y.-H, Wu, S.W, Su, X.-D. | Deposit date: | 2008-01-15 | Release date: | 2009-01-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural insights into the broadened substrate profile of the extended-spectrum beta-lactamase OXY-1-1 from Klebsiella oxytoca Acta Crystallogr.,Sect.D, 68, 2012
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3C9N
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![BU of 3c9n by Molmil](/molmil-images/mine/3c9n) | Crystal Structure of a SARS Corona Virus Derived Peptide Bound to the Human Major Histocompatibility Complex Class I molecule HLA-B*1501 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Roder, G.A, Kristensen, O, Kastrup, J.S, Buus, S, Gajhede, M. | Deposit date: | 2008-02-18 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure of a SARS coronavirus-derived peptide bound to the human major histocompatibility complex class I molecule HLA-B*1501. ACTA CRYSTALLOGR.,SECT.F, 64, 2008
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3CBK
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![BU of 3cbk by Molmil](/molmil-images/mine/3cbk) | chagasin-cathepsin B | Descriptor: | Cathepsin B, Chagasin | Authors: | Redzynia, I, Bujacz, G.D, Abrahamson, M, Ljunggren, A, Jaskolski, M, Mort, J.S. | Deposit date: | 2008-02-22 | Release date: | 2008-05-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Displacement of the occluding loop by the parasite protein, chagasin, results in efficient inhibition of human cathepsin B. J.Biol.Chem., 283, 2008
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