1KTG
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![BU of 1ktg by Molmil](/molmil-images/mine/1ktg) | Crystal Structure of a C. elegans Ap4A Hydrolase Binary Complex | Descriptor: | ADENOSINE MONOPHOSPHATE, Diadenosine Tetraphosphate Hydrolase, HYDROXIDE ION, ... | Authors: | Bailey, S, Sedelnikova, S.E, Blackburn, G.M, Abdelghany, H.M, Baker, P.J, McLennan, A.G, Rafferty, J.B. | Deposit date: | 2002-01-16 | Release date: | 2002-05-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of diadenosine tetraphosphate hydrolase from Caenorhabditis elegans in free and binary complex forms Structure, 10, 2002
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2AIO
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![BU of 2aio by Molmil](/molmil-images/mine/2aio) | Metallo beta lactamase L1 from Stenotrophomonas maltophilia complexed with hydrolyzed moxalactam | Descriptor: | (2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO XYLIC ACID, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Spencer, J, Read, J, Sessions, R.B, Howell, S, Blackburn, G.M, Gamblin, S.J. | Deposit date: | 2005-07-30 | Release date: | 2005-10-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Antibiotic Recognition by Binuclear Metallo-beta-Lactamases Revealed by X-ray Crystallography J.Am.Chem.Soc., 127, 2005
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1FHI
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![BU of 1fhi by Molmil](/molmil-images/mine/1fhi) | SUBSTRATE ANALOG (IB2) COMPLEX WITH THE FRAGILE HISTIDINE TRIAD PROTEIN, FHIT | Descriptor: | FRAGILE HISTIDINE TRIAD PROTEIN, P1-P2-METHYLENE-P3-THIO-DIADENOSINE TRIPHOSPHATE | Authors: | Pace, H.C, Garrison, P.N, Barnes, L.D, Draganescu, A, Rosler, A, Blackburn, G.M, Siprashvili, Z, Croce, C.M, Huebner, K, Brenner, C. | Deposit date: | 1997-12-11 | Release date: | 1998-06-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Genetic, biochemical, and crystallographic characterization of Fhit-substrate complexes as the active signaling form of Fhit. Proc.Natl.Acad.Sci.USA, 95, 1998
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1EMH
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![BU of 1emh by Molmil](/molmil-images/mine/1emh) | CRYSTAL STRUCTURE OF HUMAN URACIL-DNA GLYCOSYLASE BOUND TO UNCLEAVED SUBSTRATE-CONTAINING DNA | Descriptor: | DNA (5'-D(*AP*AP*AP*GP*AP*TP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*(P2U)P*AP*TP*CP*TP*T)-3'), URACIL-DNA GLYCOSYLASE | Authors: | Parikh, S.S, Slupphaug, G, Krokan, H.E, Blackburn, G.M, Tainer, J.A. | Deposit date: | 2000-03-16 | Release date: | 2000-05-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Uracil-DNA glycosylase-DNA substrate and product structures: conformational strain promotes catalytic efficiency by coupled stereoelectronic effects. Proc.Natl.Acad.Sci.USA, 97, 2000
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1EMJ
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![BU of 1emj by Molmil](/molmil-images/mine/1emj) | URACIL-DNA GLYCOSYLASE BOUND TO DNA CONTAINING A 4'-THIO-2'DEOXYURIDINE ANALOG PRODUCT | Descriptor: | DNA (5'-D(*AP*AP*AP*GP*AP*TP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*(ASU)P*AP*TP*CP*TP*T)-3'), URACIL, ... | Authors: | Parikh, S.S, Walcher, G, Jones, G.D, Slupphaug, G, Krokan, H.E, Blackburn, G.M, Tainer, J.A. | Deposit date: | 2000-03-16 | Release date: | 2000-05-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Uracil-DNA glycosylase-DNA substrate and product structures: conformational strain promotes catalytic efficiency by coupled stereoelectronic effects. Proc.Natl.Acad.Sci.USA, 97, 2000
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1MIE
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![BU of 1mie by Molmil](/molmil-images/mine/1mie) | Crystal Structure Of The Fab Fragment of Esterolytic Antibody MS5-393 | Descriptor: | IMMUNOGLOBULIN MS5-393 | Authors: | Ruzheinikov, S.N, Muranova, T.A, Sedelnikova, S.E, Partridge, L.J, Blackburn, G.M, Murray, I.A, Kakinuma, H, Takashi, N, Shimazaki, K, Sun, J, Nishi, Y, Rice, D.W. | Deposit date: | 2002-08-23 | Release date: | 2003-09-23 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | High-resolution crystal structure of the Fab-fragments of a family of mouse catalytic antibodies with esterase activity J.Mol.Biol., 332, 2003
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1MJJ
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![BU of 1mjj by Molmil](/molmil-images/mine/1mjj) | HIGH RESOLUTION CRYSTAL STRUCTURE OF THE COMPLEX OF THE FAB FRAGMENT OF ESTEROLYTIC ANTIBODY MS6-12 AND A TRANSITION-STATE ANALOG | Descriptor: | IMMUNOGLOBULIN MS6-12, N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE, SULFATE ION | Authors: | Ruzheinikov, S.N, Muranova, T.A, Sedelnikova, S.E, Partridge, L.J, Blackburn, G.M, Murray, I.A, Kakinuma, H, Takashi, N, Shimazaki, K, Sun, J, Nishi, Y, Rice, D.W. | Deposit date: | 2002-08-28 | Release date: | 2003-09-23 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | High-resolution crystal structure of the Fab-fragments of a family of mouse catalytic antibodies with esterase activity J.Mol.Biol., 332, 2003
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1MH5
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![BU of 1mh5 by Molmil](/molmil-images/mine/1mh5) | The Structure Of The Complex Of The Fab Fragment Of The Esterolytic Antibody MS6-164 and A Transition-State Analog | Descriptor: | IMMUNOGLOBULIN MS6-164, N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE, SULFATE ION | Authors: | Ruzheinikov, S.N, Muranova, T.A, Sedelnikova, S.E, Partridge, L.J, Blackburn, G.M, Murray, I.A, Kakinuma, H, Takashi, N, Shimazaki, K, Sun, J, Nishi, Y, Rice, D.W. | Deposit date: | 2002-08-19 | Release date: | 2003-09-23 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | High-resolution crystal structure of the Fab-fragments of a family of mouse catalytic antibodies with esterase activity J.Mol.Biol., 332, 2003
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1MJ8
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![BU of 1mj8 by Molmil](/molmil-images/mine/1mj8) | High Resolution Crystal Structure Of The Fab Fragment of The Esterolytic Antibody MS6-126 | Descriptor: | GLYCEROL, IMMUNOGLOBULIN MS6-126, PHOSPHATE ION | Authors: | Ruzheinikov, S.N, Muranova, T.A, Sedelnikova, S.E, Partridge, L.J, Blackburn, G.M, Murray, I.A, Kakinuma, H, Takashi, N, Shimazaki, K, Sun, J, Nishi, Y, Rice, D.W. | Deposit date: | 2002-08-27 | Release date: | 2003-09-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | High-resolution crystal structure of the Fab-fragments of a family of mouse catalytic antibodies with esterase activity J.Mol.Biol., 332, 2003
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1MJU
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![BU of 1mju by Molmil](/molmil-images/mine/1mju) | 1.22 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE FAB FRAGMENT OF ESTEROLYTIC ANTIBODY MS6-12 | Descriptor: | GLYCEROL, IMMUNOGLOBULIN MS6-12 | Authors: | Ruzheinikov, S.N, Muranova, T.A, Sedelnikova, S.E, Partridge, L.J, Blackburn, G.M, Murray, I.A, Kakinuma, H, Takashi, N, Shimazaki, K, Sun, J, Nishi, Y, Rice, D.W. | Deposit date: | 2002-08-28 | Release date: | 2003-09-23 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | High-resolution crystal structure of the Fab-fragments of a family of mouse catalytic antibodies with esterase activity J.Mol.Biol., 332, 2003
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1KT9
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![BU of 1kt9 by Molmil](/molmil-images/mine/1kt9) | Crystal Structure of C. elegans Ap4A Hydrolase | Descriptor: | Diadenosine Tetraphosphate Hydrolase | Authors: | Bailey, S, Sedelnikova, S.E, Blackburn, G.M, Abdelghany, H.M, Baker, P.J, McLennan, A.G, Rafferty, J.B. | Deposit date: | 2002-01-15 | Release date: | 2002-05-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The crystal structure of diadenosine tetraphosphate hydrolase from Caenorhabditis elegans in free and binary complex forms Structure, 10, 2002
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1MJ7
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![BU of 1mj7 by Molmil](/molmil-images/mine/1mj7) | Crystal Structure Of The Complex Of The Fab fragment of Esterolytic Antibody MS5-393 and A Transition-State Analog | Descriptor: | IMMUNOGLOBULIN MS5-393, N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE | Authors: | Ruzheinikov, S.N, Muranova, T.A, Sedelnikova, S.E, Partridge, L.J, Blackburn, G.M, Murray, I.A, Kakinuma, H, Takashi, N, Shimazaki, K, Sun, J, Nishi, Y, Rice, D.W. | Deposit date: | 2002-08-27 | Release date: | 2003-09-23 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | High-resolution crystal structure of the Fab-fragments of a family of mouse catalytic antibodies with esterase activity J.Mol.Biol., 332, 2003
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1O9S
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![BU of 1o9s by Molmil](/molmil-images/mine/1o9s) | Crystal structure of a ternary complex of the human histone methyltransferase SET7/9 | Descriptor: | GENE FRAGMENT FOR HISTONE H3, HISTONE-LYSINE N-METHYLTRANSFERASE, H3 LYSINE-4 SPECIFIC, ... | Authors: | Xiao, B, Jing, C, Wilson, J.R, Walker, P.A, Vasisht, N, Kelly, G, Howell, S, Taylor, I.A, Blackburn, G.M, Gamblin, S.J. | Deposit date: | 2002-12-18 | Release date: | 2003-02-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and Catalytic Mechanism of the Human Histone Methyltransferase Set7/9 Nature, 421, 2003
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1F3Y
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![BU of 1f3y by Molmil](/molmil-images/mine/1f3y) | SOLUTION STRUCTURE OF THE NUDIX ENZYME DIADENOSINE TETRAPHOSPHATE HYDROLASE FROM LUPINUS ANGUSTIFOLIUS L. | Descriptor: | DIADENOSINE 5',5'''-P1,P4-TETRAPHOSPHATE HYDROLASE | Authors: | Swarbrick, J.D, Bashtannyk, T, Maksel, D, Zhang, X.R, Blackburn, G.M, Gayler, K.R, Gooley, P.R. | Deposit date: | 2000-06-06 | Release date: | 2001-06-06 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The three-dimensional structure of the Nudix enzyme diadenosine tetraphosphate hydrolase from Lupinus angustifolius L. J.Mol.Biol., 302, 2000
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1H3I
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![BU of 1h3i by Molmil](/molmil-images/mine/1h3i) | Crystal structure of the Histone Methyltransferase SET7/9 | Descriptor: | HISTONE H3 LYSINE 4 SPECIFIC METHYLTRANSFERASE, MAGNESIUM ION | Authors: | Wilson, J.R, Jing, C, Walker, P.A, Martin, S.R, Howell, S.A, Blackburn, G.M, Gamblin, S.J, Xiao, B. | Deposit date: | 2002-09-04 | Release date: | 2002-11-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure and Functional Analysis of the Histone Methyltransferase Set7/9 Cell(Cambridge,Mass.), 111, 2002
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1J98
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![BU of 1j98 by Molmil](/molmil-images/mine/1j98) | The 1.2 Angstrom Structure of Bacillus subtilis LuxS | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, ZINC ION | Authors: | Ruzheinikov, S.N, Das, S.K, Sedelnikova, S.E, Hartley, A, Foster, S.J, Horsburgh, M.J, Cox, A.G, McCleod, C.W, Mekhalfia, A, Blackburn, G.M, Rice, D.W, Baker, P.J. | Deposit date: | 2001-05-24 | Release date: | 2001-06-06 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The 1.2 A Structure of a Novel Quorum-Sensing Protein, Bacillus subtilis LuxS J.Mol.Biol., 313, 2001
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1JQW
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![BU of 1jqw by Molmil](/molmil-images/mine/1jqw) | THE 2.3 ANGSTROM RESOLUTION STRUCTURE OF BACILLUS SUBTILIS LUXS/HOMOCYSTEINE COMPLEX | Descriptor: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Autoinducer-2 production protein luxS, ZINC ION | Authors: | Ruzheinikov, S.N, Das, S.K, Sedelnikova, S.E, Hartley, A, Foster, S.J, Horsburgh, M.J, Cox, A.G, McCleod, C.W, Mekhalfia, A, Blackburn, G.M, Rice, D.W, Baker, P.J. | Deposit date: | 2001-08-09 | Release date: | 2001-10-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The 1.2 A structure of a novel quorum-sensing protein, Bacillus subtilis LuxS J.Mol.Biol., 313, 2001
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1JVI
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![BU of 1jvi by Molmil](/molmil-images/mine/1jvi) | THE 2.2 ANGSTROM RESOLUTION STRUCTURE OF BACILLUS SUBTILIS LUXS/RIBOSILHOMOCYSTEINE COMPLEX | Descriptor: | (2S)-2-amino-4-[[(2S,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid, 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Autoinducer-2 production protein luxS, ... | Authors: | Ruzheinikov, S.N, Das, S.K, Sedelnikova, S.E, Hartley, A, Foster, S.J, Horsburgh, M.J, Cox, A.G, McCleod, C.W, Mekhalfia, A, Blackburn, G.M, Rice, D.W, Baker, P.J. | Deposit date: | 2001-08-30 | Release date: | 2001-10-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The 1.2 A structure of a novel quorum-sensing protein, Bacillus subtilis LuxS J.Mol.Biol., 313, 2001
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2FHI
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![BU of 2fhi by Molmil](/molmil-images/mine/2fhi) | SUBSTRATE ANALOG (IB2) COMPLEX WITH THE HIS 96 ASN SUBSTITUTION OF THE FRAGILE HISTIDINE TRIAD PROTEIN, FHIT | Descriptor: | FRAGILE HISTIDINE TRIAD PROTEIN, P1-P2-METHYLENE-P3-THIO-DIADENOSINE TRIPHOSPHATE | Authors: | Pace, H.C, Garrison, P.N, Robinson, A.K, Barnes, L.D, Draganescu, A, Rosler, A, Blackburn, G.M, Siprashvili, Z, Croce, C.M, Heubner, K, Brenner, C. | Deposit date: | 1998-04-01 | Release date: | 1998-06-17 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Genetic, biochemical, and crystallographic characterization of Fhit-substrate complexes as the active signaling form of Fhit. Proc.Natl.Acad.Sci.USA, 95, 1998
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2XE6
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![BU of 2xe6 by Molmil](/molmil-images/mine/2xe6) | The complete reaction cycle of human phosphoglycerate kinase: The open binary complex with 3PG | Descriptor: | 3-PHOSPHOGLYCERIC ACID, PHOSPHOGLYCERATE KINASE 1 | Authors: | Cliff, M.J, Baxter, N.J, Blackburn, G.M, Merli, A, Vas, M, Waltho, J.P, Bowler, M.W. | Deposit date: | 2010-05-11 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | A Spring Loaded Release Mechanism Regulates Domain Movement and Catalysis in Phosphoglycerate Kinase. J.Biol.Chem., 286, 2011
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2XE8
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![BU of 2xe8 by Molmil](/molmil-images/mine/2xe8) | The complete reaction cycle of human phosphoglycerate kinase: The open ternary complex with 3PG and AMP-PNP | Descriptor: | 3-PHOSPHOGLYCERIC ACID, PHOSPHOGLYCERATE KINASE 1, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Cliff, M.J, Baxter, N.J, Blackburn, G.M, Merli, A, Vas, M, Waltho, J.P, Bowler, M.W. | Deposit date: | 2010-05-11 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | A Spring Loaded Release Mechanism Regulates Domain Movement and Catalysis in Phosphoglycerate Kinase. J.Biol.Chem., 286, 2011
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2XE7
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![BU of 2xe7 by Molmil](/molmil-images/mine/2xe7) | The complete reaction cycle of human phosphoglycerate kinase: The open ternary complex with 3PG and ADP | Descriptor: | 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, PHOSPHOGLYCERATE KINASE 1 | Authors: | Cliff, M.J, Baxter, N.J, Blackburn, G.M, Merli, A, Vas, M, Waltho, J.P, Bowler, M.W. | Deposit date: | 2010-05-11 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Spring Loaded Release Mechanism Regulates Domain Movement and Catalysis in Phosphoglycerate Kinase. J.Biol.Chem., 286, 2011
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2EU2
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![BU of 2eu2 by Molmil](/molmil-images/mine/2eu2) | Human Carbonic Anhydrase II in complex with novel inhibitors | Descriptor: | (R)-1-AMINO-1-[5-(DIMETHYLAMINO)-1,3,4-THIADIAZOL-2-YL]METHANESULFONAMIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Fisher, S.Z, Govindasamy, L, Boyle, N, Agbandje-McKenna, M, Silverman, D.N, Blackburn, G.M, McKenna, R. | Deposit date: | 2005-10-28 | Release date: | 2006-07-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | X-ray crystallographic studies reveal that the incorporation of spacer groups in carbonic anhydrase inhibitors causes alternate binding modes. Acta Crystallogr.,Sect.F, 62, 2006
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2EU3
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![BU of 2eu3 by Molmil](/molmil-images/mine/2eu3) | Human Carbonic anhydrase II in complex with novel inhibitors | Descriptor: | 1-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1,1-DIFLUOROMETHANESULFONAMIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Fisher, S.Z, Govindasamy, L, Boyle, N, Agbandje-McKenna, M, Silverman, D.N, Blackburn, G.M, McKenna, R. | Deposit date: | 2005-10-28 | Release date: | 2006-07-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray crystallographic studies reveal that the incorporation of spacer groups in carbonic anhydrase inhibitors causes alternate binding modes. Acta Crystallogr.,Sect.F, 62, 2006
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2HT8
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![BU of 2ht8 by Molmil](/molmil-images/mine/2ht8) | N8 neuraminidase in complex with oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase | Authors: | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2006-07-25 | Release date: | 2006-09-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
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