1NGC
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![BU of 1ngc by Molmil](/molmil-images/mine/1ngc) | STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT-SHOCK COGNATE 70 kD PROTEIN, MAGNESIUM ION, ... | Authors: | Flaherty, K.M, Wilbanks, S.M, Deluca-Flaherty, C, Mckay, D.B. | Deposit date: | 1994-05-17 | Release date: | 1994-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of the 70-kilodalton heat shock cognate protein ATP hydrolytic activity. II. Structure of the active site with ADP or ATP bound to wild type and mutant ATPase fragment. J.Biol.Chem., 269, 1994
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2BFD
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![BU of 2bfd by Molmil](/molmil-images/mine/2bfd) | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, ... | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | Deposit date: | 2004-12-06 | Release date: | 2006-02-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
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1NGI
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![BU of 1ngi by Molmil](/molmil-images/mine/1ngi) | STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT | Descriptor: | CALCIUM ION, HEAT-SHOCK COGNATE 70 kD PROTEIN, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Flaherty, K.M, Wilbanks, S.M, Deluca-Flaherty, C, Mckay, D.B. | Deposit date: | 1994-05-17 | Release date: | 1994-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis of the 70-kilodalton heat shock cognate protein ATP hydrolytic activity. II. Structure of the active site with ADP or ATP bound to wild type and mutant ATPase fragment. J.Biol.Chem., 269, 1994
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5OUU
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![BU of 5ouu by Molmil](/molmil-images/mine/5ouu) | The crystal structure of CK2alpha in complex with compound 22 | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-25 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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2BQM
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1WWR
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![BU of 1wwr by Molmil](/molmil-images/mine/1wwr) | Crystal structure of tRNA adenosine deaminase TadA from Aquifex aeolicus | Descriptor: | ZINC ION, tRNA adenosine deaminase TadA | Authors: | Kuratani, M, Ishii, R, Bessho, Y, Fukunaga, R, Sengoku, T, Sekine, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-01-12 | Release date: | 2005-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of tRNA Adenosine Deaminase (TadA) from Aquifex aeolicus J.Biol.Chem., 280, 2005
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4BO4
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![BU of 4bo4 by Molmil](/molmil-images/mine/4bo4) | Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(2-methoxyphenyl)-3,4- dihydro-2H-quinoline-1-carboxamide at 2.7A resolution | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-18 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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2BQE
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![BU of 2bqe by Molmil](/molmil-images/mine/2bqe) | |
4BNU
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![BU of 4bnu by Molmil](/molmil-images/mine/4bnu) | Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2-phenyl-4-(1,2,4- triazol-4-yl)quinazoline at 2.0A resolution | Descriptor: | 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-17 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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2BQO
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![BU of 2bqo by Molmil](/molmil-images/mine/2bqo) | |
1NGF
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![BU of 1ngf by Molmil](/molmil-images/mine/1ngf) | STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, HEAT-SHOCK COGNATE 70 kD PROTEIN | Authors: | Flaherty, K.M, Wilbanks, S.M, Deluca-Flaherty, C, Mckay, D.B. | Deposit date: | 1994-05-17 | Release date: | 1994-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structural basis of the 70-kilodalton heat shock cognate protein ATP hydrolytic activity. II. Structure of the active site with ADP or ATP bound to wild type and mutant ATPase fragment. J.Biol.Chem., 269, 1994
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2BQH
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![BU of 2bqh by Molmil](/molmil-images/mine/2bqh) | |
4G07
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![BU of 4g07 by Molmil](/molmil-images/mine/4g07) | |
4BO1
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![BU of 4bo1 by Molmil](/molmil-images/mine/4bo1) | Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(4-chloro-2,5- dimethoxyphenyl)quinoline-8-carboxamide at 2.2A resolution | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, N-(4-CHLORO-2,5-DIMETHOXYPHENYL)QUINOLINE-8-CARBOXAMIDE | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-18 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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2BQK
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3VRA
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![BU of 3vra by Molmil](/molmil-images/mine/3vra) | Mitochondrial rhodoquinol-fumarate reductase from the parasitic nematode Ascaris suum with the specific inhibitor Atpenin A5 | Descriptor: | 3-[(2S,4S,5R)-5,6-DICHLORO-2,4-DIMETHYL-1-OXOHEXYL]-4-HYDROXY-5,6-DIMETHOXY-2(1H)-PYRIDINONE, Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Shimizu, H, Shiba, T, Inaoka, D.K, Osanai, A, Kita, K, Sakamoto, K, Harada, S. | Deposit date: | 2012-04-07 | Release date: | 2013-04-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.44 Å) | Cite: | Crystal structure of mitochondrial quinol-fumarate reductase from parasitic nematode Ascaris suum To be Published
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2BQF
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![BU of 2bqf by Molmil](/molmil-images/mine/2bqf) | |
5OW2
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![BU of 5ow2 by Molmil](/molmil-images/mine/5ow2) | Japanese encephalitis virus capsid protein | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, capsid protein | Authors: | Poonsiri, T, Wright, G.S.A, Antonyuk, S.V. | Deposit date: | 2017-08-30 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal Structure of the Japanese Encephalitis Virus Capsid Protein. Viruses, 11, 2019
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3VD7
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![BU of 3vd7 by Molmil](/molmil-images/mine/3vd7) | E. coli (lacZ) beta-galactosidase (N460S) in complex with galactotetrazole | Descriptor: | (5R, 6S, 7S, ... | Authors: | Wheatley, R.W, Kappelhoff, J.C, Hahn, J.N, Dugdale, M.L, Dutkoski, M.J, Tamman, S.D, Fraser, M.E, Huber, R.E. | Deposit date: | 2012-01-04 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Substitution for Asn460 cripples {beta}-galactosidase (Escherichia coli) by increasing substrate affinity and decreasing transition state stability. Arch.Biochem.Biophys., 521, 2012
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1NGB
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![BU of 1ngb by Molmil](/molmil-images/mine/1ngb) | STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT-SHOCK COGNATE 70 kD PROTEIN, MAGNESIUM ION, ... | Authors: | Flaherty, K.M, Wilbanks, S.M, Deluca-Flaherty, C, Mckay, D.B. | Deposit date: | 1994-05-17 | Release date: | 1994-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural basis of the 70-kilodalton heat shock cognate protein ATP hydrolytic activity. II. Structure of the active site with ADP or ATP bound to wild type and mutant ATPase fragment. J.Biol.Chem., 269, 1994
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2BQG
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5OT5
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![BU of 5ot5 by Molmil](/molmil-images/mine/5ot5) | The crystal structure of CK2alpha in complex with compound 24 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-21 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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2BQN
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5OTD
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![BU of 5otd by Molmil](/molmil-images/mine/5otd) | The crystal structure of CK2alpha in complex with compound 25 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-21 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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3VDB
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![BU of 3vdb by Molmil](/molmil-images/mine/3vdb) | E. coli (lacZ) beta-galactosidase (N460T) in complex with galactonolactone | Descriptor: | Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ... | Authors: | Wheatley, R.W, Kappelhoff, J.C, Hahn, J.N, Dugdale, M.L, Dutkoski, M.J, Tamman, S.D, Fraser, M.E, Huber, R.E. | Deposit date: | 2012-01-04 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Substitution for Asn460 cripples {beta}-galactosidase (Escherichia coli) by increasing substrate affinity and decreasing transition state stability. Arch.Biochem.Biophys., 521, 2012
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