4ZDK
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![BU of 4zdk by Molmil](/molmil-images/mine/4zdk) | Crystal structure of the M. tuberculosis CTP synthase PyrG in complex with UTP, AMP-PCP and oxonorleucine | Descriptor: | 5-OXO-L-NORLEUCINE, CTP synthase, MAGNESIUM ION, ... | Authors: | Bellinzoni, M, Barilone, N, Alzari, P.M. | Deposit date: | 2015-04-17 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG. Chem.Biol., 22, 2015
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1DVR
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![BU of 1dvr by Molmil](/molmil-images/mine/1dvr) | |
4K46
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![BU of 4k46 by Molmil](/molmil-images/mine/4k46) | Crystal Structure of Adenylate Kinase from Photobacterium profundum | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, ... | Authors: | Cho, Y.-J, Kerns, S.J, Kern, D. | Deposit date: | 2013-04-12 | Release date: | 2014-07-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Alike but Different: Adenylate kinases from E. Coli, Aquifex, and P. profundum To be Published
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3L9M
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![BU of 3l9m by Molmil](/molmil-images/mine/3l9m) | Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18 | Descriptor: | (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Huang, X. | Deposit date: | 2010-01-05 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Azole-based inhibitors of AKT/PKB for the treatment of cancer. Bioorg.Med.Chem.Lett., 20, 2010
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4Q4J
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![BU of 4q4j by Molmil](/molmil-images/mine/4q4j) | Structure of crosslinked TM287/288_S498C_S520C mutant | Descriptor: | ABC transporter, Uncharacterized ABC transporter ATP-binding protein TM_0288 | Authors: | Hohl, M, Schoeppe, J, Gruetter, M.G, Seeger, M.A. | Deposit date: | 2014-04-14 | Release date: | 2014-07-16 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for allosteric cross-talk between the asymmetric nucleotide binding sites of a heterodimeric ABC exporter. Proc.Natl.Acad.Sci.USA, 111, 2014
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4Q4D
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![BU of 4q4d by Molmil](/molmil-images/mine/4q4d) | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMP-PNP and synthetic 3,5-(PP)2-IP4 (3,5-IP8) | Descriptor: | (1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ... | Authors: | Wang, H, Shears, S.B. | Deposit date: | 2014-04-14 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Synthesis of Densely Phosphorylated Bis-1,5-Diphospho-myo-Inositol Tetrakisphosphate and its Enantiomer by Bidirectional P-Anhydride Formation. Angew.Chem.Int.Ed.Engl., 53, 2014
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4Q4H
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![BU of 4q4h by Molmil](/molmil-images/mine/4q4h) | TM287/288 in its apo state | Descriptor: | ABC transporter, Uncharacterized ABC transporter ATP-binding protein TM_0288 | Authors: | Hohl, M, Gruetter, M.G, Seeger, M.A. | Deposit date: | 2014-04-14 | Release date: | 2014-07-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.527 Å) | Cite: | Structural basis for allosteric cross-talk between the asymmetric nucleotide binding sites of a heterodimeric ABC exporter. Proc.Natl.Acad.Sci.USA, 111, 2014
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4TND
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5EE3
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![BU of 5ee3 by Molmil](/molmil-images/mine/5ee3) | COMPLEX STRUCTURE OF OSYCHF1 WITH AMP-PNP | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Li, X, Chen, Z. | Deposit date: | 2015-10-22 | Release date: | 2016-02-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | ATP binding by the P-loop NTPase OsYchF1 (an unconventional G protein) contributes to biotic but not abiotic stress responses Proc.Natl.Acad.Sci.USA, 113, 2016
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4FCB
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![BU of 4fcb by Molmil](/molmil-images/mine/4fcb) | Potent and Selective Phosphodiesterase 10A Inhibitors | Descriptor: | 3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline, MAGNESIUM ION, ZINC ION, ... | Authors: | Parris, K.D. | Deposit date: | 2012-05-24 | Release date: | 2012-09-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel triazines as potent and selective phosphodiesterase 10A inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4FCD
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![BU of 4fcd by Molmil](/molmil-images/mine/4fcd) | Potent and Selective Phosphodiesterase 10A Inhibitors | Descriptor: | 1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine, MAGNESIUM ION, ZINC ION, ... | Authors: | Parris, K.D. | Deposit date: | 2012-05-24 | Release date: | 2012-09-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Novel triazines as potent and selective phosphodiesterase 10A inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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5AGJ
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![BU of 5agj by Molmil](/molmil-images/mine/5agj) | Crystal structure of the LeuRS editing domain of Candida albicans in complex with the adduct AN2690-AMP | Descriptor: | POTENTIAL CYTOSOLIC LEUCYL TRNA SYNTHETASE, [(6-AMINO-9H-PURIN-9-YL)-[5-FLUORO-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROLE]-4'YL]METHYL DIHYDROGEN PHOSPHATE | Authors: | Zhao, H, Palencia, A, Seiradake, E, Ghaemi, Z, Luthey-Schulten, Z, Cusack, S, Martinis, S.A. | Deposit date: | 2015-02-02 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Analysis of the Resistance Mechanism of a Benzoxaborole Inhibitor Reveals Insight Into the Leucyl-tRNA Synthetase Editing Mechanism. Acs Chem.Biol., 10, 2015
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2PKM
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![BU of 2pkm by Molmil](/molmil-images/mine/2pkm) | Crystal structure of M tuberculosis Adenosine Kinase complexed with adenosine | Descriptor: | ADENOSINE, Adenosine kinase | Authors: | Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2007-04-17 | Release date: | 2007-06-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme J.Biol.Chem., 282, 2007
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5AGI
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![BU of 5agi by Molmil](/molmil-images/mine/5agi) | Crystal structure of the LeuRS editing domain of Candida albicans Mutant K510A in complex with the adduct formed by AN2690-AMP | Descriptor: | GLYCEROL, POTENTIAL CYTOSOLIC LEUCYL TRNA SYNTHETASE, [(6-AMINO-9H-PURIN-9-YL)-[5-FLUORO-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROLE]-4'YL]METHYL DIHYDROGEN PHOSPHATE | Authors: | Zhao, H, Palencia, A, Seiradake, E, Ghaemi, Z, Luthey-Schulten, Z, Cusack, S, Martinis, S.A. | Deposit date: | 2015-02-02 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Analysis of the Resistance Mechanism of a Benzoxaborole Inhibitor Reveals Insight Into the Leucyl-tRNA Synthetase Editing Mechanism. Acs Chem.Biol., 10, 2015
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2PKK
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![BU of 2pkk by Molmil](/molmil-images/mine/2pkk) | Crystal structure of M tuberculosis Adenosine Kinase complexed with 2-fluro adenosine | Descriptor: | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase | Authors: | Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2007-04-17 | Release date: | 2007-06-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme J.Biol.Chem., 282, 2007
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2PZB
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![BU of 2pzb by Molmil](/molmil-images/mine/2pzb) | NAD+ Synthetase from Bacillus anthracis | Descriptor: | NH(3)-dependent NAD(+) synthetase, SULFATE ION | Authors: | McDonald, H.M, Pruett, P.S, Deivanayagam, C, Protasevich, I.I, Carson, W.M, DeLucas, L.J, Brouillette, W.J, Brouillette, C.G. | Deposit date: | 2007-05-17 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural adaptation of an interacting non-native C-terminal helical extension revealed in the crystal structure of NAD(+) synthetase from Bacillus anthracis. Acta Crystallogr.,Sect.D, 63, 2007
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2PKF
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![BU of 2pkf by Molmil](/molmil-images/mine/2pkf) | Crystal structure of M tuberculosis Adenosine Kinase (apo) | Descriptor: | Adenosine kinase | Authors: | Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2007-04-17 | Release date: | 2007-06-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme J.Biol.Chem., 282, 2007
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5DGH
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1BK4
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![BU of 1bk4 by Molmil](/molmil-images/mine/1bk4) | CRYSTAL STRUCTURE OF RABBIT LIVER FRUCTOSE-1,6-BISPHOSPHATASE AT 2.3 ANGSTROM RESOLUTION | Descriptor: | MAGNESIUM ION, PROTEIN (FRUCTOSE-1,6-BISPHOSPHATASE), SULFATE ION | Authors: | Ghosh, D, Weeks, C.M, Erman, M, Roszak, A.W, Kaiser, R, Jornvall, H. | Deposit date: | 1998-07-14 | Release date: | 1998-07-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of rabbit liver fructose 1,6-bisphosphatase at 2.3 A resolution. Acta Crystallogr.,Sect.D, 55, 1999
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2A84
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![BU of 2a84 by Molmil](/molmil-images/mine/2a84) | Crystal structure of A Pantothenate synthetase complexed with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-07-07 | Release date: | 2006-02-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action. Biochemistry, 45, 2006
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1EFR
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![BU of 1efr by Molmil](/molmil-images/mine/1efr) | BOVINE MITOCHONDRIAL F1-ATPASE COMPLEXED WITH THE PEPTIDE ANTIBIOTIC EFRAPEPTIN | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BOVINE MITOCHONDRIAL F1-ATPASE SUBUNIT ALPHA, BOVINE MITOCHONDRIAL F1-ATPASE SUBUNIT BETA, ... | Authors: | Abrahams, J.P, Buchanan, S.K, Van Raaij, M.J, Fearnley, I.M, Leslie, A.G.W, Walker, J.E. | Deposit date: | 1996-05-24 | Release date: | 1997-02-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The Structure of Bovine F1-ATPase Complexed with the Peptide Antibiotic Efrapeptin. Proc.Natl.Acad.Sci.USA, 93, 1996
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1P4S
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![BU of 1p4s by Molmil](/molmil-images/mine/1p4s) | |
5IKO
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![BU of 5iko by Molmil](/molmil-images/mine/5iko) | Crystal structure of human brain glycogen phosphorylase | Descriptor: | Glycogen phosphorylase, brain form, HEXAETHYLENE GLYCOL, ... | Authors: | Mathieu, C, Li de la Sierra-Gallay, I, Xu, X, Haouz, A, Rodrigues-Lima, F. | Deposit date: | 2016-03-03 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights into Brain Glycogen Metabolism: THE STRUCTURE OF HUMAN BRAIN GLYCOGEN PHOSPHORYLASE. J.Biol.Chem., 291, 2016
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5K27
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![BU of 5k27 by Molmil](/molmil-images/mine/5k27) | Crystal structure of ancestral protein ancMT of ADP-dependent sugar kinases family. | Descriptor: | ADENOSINE MONOPHOSPHATE, IODIDE ION, ancMT | Authors: | Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V. | Deposit date: | 2016-05-18 | Release date: | 2017-05-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases. J. Biol. Chem., 292, 2017
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2EQA
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![BU of 2eqa by Molmil](/molmil-images/mine/2eqa) | Crystal Structure of the hypothetical Sua5 protein from Sulfolobus tokodaii | Descriptor: | ADENOSINE MONOPHOSPHATE, Hypothetical protein ST1526, MAGNESIUM ION | Authors: | Agari, Y, Shinkai, A, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-30 | Release date: | 2008-01-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystal structure of a hypothetical Sua5 protein from Sulfolobus tokodaii strain 7 Proteins, 70, 2008
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