2XAR
 
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with IP6. | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, INOSITOL-PENTAKISPHOSPHATE 2-KINASE, ZINC ION | | Authors: | Gonzalez, B, Banos-Sanz, J.I, Villate, M, Brearley, C.A, Sanz-Aparicio, J. | | Deposit date: | 2010-03-31 | | Release date: | 2010-05-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase is a Distant Ipk Member with a Singular Inositide Binding Site for Axial 2-Oh Recognition.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4IZ9
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5OX0
 | | Glycogen Phosphorylase in complex with CK898 | | Descriptor: | (1S)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1H-1,2,4-triazol-5-yl)-D-glucitol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D. | | Deposit date: | 2017-09-05 | | Release date: | 2018-02-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the beta-pocket of the active site of human liver glycogen phosphorylase with 3-(C-beta-d-glucopyranosyl)-5-(4-substituted-phenyl)-1, 2, 4-triazole inhibitors.
Bioorg. Chem., 77, 2018
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6TWA
 | | Human CD73 (ecto 5'-nucleotidase) in complex with PSB12646 (an AOPCP derivative, compound 20 in publication) in the closed state | | Descriptor: | 5'-nucleotidase, CALCIUM ION, ZINC ION, ... | | Authors: | Pippel, J, Strater, N. | | Deposit date: | 2020-01-12 | | Release date: | 2020-02-19 | | Last modified: | 2020-04-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
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3MS7
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1V7A
 | | Crystal structures of adenosine deaminase complexed with potent inhibitors | | Descriptor: | 1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE, ZINC ION, adenosine deaminase | | Authors: | Kinoshita, T. | | Deposit date: | 2003-12-14 | | Release date: | 2004-12-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based design and synthesis of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors
J.Med.Chem., 47, 2004
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4GDE
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1VBH
 | | Pyruvate Phosphate Dikinase with bound Mg-PEP from Maize | | Descriptor: | MAGNESIUM ION, PHOSPHOENOLPYRUVATE, SULFATE ION, ... | | Authors: | Nakanishi, T, Nakatsu, T, Matsuoka, M, Sakata, K, Kato, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-02-26 | | Release date: | 2005-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of pyruvate phosphate dikinase from maize revealed an alternative conformation in the swiveling-domain motion
Biochemistry, 44, 2005
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1UMK
 | | The Structure of Human Erythrocyte NADH-cytochrome b5 Reductase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH-cytochrome b5 reductase | | Authors: | Bando, S, Takano, T, Yubisui, T, Shirabe, K, Takeshita, M, Horii, C, Nakagawa, A. | | Deposit date: | 2003-10-03 | | Release date: | 2004-11-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of human erythrocyte NADH-cytochrome b5 reductase.
Acta Crystallogr.,Sect.D, 60, 2004
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1UR6
 | | NMR based structural model of the UbcH5B-CNOT4 complex | | Descriptor: | POTENTIAL TRANSCRIPTIONAL REPRESSOR NOT4HP, UBIQUITIN-CONJUGATING ENZYME E2-17 KDA 2, ZINC ION | | Authors: | Dominguez, C, Bonvin, A.M.J.J, Winkler, G.S, Van Schaik, F.M.A, Timmers, H.Th.M, Boelens, R. | | Deposit date: | 2003-10-27 | | Release date: | 2004-05-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR, THEORETICAL MODEL | | Cite: | Structural Model of the Ubch5B/Cnot4 Complex Revealed by Combining NMR, Mutagenesis, and Docking Approaches.
Structure, 12, 2004
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1UML
 | | Crystal structure of adenosine deaminase complexed with a potent inhibitor FR233624 | | Descriptor: | 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine deaminase, ZINC ION | | Authors: | Kinoshita, T. | | Deposit date: | 2003-10-03 | | Release date: | 2004-09-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based design, synthesis, and structure-activity relationship studies of novel non-nucleoside adenosine deaminase inhibitors
J.Med.Chem., 47, 2004
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7KL3
 | | The crystal structure of the 2009/H1N1/California PA endonuclease mutant E119D bound to RNA oligomer AG*CAUC (*uncleaveable bond, -UC disordered) | | Descriptor: | 5'-O-sulfocytidine, ADENOSINE MONOPHOSPHATE, GLYCEROL, ... | | Authors: | Cuypers, M.G, Kumar, G, White, S.W. | | Deposit date: | 2020-10-28 | | Release date: | 2021-02-03 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural insights into the substrate specificity of the endonuclease activity of the influenza virus cap-snatching mechanism.
Nucleic Acids Res., 49, 2021
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4H2T
 | | Crystal structure of Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with cognate carrier protein and an analogue of glycyl adenylate | | Descriptor: | 4'-PHOSPHOPANTETHEINE, 5'-O-(glycylsulfamoyl)adenosine, Amino acid--[acyl-carrier-protein] ligase 1, ... | | Authors: | Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M. | | Deposit date: | 2012-09-13 | | Release date: | 2013-03-06 | | Last modified: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation.
Structure, 21, 2013
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1VCD
 | | Crystal Structure of a T.thermophilus HB8 Ap6A hydrolase Ndx1 | | Descriptor: | GLYCEROL, Ndx1, SULFATE ION | | Authors: | Iwai, T, Nakagawa, N, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-03-05 | | Release date: | 2005-04-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of Nudix Protein Ndx1 from Thermus thermophilus HB8 in binary complex with diadenosine hexaphosphate
To be Published
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1VC9
 | | Crystal Structure of a T.thermophilus HB8 Ap6A hydrolase E50Q mutant-Mg2+-ATP complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ndx1 | | Authors: | Iwai, T, Nakagawa, N, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-03-05 | | Release date: | 2005-04-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Nudix Protein Ndx1 from Thermus thermophilus HB8 in binary complex with diadenosine hexaphosphate
To be Published
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1SOO
 | | ADENYLOSUCCINATE SYNTHETASE INHIBITED BY HYDANTOCIDIN 5'-MONOPHOSPHATE | | Descriptor: | ADENYLOSUCCINATE SYNTHETASE, BETA-MERCAPTOETHANOL, HYDANTOCIDIN-5'-PHOSPHATE, ... | | Authors: | Cowan-Jacob, S.W. | | Deposit date: | 1996-05-07 | | Release date: | 1997-09-04 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The mode of action and the structure of a herbicide in complex with its target: binding of activated hydantocidin to the feedback regulation site of adenylosuccinate synthetase.
Proc.Natl.Acad.Sci.USA, 93, 1996
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2X0S
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2X3J
 | | CO-COMPLEX STRUCTURE OF ACHROMOBACTIN SYNTHETASE PROTEIN D (ACSD) WITH ATP AND N-CITRYL-ETHYLENEDIAMINE FROM PECTOBACTERIUM CHRYSANTHEMI | | Descriptor: | (2S)-2-{2-[(2-AMINOETHYL)AMINO]-2-OXOETHYL}-2-HYDROXYBUTANEDIOIC ACID, ACSD, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Schmelz, S, Challis, G.L, Naismith, J.H. | | Deposit date: | 2010-01-25 | | Release date: | 2011-01-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for Acyl Acceptor Specificity in the Achromobactin Biosynthetic Enzyme Acsd.
J.Mol.Biol., 412, 2011
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3NYN
 | | Crystal Structure of G Protein-Coupled Receptor Kinase 6 in Complex with Sangivamycin | | Descriptor: | (R,R)-2,3-BUTANEDIOL, G protein-coupled receptor kinase 6, SANGIVAMYCIN, ... | | Authors: | Tesmer, J.J.G, Singh, P. | | Deposit date: | 2010-07-15 | | Release date: | 2010-09-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Molecular basis for activation of G protein-coupled receptor kinases.
Embo J., 29, 2010
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1V79
 | | Crystal structures of adenosine deaminase complexed with potent inhibitors | | Descriptor: | 1-{(1R,2S)-1-[2-(2,3,-DICHLOROPHENYL)ETHYL]-2-HYDROXYPROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine deaminase, ZINC ION | | Authors: | Kinoshita, T. | | Deposit date: | 2003-12-14 | | Release date: | 2004-12-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based design and synthesis of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors
J.Med.Chem., 47, 2004
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2XAL
 | | Lead derivative of Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with ADP and IP6. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, INOSITOL-PENTAKISPHOSPHATE 2-KINASE, ... | | Authors: | Gonzalez, B, Banos-Sanz, J.I, Villate, M, Brearley, C.A, Sanz-Aparicio, J. | | Deposit date: | 2010-03-31 | | Release date: | 2010-05-19 | | Last modified: | 2020-10-07 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase is a Distant Ipk Member with a Singular Inositide Binding Site for Axial 2-Oh Recognition.
Proc.Natl.Acad.Sci.USA, 107, 2010
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2XAO
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with IP5 | | Descriptor: | INOSITOL-PENTAKISPHOSPHATE 2-KINASE, MYO-INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATE, ZINC ION | | Authors: | Gonzalez, B, Banos-Sanz, J.I, Villate, M, Brearley, C.A, Sanz-Aparicio, J. | | Deposit date: | 2010-03-31 | | Release date: | 2010-05-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase is a Distant Ipk Member with a Singular Inositide Binding Site for Axial 2-Oh Recognition.
Proc.Natl.Acad.Sci.USA, 107, 2010
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7MGT
 | | Ftp from Treponema pallidum bound to an ADP-like inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-chloroadenosine 5'-(trihydrogen diphosphate), FAD:protein FMN transferase, ... | | Authors: | Brautigam, C.A, Deka, R, Norgard, M.V. | | Deposit date: | 2021-04-13 | | Release date: | 2021-12-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Inhibition of bacterial FMN transferase: A potential avenue for countering antimicrobial resistance.
Protein Sci., 31, 2022
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1TUY
 | | Acetate Kinase complexed with ADP, AlF3 and acetate | | Descriptor: | ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ... | | Authors: | Gorrell, A, Lawrence, S.H, Ferry, J.G. | | Deposit date: | 2004-06-25 | | Release date: | 2005-01-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and Kinetic Analyses of Arginine Residues in the Active Site of the Acetate Kinase from Methanosarcina thermophila.
J.Biol.Chem., 280, 2005
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3OE7
 | | Structure of four mutant forms of yeast f1 ATPase: gamma-I270T | | Descriptor: | ATP synthase subunit alpha, ATP synthase subunit beta, ATP synthase subunit delta, ... | | Authors: | Arsenieva, D, Symersky, J, Wang, Y, Pagadala, V, Mueller, D.M. | | Deposit date: | 2010-08-12 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Crystal structures of mutant forms of the yeast f1 ATPase reveal two modes of uncoupling.
J.Biol.Chem., 285, 2010
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