1XDO
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1NDY
| Crystal Structure of Adenosine Deaminase Complexed with FR230513 | Descriptor: | 1-((1R)-1-(HYDROXYMETHYL)-3-(1-NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine Deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2002-12-09 | Release date: | 2003-12-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization J.Am.Chem.Soc., 126, 2004
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1NDW
| Crystal Structure of Adenosine Deaminase Complexed with FR221647 | Descriptor: | 1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine Deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2002-12-09 | Release date: | 2003-12-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization J.Am.Chem.Soc., 126, 2004
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1NDZ
| Crystal Structure of Adenosine Deaminase Complexed with FR235999 | Descriptor: | 1-((1R)-1-(HYDROXYMETHYL)-3-(6-((3-(1-METHYL-1H-BENZIMIDAZOL-2-YL)PROPANOYL)AMINO)-1H-INDOL-1-YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine Deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2002-12-09 | Release date: | 2003-12-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization J.Am.Chem.Soc., 126, 2004
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2V0C
| LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A SULPHAMOYL ANALOGUE OF LEUCYL-ADENYLATE In the synthetic site and an adduct of AMP with 5-Fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole (AN2690) in the editing site | Descriptor: | AMINOACYL-TRNA SYNTHETASE, LEUCINE, SULFATE ION, ... | Authors: | Rock, F, Mao, W, Yaremchuk, A, Tukalo, M, Crepin, T, Zhou, H, Zhang, Y, Hernandez, V, Akama, T, Baker, S, Plattner, J, Shapiro, L, Martinis, S.A, Benkovic, S.J, Cusack, S, Alley, M.R.K. | Deposit date: | 2007-05-14 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An Antifungal Agent Inhibits an Aminoacyl-tRNA Synthetase by Trapping tRNA in the Editing Site. Science, 316, 2007
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2VSO
| Crystal Structure of a Translation Initiation Complex | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP-DEPENDENT RNA HELICASE EIF4A, EUKARYOTIC INITIATION FACTOR 4F SUBUNIT P150 | Authors: | Schutz, P, Bumann, M, Oberholzer, A.E, Bieniossek, C, Altmann, M, Trachsel, H, Baumann, U. | Deposit date: | 2008-04-28 | Release date: | 2008-06-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of the Yeast Eif4A-Eif4G Complex: An RNA-Helicase Controlled by Protein-Protein Interactions. Proc.Natl.Acad.Sci.USA, 105, 2008
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2XAN
| inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with AMP PNP and IP5 | Descriptor: | INOSITOL-PENTAKISPHOSPHATE 2-KINASE, MAGNESIUM ION, MYO-INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATE, ... | 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 (2.2 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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1ZUD
| Structure of ThiS-ThiF protein complex | Descriptor: | Adenylyltransferase thiF, CALCIUM ION, SODIUM ION, ... | Authors: | Ealick, S.E, Lehmann, C. | Deposit date: | 2005-05-30 | Release date: | 2006-01-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure of the Escherichia coli ThiS-ThiF Complex, a Key Component of the Sulfur Transfer System in Thiamin Biosynthesis. Biochemistry, 45, 2006
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4CF7
| Crystal structure of adenylate kinase from Aquifex aeolicus with MgADP bound | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINASE, ... | Authors: | Kerns, S.J, Agafonov, R.V, Cho, Y.-J, Pontiggia, F, Otten, R, Pachov, D.V, Kutter, S, Phung, L.A, Murphy, P.N, Thai, V, Hagan, M.F, Kern, D. | Deposit date: | 2013-11-13 | Release date: | 2014-12-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.594 Å) | Cite: | The Energy Landscape of Adenylate Kinase During Catalysis. Nat.Struct.Mol.Biol., 22, 2015
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6J53
| Crystal structure of human HINT1 complexing with ATP | Descriptor: | ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2019-01-10 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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6J58
| Crystal structure of human HINT1 complexing with AP4A | Descriptor: | ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2019-01-10 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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8G9E
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6IRR
| Solution structure of DISC1/ATF4 complex | Descriptor: | Disrupted in schizophrenia 1 homolog,Cyclic AMP-dependent transcription factor ATF-4 | Authors: | Ye, F, Yu, C, Zhang, M. | Deposit date: | 2018-11-14 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural interaction between DISC1 and ATF4 underlying transcriptional and synaptic dysregulation in an iPSC model of mental disorders. Mol. Psychiatry, 2019
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1GA7
| CRYSTAL STRUCTURE OF THE ADP-RIBOSE PYROPHOSPHATASE IN COMPLEX WITH GD+3 | Descriptor: | GADOLINIUM ION, HYPOTHETICAL 23.7 KDA PROTEIN IN ICC-TOLC INTERGENIC REGION | Authors: | Gabelli, S.B, Bianchet, M.A, Bessman, M.J, Amzel, L.M. | Deposit date: | 2000-11-29 | Release date: | 2001-05-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | The structure of ADP-ribose pyrophosphatase reveals the structural basis for the versatility of the Nudix family. Nat.Struct.Biol., 8, 2001
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1GG8
| DESIGN OF INHIBITORS OF GLYCOGEN PHOSPHORYLASE: A STUDY OF ALPHA-AND BETA-C-GLUCOSIDES AND 1-THIO-BETA-D-GLUCOSE COMPOUNDS | Descriptor: | ALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDE, INOSINIC ACID, PROTEIN (GLYCOGEN PHOSPHORYLASE), ... | Authors: | Watson, K.A, Mitchell, E.P, Johnson, L.N, Son, J.C, Bichard, C.J, Orchard, M.G, Fleet, G.W, Oikonomakos, N.G, Leonidas, D.D, Kontou, M, Papageorgiou, A.C. | Deposit date: | 2000-07-30 | Release date: | 2000-08-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Design of inhibitors of glycogen phosphorylase: a study of alpha- and beta-C-glucosides and 1-thio-beta-D-glucose compounds. Biochemistry, 33, 1994
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1FX2
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6TQF
| The structure of ABC transporter Rv1819c in AMP-PNP bound state | Descriptor: | ABC transporter ATP-binding protein/permease, DODECYL-BETA-D-MALTOSIDE, MAGNESIUM ION, ... | Authors: | Rempel, S, Gati, C, Slotboom, D.J, Guskov, A. | Deposit date: | 2019-12-16 | Release date: | 2020-04-01 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | A mycobacterial ABC transporter mediates the uptake of hydrophilic compounds. Nature, 580, 2020
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6SUL
| Amicoumacin kinase AmiN in complex with AMP-PNP, Mg2+ and Ami | Descriptor: | Amicoumacin A, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Bourenkov, G.P, Mokrushina, Y.A, Terekhov, S.S, Smirnov, I.V, Gabibov, A.G, Altman, S. | Deposit date: | 2019-09-15 | Release date: | 2020-07-22 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding. Sci Adv, 6, 2020
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8OIF
| Structure of the UBE1L activating enzyme bound to ISG15 and UBE2L6 | Descriptor: | ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ... | Authors: | Wallace, I, Kheewoong, B, Prabu, J.R, Vollrath, R, von Gronau, S, Schulman, B.A, Swatek, K.N. | Deposit date: | 2023-03-22 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Insights into the ISG15 transfer cascade by the UBE1L activating enzyme. Nat Commun, 14, 2023
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6PJX
| Crystal Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) in Complex with Calmodulin (CaM) | Descriptor: | CALCIUM ION, Calmodulin, G protein-coupled receptor kinase 5, ... | Authors: | Bhardwaj, A, Komolov, K.E, Sulon, S, Benovic, J.L. | Deposit date: | 2019-06-28 | Release date: | 2020-12-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure of a GRK5-Calmodulin Complex Reveals Molecular Mechanism of GRK Activation and Substrate Targeting. Mol.Cell, 81, 2021
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6CPT
| crystal structure of yeast caPDE2 in complex with IBMX | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase, ... | Authors: | Ke, h, Wang, Y. | Deposit date: | 2018-03-14 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions. Biochemistry, 57, 2018
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6CPU
| Crystal structure of yeast caPDE2 | Descriptor: | MAGNESIUM ION, Phosphodiesterase, ZINC ION | Authors: | Ke, H, Wang, y. | Deposit date: | 2018-03-14 | Release date: | 2019-02-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions. Biochemistry, 57, 2018
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6LW2
| The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase | Descriptor: | 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1 | Authors: | Wang, X.Y, Zhou, J, Xu, B.L. | Deposit date: | 2020-02-07 | Release date: | 2020-05-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis. J.Med.Chem., 63, 2020
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8R9A
| A soakable crystal form of human CDK7 in complex with AMP-PNP | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 7, DI(HYDROXYETHYL)ETHER | Authors: | Mukherjee, M, Cleasby, A. | Deposit date: | 2023-11-30 | Release date: | 2024-05-29 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design. Structure, 32, 2024
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8R9S
| A soakable crystal form of human CDK7 in complex with AMP-PNP | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Cyclin-dependent kinase 7, DI(HYDROXYETHYL)ETHER, ... | Authors: | Mukherjee, M, Cleasby, A. | Deposit date: | 2023-11-30 | Release date: | 2024-05-29 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design. Structure, 32, 2024
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