1DDX
| CRYSTAL STRUCTURE OF A MIXTURE OF ARACHIDONIC ACID AND PROSTAGLANDIN BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2: PROSTAGLANDIN STRUCTURE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-YL]-HEPT-5-ENOIC ACID, ... | Authors: | Kiefer, J.R, Pawlitz, J.L, Moreland, K.T, Stegeman, R.A, Gierse, J.K, Stevens, A.M, Goodwin, D.C, Rowlinson, S.W, Marnett, L.J, Stallings, W.C, Kurumbail, R.G. | Deposit date: | 1999-11-11 | Release date: | 2000-05-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into the stereochemistry of the cyclooxygenase reaction. Nature, 405, 2000
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1P5E
| The structure of phospho-CDK2/cyclin A in complex with the inhibitor 4,5,6,7-tetrabromobenzotriazole (TBS) | Descriptor: | 4,5,6,7-TETRABROMOBENZOTRIAZOLE, Cell division protein kinase 2, Cyclin A2 | Authors: | De Moliner, E, Brown, N.R, Johnson, L.N. | Deposit date: | 2003-04-26 | Release date: | 2003-07-01 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Alternative binding modes of an inhibitor to two different kinases Eur.J.Biochem., 270, 2003
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7ZR0
| CryoEM structure of HSP90-CDC37-BRAF(V600E) complex. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, Hsp90 co-chaperone Cdc37, ... | Authors: | Oberoi, J, Pearl, L.H. | Deposit date: | 2022-05-03 | Release date: | 2022-12-14 | Last modified: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | HSP90-CDC37-PP5 forms a structural platform for kinase dephosphorylation. Nat Commun, 13, 2022
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7ZR5
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7ZR6
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4J1R
| Crystal Structure of GSK3b in complex with inhibitor 15R | Descriptor: | (2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION, ... | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-02-01 | Release date: | 2013-03-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.702 Å) | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor To be Published
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4J71
| Crystal Structure of GSK3b in complex with inhibitor 1R | Descriptor: | (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ... | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-02-12 | Release date: | 2013-03-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor To be Published
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3G8C
| Crystal Structure of Biotin Carboxylase in Complex with Biotin, Bicarbonate, ADP and Mg Ion | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BICARBONATE ION, BIOTIN, ... | Authors: | Chou, C.Y, Yu, L.P, Tong, L. | Deposit date: | 2009-02-12 | Release date: | 2009-03-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of biotin carboxylase in complex with substrates and implications for its catalytic mechanism. J.Biol.Chem., 284, 2009
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4IQ6
| Gsk-3beta with inhibitor 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine | Descriptor: | 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine, Glycogen synthase kinase-3 beta | Authors: | Tong, Y, Stewart, K.D, Florjancic, A.S, Harlan, J.E, Merta, P.J, Przytulinska, M, Soni, N, Swinger, K.S, Zhu, H, Johnson, E.F, Shoemaker, A.R, Penning, T.D. | Deposit date: | 2013-01-10 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Azaindole-Based Inhibitors of Cdc7 Kinase: Impact of the Pre-DFG Residue, Val 195. ACS Med Chem Lett, 4, 2013
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7B6F
| GSK3-beta in complex with compound (S)-5c | Descriptor: | 1,2-ETHANEDIOL, 3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile, Glycogen synthase kinase-3 beta, ... | Authors: | Tesch, R, Andreev, S, Koch, P, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-07 | Release date: | 2020-12-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | GSK3-beta in complex with compound (S)-5c To be published
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3G8D
| Crystal structure of the biotin carboxylase subunit, E296A mutant, of acetyl-COA carboxylase from Escherichia coli | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Biotin carboxylase, MAGNESIUM ION, ... | Authors: | Chou, C.Y, Yu, L.P, Tong, L. | Deposit date: | 2009-02-12 | Release date: | 2009-03-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of biotin carboxylase in complex with substrates and implications for its catalytic mechanism. J.Biol.Chem., 284, 2009
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1BS1
| DETHIOBIOTIN SYNTHETASE COMPLEXED WITH DETHIOBIOTIN, ADP , INORGANIC PHOSPHATE AND MAGNESIUM | Descriptor: | 8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Kaeck, H, Sandmark, J, Gibson, K.J, Schneider, G, Lindqvist, Y. | Deposit date: | 1998-08-31 | Release date: | 1999-01-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of two quaternary complexes of dethiobiotin synthetase, enzyme-MgADP-AlF3-diaminopelargonic acid and enzyme-MgADP-dethiobiotin-phosphate; implications for catalysis. Protein Sci., 7, 1998
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2QMO
| Crystal structure of dethiobiotin synthetase (bioD) from Helicobacter pylori | Descriptor: | CHLORIDE ION, Dethiobiotin synthetase | Authors: | Chruszcz, M, Xu, X, Cuff, M, Cymborowski, M, Zheng, H, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-07-16 | Release date: | 2007-07-31 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members. Febs J., 279, 2012
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7TA5
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1DAM
| DETHIOBIOTIN SYNTHETASE COMPLEXED WITH DETHIOBIOTIN, ADP, INORGANIC PHOSPHATE AND MAGNESIUM | Descriptor: | 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Kaeck, H, Sandmark, J, Gibson, K.J, Schneider, G, Lindqvist, Y. | Deposit date: | 1998-08-31 | Release date: | 1999-01-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of two quaternary complexes of dethiobiotin synthetase, enzyme-MgADP-AlF3-diaminopelargonic acid and enzyme-MgADP-dethiobiotin-phosphate; implications for catalysis. Protein Sci., 7, 1998
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8QE0
| Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 12 | Descriptor: | 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M. | Deposit date: | 2023-08-30 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
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8QE2
| Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 21 | Descriptor: | 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M. | Deposit date: | 2023-08-30 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.109 Å) | Cite: | Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
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8QE3
| Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 31 | Descriptor: | 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methylpyridin-3-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M. | Deposit date: | 2023-08-30 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.089 Å) | Cite: | Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
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8QE1
| Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 15 | Descriptor: | 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(4-methoxyphenyl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M. | Deposit date: | 2023-08-30 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.095 Å) | Cite: | Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
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8QDZ
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8QDY
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4KRD
| Crystal Structure of Pho85-Pcl10 Complex | Descriptor: | Cyclin-dependent protein kinase PHO85, PHO85 cyclin-10 | Authors: | Quiocho, F.A, Zheng, F. | Deposit date: | 2013-05-16 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | New Structural Insights into Phosphorylation-free Mechanism for Full Cyclin-dependent Kinase (CDK)-Cyclin Activity and Substrate Recognition. J.Biol.Chem., 288, 2013
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1ASY
| CLASS II AMINOACYL TRANSFER RNA SYNTHETASES: CRYSTAL STRUCTURE OF YEAST ASPARTYL-TRNA SYNTHETASE COMPLEXED WITH TRNA ASP | Descriptor: | ASPARTYL-tRNA SYNTHETASE, T-RNA (75-MER) | Authors: | Ruff, M, Cavarelli, J, Rees, B, Krishnaswamy, S, Thierry, J.C, Moras, D. | Deposit date: | 1995-01-19 | Release date: | 1995-05-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Class II aminoacyl transfer RNA synthetases: crystal structure of yeast aspartyl-tRNA synthetase complexed with tRNA(Asp). Science, 252, 1991
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3DLA
| X-ray crystal structure of glutamine-dependent NAD+ synthetase from Mycobacterium tuberculosis bound to NaAD+ and DON | Descriptor: | 5-OXO-L-NORLEUCINE, GLYCEROL, Glutamine-dependent NAD(+) synthetase, ... | Authors: | LaRonde-LeBlanc, N.A, Resto, M, Gerratana, B. | Deposit date: | 2008-06-26 | Release date: | 2009-03-10 | Last modified: | 2019-10-23 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Regulation of active site coupling in glutamine-dependent NAD(+) synthetase. Nat.Struct.Mol.Biol., 16, 2009
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6ISE
| Crystal structure of AMPPNP bound CK2 alpha from C. neoformans | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Cho, H.S. | Deposit date: | 2018-11-16 | Release date: | 2019-11-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of AMPPNP bound CK2 alpha from C. neoformans To be published
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