2R8Z
| Crystal structure of YrbI phosphatase from Escherichia coli in complex with a phosphate and a calcium ion | Descriptor: | 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, CALCIUM ION, PHOSPHATE ION | Authors: | Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R.W, Biswas, T. | Deposit date: | 2007-09-11 | Release date: | 2008-09-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE. J.Biol.Chem., 284, 2009
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2R8X
| Crystal structure of YrbI phosphatase from Escherichia coli | Descriptor: | 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, CHLORIDE ION | Authors: | Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R.W, Biswas, T. | Deposit date: | 2007-09-11 | Release date: | 2008-09-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE. J.Biol.Chem., 284, 2009
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2R8Y
| Crystal structure of YrbI phosphatase from Escherichia coli in a complex with Ca | Descriptor: | CALCIUM ION, CHLORIDE ION, YrbI from Escherichia coli | Authors: | Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R.W, Biswas, T. | Deposit date: | 2007-09-11 | Release date: | 2008-09-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE. J.Biol.Chem., 284, 2009
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2R8E
| Crystal structure of YrbI from Escherichia coli in complex with Mg | Descriptor: | 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, CHLORIDE ION, MAGNESIUM ION | Authors: | Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R, Biswas, T. | Deposit date: | 2007-09-10 | Release date: | 2008-09-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE. J.Biol.Chem., 284, 2009
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2VSL
| Crystal Structure of XIAP BIR3 with a Bivalent Smac Mimetic | Descriptor: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4, PEPTIDE (MAA-LYS-PRO-PHE), POLYETHYLENE GLYCOL (N=34), ... | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2008-04-24 | Release date: | 2008-09-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Interaction of a Cyclic, Bivalent Smac Mimetic with the X-Linked Inhibitor of Apoptosis Protein. Biochemistry, 47, 2008
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2X6P
| Crystal Structure of Coil Ser L19C | Descriptor: | COIL SER L19C, ZINC ION | Authors: | Chakraborty, S, Touw, D.S, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. | Deposit date: | 2010-02-18 | Release date: | 2010-09-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Comparisons of Apo- and Metalated Three-Stranded Coiled Coils Clarify Metal Binding Determinants in Thiolate Containing Designed Peptides. J.Am.Chem.Soc., 132, 2010
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1LRN
| Aquifex aeolicus KDO8P synthase H185G mutant in complex with Cadmium | Descriptor: | CADMIUM ION, KDO-8-phosphate synthetase, PHOSPHATE ION | Authors: | Wang, J, Duewel, H.S, Stuckey, J.A, Woodard, R.W, Gatti, D.L. | Deposit date: | 2002-05-15 | Release date: | 2002-11-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Function of His185 in Aquifex aeolicus 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase J.Mol.Biol., 324, 2002
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1LRO
| Aquifex aeolicus KDO8P synthase H185G mutant in complex with PEP and Cadmium | Descriptor: | CADMIUM ION, KDO-8-phosphate synthetase, PHOSPHATE ION, ... | Authors: | Wang, J, Duewel, H.S, Stuckey, J.A, Woodard, R.W, Gatti, D.L. | Deposit date: | 2002-05-15 | Release date: | 2002-11-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Function of His185 in Aquifex aeolicus 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase J.Mol.Biol., 324, 2002
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1LRQ
| Aquifex aeolicus KDO8P synthase H185G mutant in complex with PEP, A5P and Cadmium | Descriptor: | ARABINOSE-5-PHOSPHATE, CADMIUM ION, KDO-8-phosphate synthetase, ... | Authors: | Wang, J, Duewel, H.S, Stuckey, J.A, Woodard, R.W, Gatti, D.L. | Deposit date: | 2002-05-15 | Release date: | 2002-11-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Function of His185 in Aquifex aeolicus 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase J.Mol.Biol., 324, 2002
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1LW3
| Crystal Structure of Myotubularin-related protein 2 complexed with phosphate | Descriptor: | Myotubularin-related protein 2, PHOSPHATE ION | Authors: | Begley, M.J, Taylor, G.S, Kim, S.-A, Veine, D.M, Dixon, J.E, Stuckey, J.A. | Deposit date: | 2002-05-30 | Release date: | 2003-10-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of a Phosphoinositide Phosphatase, MTMR2: Insights into Myotubular Myopathy and Charcot-Marie-Tooth Syndrome Mol.Cell, 12, 2003
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1M7R
| Crystal Structure of Myotubularin-related Protein-2 (MTMR2) Complexed with Phosphate | Descriptor: | Myotubularin-related Protein-2, PHOSPHATE ION | Authors: | Begley, M.J, Taylor, G.S, Kim, S.-A, Veine, D.M, Dixon, J.E, Stuckey, J.A. | Deposit date: | 2002-07-22 | Release date: | 2003-10-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of a phosphoinositide phosphatase, MTMR2: insights into myotubular myopathy and Charcot-Marie-Tooth syndrome Mol.Cell, 12, 2003
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1XXP
| Yersinia YopH (residues 163-468) C403S binds phosphotyrosyl peptide at two sites | Descriptor: | Hexapeptide ASP-ALA-ASP-GLU-PTR-CLE, Protein-tyrosine phosphatase yopH | Authors: | Ivanov, M.I, Stuckey, J.A, Schubert, H.L, Saper, M.A, Bliska, J.B. | Deposit date: | 2004-11-07 | Release date: | 2005-03-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Two substrate-targeting sites in the Yersinia protein tyrosine phosphatase co-operate to promote bacterial virulence Mol.Microbiol., 55, 2005
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1XXV
| Yersinia YopH (residues 163-468) binds phosphonodifluoromethyl-Phe containing hexapeptide at two sites | Descriptor: | Epidermal growth factor receptor derived peptide, Protein-tyrosine phosphatase yopH | Authors: | Ivanov, M.I, Stuckey, J.A, Schubert, H.L, Saper, M.A, Bliska, J.B. | Deposit date: | 2004-11-08 | Release date: | 2005-03-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Two substrate-targeting sites in the Yersinia protein tyrosine phosphatase co-operate to promote bacterial virulence Mol.Microbiol., 55, 2005
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2BMY
| Banana Lectin | Descriptor: | CADMIUM ION, RIPENING-ASSOCIATED PROTEIN, SULFATE ION | Authors: | Meagher, J.L, Winter, H.C, Ezell, P, Goldstein, I.J, Stuckey, J.A. | Deposit date: | 2005-03-17 | Release date: | 2005-06-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Banana Lectin Reveals a Novel Second Sugar Binding Site. Glycobiology, 15, 2005
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2BMZ
| Banana Lectin bound to Xyl-b1,3 Man-a-O-Methyl (XM) | Descriptor: | CADMIUM ION, RIPENING-ASSOCIATED PROTEIN, SULFATE ION, ... | Authors: | Meagher, J.L, Winter, H.C, Ezell, P, Goldstein, I.J, Stuckey, J.A. | Deposit date: | 2005-03-17 | Release date: | 2005-06-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Banana Lectin Reveals a Novel Second Sugar Binding Site. Glycobiology, 15, 2005
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2BN0
| Banana Lectin bound to Laminaribiose | Descriptor: | CADMIUM ION, RIPENING-ASSOCIATED PROTEIN, SULFATE ION, ... | Authors: | Meagher, J.L, Winter, H.C, Ezell, P, Goldstein, I.J, Stuckey, J.A. | Deposit date: | 2005-03-17 | Release date: | 2005-06-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Banana Lectin Reveals a Novel Second Sugar Binding Site. Glycobiology, 15, 2005
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6U6F
| The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21 | Descriptor: | 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Yang, Y, Stuckey, J.A, Nikolovska-Coleska, Z. | Deposit date: | 2019-08-29 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins. J.Med.Chem., 63, 2020
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6U9K
| MLL1 SET N3861I/Q3867L bound to inhibitor 18 (TC-5153) | Descriptor: | 5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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6U9R
| MLL1 SET N3861I/Q3867L bound to inhibitor 12 (TC-5140) | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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6U9N
| MLL1 SET N3861I/Q3867L bound to inhibitor 14 (TC-5139) | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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6U9M
| MLL1 SET N3861I/Q3867L bound to inhibitor 16 (TC-5109) | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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6C7R
| BRD4 BD1 in complex with compound CF53 | Descriptor: | Bromodomain-containing protein 4, N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2018-01-23 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. J. Med. Chem., 61, 2018
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6CJG
| Human dihydroorotate dehydrogenase bound to napthyridine inhibitor 46 | Descriptor: | 2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2018-02-26 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.851 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase. J. Med. Chem., 61, 2018
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6CJF
| Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43 | Descriptor: | 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2018-02-26 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase. J. Med. Chem., 61, 2018
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7KMU
| Structure of WT Malaysian Banana Lectin | Descriptor: | 1,2-ETHANEDIOL, Jacalin-type lectin domain-containing protein | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2020-11-03 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Targeted disruption of pi-pi stacking in Malaysian banana lectin reduces mitogenicity while preserving antiviral activity. Sci Rep, 11, 2021
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