7NS5
| Structure of yeast Fbp1 (Fructose-1,6-bisphosphatase 1) | Descriptor: | Fructose-1,6-bisphosphatase, MAGNESIUM ION, PHOSPHATE ION | Authors: | Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A. | Deposit date: | 2021-03-05 | Release date: | 2021-05-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme. Mol.Cell, 81, 2021
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5JG5
| Human carbonic anhydrase II (V121T/F131Y) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-19 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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5JGT
| Human carbonic anhydrase II (F131Y/L198A) complexed with 1,3-thiazole-2-sulfonamide | Descriptor: | 1,3-thiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-20 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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3GER
| Guanine riboswitch bound to 6-chloroguanine | Descriptor: | 6-chloroguanine, ACETATE ION, COBALT HEXAMMINE(III), ... | Authors: | Gilbert, S.D, Batey, R.T. | Deposit date: | 2009-02-25 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Adaptive ligand binding by the purine riboswitch in the recognition of Guanine and adenine analogs Structure, 17, 2009
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4YH4
| Crystal structure of human BRD4(1) in complex with 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19d) | Descriptor: | 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL, ... | Authors: | Lakshminarasimhan, D, White, A, Suto, R.K. | Deposit date: | 2015-02-26 | Release date: | 2016-01-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design. Bioorg.Med.Chem.Lett., 25, 2015
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6TCU
| Glycogen synthase kinase-3 beta (GSK3b) in complex with ligand 1 | Descriptor: | 5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide, ACETATE ION, Glycogen synthase kinase-3 beta | Authors: | Lammens, A, Krapp, S, Buonfiglio, R, Ombrato, R. | Deposit date: | 2019-11-06 | Release date: | 2020-09-16 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Optimization of Indazole-Based GSK-3 Inhibitors with Mitigated hERG Issue andIn VivoActivity in a Mood Disorder Model. Acs Med.Chem.Lett., 11, 2020
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4WNS
| Crystal structure of Transthyretin complexed with pterostilbene | Descriptor: | DIMETHYL SULFOXIDE, Pterostilbene, SULFATE ION, ... | Authors: | Zanotti, G, Cianci, M, Folli, C, Berni, R. | Deposit date: | 2014-10-14 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.399 Å) | Cite: | Structural evidence for asymmetric ligand binding to transthyretin. Acta Crystallogr.,Sect.D, 71, 2015
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4X5T
| alpha 1 glycine receptor transmembrane structure fused to the extracellular domain of GLIC | Descriptor: | ACETATE ION, CHLORIDE ION, NICKEL (II) ION, ... | Authors: | Sauguet, L, Corringer, P.J, Huon, C, Delarue, M. | Deposit date: | 2014-12-05 | Release date: | 2015-02-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Allosteric and hyperekplexic mutant phenotypes investigated on an alpha 1 glycine receptor transmembrane structure. Proc.Natl.Acad.Sci.USA, 112, 2015
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5JES
| Human carbonic anhydrase II (V121T) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-18 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.205 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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4APF
| Crystal structure of the human KLHL11-Cul3 complex at 3.1A resolution | Descriptor: | CULLIN 3, KELCH-LIKE PROTEIN 11 | Authors: | Canning, P, Cooper, C.D.O, Krojer, T, Vollmar, M, Ugochukwu, E, Muniz, J.R.C, Ayinampudi, V, Savitsky, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Bullock, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-02 | Release date: | 2012-05-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Basis for Cul3 Assembly with the Btb-Kelch Family of E3 Ubiquitin Ligases. J.Biol.Chem., 288, 2013
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4A8U
| Crystal Structure of native Birch Pollen Allergen Bet v 1 isoform j | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Kofler, S, Brandstetter, H. | Deposit date: | 2011-11-21 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1. J.Mol.Biol., 422, 2012
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4AON
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4A86
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2FW0
| Apo Open Form of Glucose/Galactose Binding Protein | Descriptor: | CALCIUM ION, CITRIC ACID, D-galactose-binding periplasmic protein, ... | Authors: | Borrok, M.J, Kiessling, L.L, Forest, K.T. | Deposit date: | 2006-01-31 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Conformational changes of glucose/galactose-binding protein illuminated by open, unliganded, and ultra-high-resolution ligand-bound structures. Protein Sci., 16, 2007
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3K6V
| M. acetivorans Molybdate-Binding Protein (ModA) in Citrate-Bound Open Form | Descriptor: | CITRIC ACID, Solute-binding protein MA_0280 | Authors: | Chan, S, Giuroiu, I, Chernishof, I, Sawaya, M.R, Chiang, J, Gunsalus, R.P, Arbing, M.A, Perry, L.J. | Deposit date: | 2009-10-09 | Release date: | 2010-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Apo and ligand-bound structures of ModA from the archaeon Methanosarcina acetivorans Acta Crystallogr.,Sect.F, 66, 2010
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4GX1
| Crystal structure of the GsuK bound to ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, PHOSPHATE ION, ... | Authors: | Kong, C, Zeng, W, Ye, S, Chen, L, Sauer, D.B, Lam, Y, Derebe, M.G, Jiang, Y. | Deposit date: | 2012-09-03 | Release date: | 2012-12-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Distinct gating mechanisms revealed by the structures of a multi-ligand gated K(+) channel. elife, 1, 2012
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5V88
| Structure of DCN1 bound to NAcM-COV | Descriptor: | Lysozyme,DCN1-like protein 1, N-{2-[({1-[(2R)-pentan-2-yl]piperidin-4-yl}{[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]phenyl}propanamide | Authors: | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | Deposit date: | 2017-03-21 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase. Nat. Chem. Biol., 13, 2017
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4GR9
| Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-[(3R)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1H-indol-5-yl]acetamide, ... | Authors: | Volkova, M.S, Jensen, K.C, Lozinskaya, N.A, Sosonyuk, S.E, Proskurnina, M.V, Mesecar, A.D, Zefirov, N.S. | Deposit date: | 2012-08-24 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.291 Å) | Cite: | Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation. Bioorg.Med.Chem.Lett., 22, 2012
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2FVY
| High Resolution Glucose Bound Crystal Structure of GGBP | Descriptor: | ACETATE ION, CALCIUM ION, CARBON DIOXIDE, ... | Authors: | Borrok, M.J, Kiessling, L.L, Forest, K.T. | Deposit date: | 2006-01-31 | Release date: | 2007-02-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | Conformational changes of glucose/galactose-binding protein illuminated by open, unliganded, and ultra-high-resolution ligand-bound structures. Protein Sci., 16, 2007
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2B5L
| Crystal Structure of DDB1 In Complex with Simian Virus 5 V Protein | Descriptor: | Nonstructural protein V, ZINC ION, damage-specific DNA binding protein 1 | Authors: | Li, T, Chen, X, Garbutt, K.C, Zhou, P, Zheng, N. | Deposit date: | 2005-09-28 | Release date: | 2006-02-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure of DDB1 in complex with a paramyxovirus V protein: viral hijack of a propeller cluster in ubiquitin ligase. Cell(Cambridge,Mass.), 124, 2006
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4GVL
| Crystal Structure of the GsuK RCK domain | Descriptor: | ADENOSINE MONOPHOSPHATE, CALCIUM ION, TrkA domain protein, ... | Authors: | Kong, C, Zeng, W, Ye, S, Chen, L, Sauer, D.B, Lam, Y, Derebe, M.G, Jiang, Y. | Deposit date: | 2012-08-30 | Release date: | 2012-12-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Distinct gating mechanisms revealed by the structures of a multi-ligand gated K(+) channel. elife, 1, 2012
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3HU8
| 2-ethoxyphenol in complex with T4 lysozyme L99A/M102Q | Descriptor: | 2-ethoxyphenol, Lysozyme, PHOSPHATE ION | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | Deposit date: | 2009-06-13 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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1F4D
| CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE C146S, L143C COVALENTLY MODIFIED AT C143 WITH N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL | Descriptor: | GLYCEROL, N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL, SULFATE ION, ... | Authors: | Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A. | Deposit date: | 2000-06-07 | Release date: | 2000-06-22 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Site-directed ligand discovery. Proc.Natl.Acad.Sci.USA, 97, 2000
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1F4F
| CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH SP-722 | Descriptor: | 4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINE, SULFATE ION, THYMIDYLATE SYNTHASE | Authors: | Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A. | Deposit date: | 2000-06-07 | Release date: | 2000-06-22 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Site-directed ligand discovery. Proc.Natl.Acad.Sci.USA, 97, 2000
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3QS9
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