1DDN
| DIPHTHERIA TOX REPRESSOR (C102D MUTANT)/TOX DNA OPERATOR COMPLEX | Descriptor: | 33 BASE DNA CONTAINING TOXIN OPERATOR, DIPHTHERIA TOX REPRESSOR, NICKEL (II) ION | Authors: | White, A, Ding, X, Vanderspek, J.C, Murphy, J.R, Ringe, D. | Deposit date: | 1998-06-23 | Release date: | 1998-10-14 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the metal-ion-activated diphtheria toxin repressor/tox operator complex. Nature, 394, 1998
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1DGK
| MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I WITH GLUCOSE AND ADP IN THE ACTIVE SITE | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEXOKINASE TYPE I, PHOSPHATE ION, ... | Authors: | Aleshin, A.E, Liu, X, Kirby, C, Bourenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B. | Deposit date: | 1999-11-24 | Release date: | 2000-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of mutant monomeric hexokinase I reveal multiple ADP binding sites and conformational changes relevant to allosteric regulation. J.Mol.Biol., 296, 2000
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5ETX
| Crystal structure of HCV NS3/4A protease A156T variant in complex with 5172-Linear (MK-5172 linear analogue) | Descriptor: | CHLORIDE ION, NS3 protease, ZINC ION, ... | Authors: | Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Aydin, C, Schiffer, C.A. | Deposit date: | 2015-11-18 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172. Acs Chem.Biol., 11, 2016
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1DEF
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5SVQ
| Crystal structure of the ATP-gated human P2X3 ion channel bound to competitive antagonist TNP-ATP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, P2X purinoceptor 3, ... | Authors: | Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. | Deposit date: | 2016-08-07 | Release date: | 2016-10-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | X-ray structures define human P2X3 receptor gating cycle and antagonist action. Nature, 538, 2016
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5FWG
| TETRA-(5-FLUOROTRYPTOPHANYL)-GLUTATHIONE TRANSFERASE | Descriptor: | (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, TETRA-(5-FLUOROTRYPTOPHANYL)-GLUTATHIONE TRANSFERASE MU CLASS | Authors: | Parsons, J.F, Xiao, G, Armstrong, R.N, Gilliland, G.L. | Deposit date: | 1997-11-08 | Release date: | 1999-01-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enzymes harboring unnatural amino acids: mechanistic and structural analysis of the enhanced catalytic activity of a glutathione transferase containing 5-fluorotryptophan. Biochemistry, 37, 1998
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1CZA
| MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE, GLUCOSE-6-PHOSPHATE, AND ADP | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, HEXOKINASE TYPE I, ... | Authors: | Aleshin, A.E, Liu, X, Kirby, C, Bourenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B. | Deposit date: | 1999-09-01 | Release date: | 2000-03-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of mutant monomeric hexokinase I reveal multiple ADP binding sites and conformational changes relevant to allosteric regulation. J.Mol.Biol., 296, 2000
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1D7W
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5U48
| Wild-type Transthyretin in complex with 5-[(1E)-2-(4-Boronic acid)ethenyl]-1,3-benzenediol | Descriptor: | Transthyretin, {4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid | Authors: | Windsor, I.W, Smith, T.P, Raines, R.T, Forest, K.T. | Deposit date: | 2016-12-03 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation. J. Med. Chem., 60, 2017
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1MTC
| GLUTATHIONE TRANSFERASE MUTANT Y115F | Descriptor: | (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, Glutathione S-transferase YB1 | Authors: | Ladner, J.E, Xiao, G, Armstrong, R.N, Gilliland, G.L. | Deposit date: | 2002-09-20 | Release date: | 2003-03-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Local protein dynamics and catalysis: detection of segmental motion associated with rate-limiting product release by a glutathione transferase Biochemistry, 41, 2002
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5U4A
| Wild-type Transthyretin in complex with 5-[(1E)-2-(2-Chloro-4-boronic acid)ethenyl]-1,3-benzenediol | Descriptor: | Transthyretin, {3-chloro-4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid | Authors: | Windsor, I.W, Smith, T.P, Raines, R.T, Forest, K.T. | Deposit date: | 2016-12-03 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation. J. Med. Chem., 60, 2017
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5U4G
| Wild-type Transthyretin in complex with 2-Boronic Acid-1-[(1E)-2-(3-boronic acid)ethenyl]-4-chlorobenzene | Descriptor: | (3-{(E)-2-[2-chloro-4-(hydroxyboranyl)phenyl]ethenyl}phenyl)boronic acid, Transthyretin | Authors: | Windsor, I.W, Smith, T.P, Raines, R.T, Forest, K.T. | Deposit date: | 2016-12-03 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation. J. Med. Chem., 60, 2017
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1O76
| CYANIDE COMPLEX OF P450CAM FROM PSEUDOMONAS PUTIDA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYANIDE ION, ... | Authors: | Fedorov, R, Ghosh, D, Schlichting, I. | Deposit date: | 2002-10-23 | Release date: | 2002-12-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Cyanide Complexes of P450Cam and the Oxygenase Domain of Inducible Nitric Oxide Synthase-Structural Models of the Short-Lived Oxygen Complexes Arch.Biochem.Biophys., 409, 2003
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5SWG
| Crystal Structure of PI3Kalpha in complex with fragments 5 and 21 | Descriptor: | 1H-benzimidazol-2-amine, CATECHOL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | Deposit date: | 2016-08-08 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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1PRH
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5U97
| Crystal structure of Co-CAO1 in complex with piceatannol | Descriptor: | BENZOIC ACID, COBALT (II) ION, Carotenoid oxygenase 1, ... | Authors: | Sui, X, Palczewski, K, Banerjee, S, Kiser, P.D. | Deposit date: | 2016-12-15 | Release date: | 2017-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure and Spectroscopy of Alkene-Cleaving Dioxygenases Containing an Atypically Coordinated Non-Heme Iron Center. Biochemistry, 56, 2017
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1GYN
| Class II fructose 1,6-bisphosphate aldolase with Cadmium (not Zinc) in the active site | Descriptor: | CADMIUM ION, FRUCTOSE-BISPHOSPHATE ALDOLASE II | Authors: | Hall, D.R, Kemp, L.E, Leonard, G.A, Berry, A, Hunter, W.N. | Deposit date: | 2002-04-27 | Release date: | 2003-02-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Organization of Divalent Cations in the Active Site of Cadmium Escherichia Coli Fructose 1,6-Bisphosphate Aldolase Acta Crystallogr.,Sect.D, 59, 2003
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4FVC
| HmoB structure with heme | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Putative uncharacterized protein yhgC | Authors: | Park, S. | Deposit date: | 2012-06-29 | Release date: | 2013-07-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of HmoB with Heme To be Published
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4HMN
| Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (4-(4-Chlorophenyl)piperazin-1-yl)(morpholino)methanone (24) | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Turnbull, A.P, Flanagan, J.U, Atwell, G.J, Heinrich, D.M, Jamieson, S.M.F, Brooke, D.G, Silva, S, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Denny, W.A. | Deposit date: | 2012-10-18 | Release date: | 2013-11-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Morpholylureas are a new class of potent and selective inhibitors of the type 5 17-beta-hydroxysteroid dehydrogenase (AKR1C3). Bioorg.Med.Chem., 22, 2014
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1S01
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4JIS
| Crystal structure of ribitol 5-phosphate cytidylyltransferase (TarI) from Bacillus subtilis | Descriptor: | ribitol-5-phosphate cytidylyltransferase | Authors: | Yang, C.S, Chen, S.C, Chen, Y.R, Kuan, S.M, Liu, Y.H, Chen, Y. | Deposit date: | 2013-03-06 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.772 Å) | Cite: | Crystal structure of ribitol 5-phosphate cytidylyltransferase (TarI) from Bacillus subtilis To be Published
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2DVB
| Crystal structure of peanut lectin GAl-beta-1,6-GalNAc complex | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Natchiar, S.K, Srinivas, O, Mitra, N, Surolia, A, Jayaraman, N, Vijayan, M. | Deposit date: | 2006-07-30 | Release date: | 2006-11-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural studies on peanut lectin complexed with disaccharides involving different linkages: further insights into the structure and interactions of the lectin ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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2DVF
| Crystals of peanut lectin grown in the presence of GAL-ALPHA-1,3-GAL-BETA-1,4-GAL | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Natchiar, S.K, Srinivas, O, Mitra, N, Surolia, A, Jayaraman, N, Vijayan, M. | Deposit date: | 2006-07-31 | Release date: | 2006-11-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Structural studies on peanut lectin complexed with disaccharides involving different linkages: further insights into the structure and interactions of the lectin ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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2TDX
| DIPHTHERIA TOX REPRESSOR (C102D MUTANT) COMPLEXED WITH NICKEL | Descriptor: | DIPHTHERIA TOX REPRESSOR, NICKEL (II) ION | Authors: | White, A, Ding, X, Zheng, H, Schiering, N, Ringe, D, Murphy, J.R. | Deposit date: | 1998-06-22 | Release date: | 1998-10-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the metal-ion-activated diphtheria toxin repressor/tox operator complex. Nature, 394, 1998
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2DVD
| Crystal structure of peanut lectin GAL-ALPHA-1,3-GAL complex | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Natchiar, S.K, Srinivas, O, Mitra, N, Surolia, A, Jayaraman, N, Vijayan, M. | Deposit date: | 2006-07-31 | Release date: | 2006-11-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural studies on peanut lectin complexed with disaccharides involving different linkages: further insights into the structure and interactions of the lectin ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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