6M7K
 
 | | Structure of mouse RECON (AKR1C13) in complex with cyclic AMP-AMP-GMP (cAAG) | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C13, cyclic AMP-AMP-GMP | | Authors: | Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J. | | Deposit date: | 2018-08-20 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Bacterial cGAS-like enzymes synthesize diverse nucleotide signals.
Nature, 567, 2019
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6M91
 | | Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-103094 ternary complex | | Descriptor: | 3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid, CHLORIDE ION, Catenin beta-1, ... | | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J. | | Deposit date: | 2018-08-22 | | Release date: | 2019-04-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
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1F6Y
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6LSN
 | | Crystal structure of tubulin-inhibitor complex | | Descriptor: | 2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Gang, L, Wang, Y.X, Cheng, J.J. | | Deposit date: | 2020-01-17 | | Release date: | 2021-01-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.445 Å) | | Cite: | Design, Synthesis, and Bioevaluation of Pyrazolo[1,5-a]Pyrimidine Derivatives as Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site with Potent Anticancer Activities
To Be Published
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6M90
 | | Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2776 ternary complex | | Descriptor: | 2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ... | | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J. | | Deposit date: | 2018-08-22 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
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1J7P
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1JA0
 | | CYPOR-W677X | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Hubbard, P.A, Shen, A.L, Paschke, R, Kasper, C.B, Kim, J.J. | | Deposit date: | 2001-05-29 | | Release date: | 2001-08-22 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | NADPH-cytochrome P450 oxidoreductase. Structural basis for hydride and electron transfer.
J.Biol.Chem., 276, 2001
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1J9Z
 | | CYPOR-W677G | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Hubbard, P.A, Shen, A.L, Paschke, R, Kasper, C.B, Kim, J.J. | | Deposit date: | 2001-05-29 | | Release date: | 2001-08-22 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | NADPH-cytochrome P450 oxidoreductase. Structural basis for hydride and electron transfer.
J.Biol.Chem., 276, 2001
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1JCO
 | | Solution structure of the monomeric [Thr(B27)->Pro,Pro(B28)->Thr] insulin mutant (PT insulin) | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Keller, D, Clausen, R, Josefsen, K, Led, J.J. | | Deposit date: | 2001-06-11 | | Release date: | 2001-10-03 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Flexibility and bioactivity of insulin: an NMR investigation of the solution structure and folding of an unusually flexible human insulin mutant with increased biological activity.
Biochemistry, 40, 2001
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1JL9
 | | Crystal Structure of Human Epidermal Growth Factor | | Descriptor: | EPIDERMAL GROWTH FACTOR | | Authors: | Lu, H.S, Chai, J.J, Li, M, Huang, B.R, He, C.H, Bi, R.C. | | Deposit date: | 2001-07-16 | | Release date: | 2001-10-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of human epidermal growth factor and its dimerization
J.Biol.Chem., 276, 2001
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1JRP
 | | Crystal Structure of Xanthine Dehydrogenase inhibited by alloxanthine from Rhodobacter capsulatus | | Descriptor: | CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Truglio, J.J, Theis, K, Leimkuhler, S, Rappa, R, Rajagopalan, K.V, Kisker, C. | | Deposit date: | 2001-08-14 | | Release date: | 2002-01-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of the active and alloxanthine-inhibited forms of xanthine dehydrogenase from Rhodobacter capsulatus
Structure, 10, 2002
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1JSI
 | | CRYSTAL STRUCTURE OF H9 HAEMAGGLUTININ BOUND TO LSTC RECEPTOR ANALOG | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ha, Y, Stevens, D.J, Skehel, J.J, Wiley, D.C. | | Deposit date: | 2001-08-17 | | Release date: | 2001-09-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray structures of H5 avian and H9 swine influenza virus hemagglutinins bound to avian and human receptor analogs.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1JNI
 | | Structure of the NapB subunit of the periplasmic nitrate reductase from Haemophilus influenzae. | | Descriptor: | DIHEME CYTOCHROME C NAPB, HEME C | | Authors: | Brige, A, Leys, D, Meyer, T.E, Cusanovich, M.A, Van Beeumen, J.J. | | Deposit date: | 2001-07-24 | | Release date: | 2002-05-17 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The 1.25 A resolution structure of the diheme NapB subunit of soluble nitrate reductase reveals a novel cytochrome c fold with a stacked heme arrangement.
Biochemistry, 41, 2002
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1JSN
 | | STRUCTURE OF AVIAN H5 HAEMAGGLUTININ COMPLEXED WITH LSTA RECEPTRO ANALOG | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ (HA1 CHAIN), ... | | Authors: | Ha, Y, Stevens, D.J, Skehel, J.J, Wiley, D.C. | | Deposit date: | 2001-08-17 | | Release date: | 2001-09-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray structures of H5 avian and H9 swine influenza virus hemagglutinins bound to avian and human receptor analogs.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1JWT
 | | CRYSTAL STRUCTURE OF THROMBIN IN COMPLEX WITH A NOVEL BICYCLIC LACTAM INHIBITOR | | Descriptor: | 4-OXO-2-PHENYLMETHANESULFONYL-OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBOXYLIC ACID [1-(N-HYDROXYCARBAMIMIDOYL)-PIPERIDIN-4-YLMETHYL]-AMIDE, Prothrombin | | Authors: | Levesque, S, St-Denis, Y, Bachand, B, Preville, P, Leblond, L, Winocour, P.D, Edmunds, J.J, Rubin, J.R, Siddiqui, M.A. | | Deposit date: | 2001-09-05 | | Release date: | 2002-02-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Novel bicyclic lactam inhibitors of thrombin: potency and selectivity optimization through P1 residues.
Bioorg.Med.Chem.Lett., 11, 2001
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1IC9
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1JA1
 | | CYPOR-Triple Mutant | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Hubbard, P.A, Shen, A.L, Paschke, R, Kasper, C.B, Kim, J.J. | | Deposit date: | 2001-05-29 | | Release date: | 2001-08-22 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | NADPH-cytochrome P450 oxidoreductase. Structural basis for hydride and electron transfer.
J.Biol.Chem., 276, 2001
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6DNV
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1JOC
 | | EEA1 homodimer of C-terminal FYVE domain bound to inositol 1,3-diphosphate | | Descriptor: | Early Endosomal Autoantigen 1, PHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-5-PHOSPHONOOXY-CYCLOHEXYL) ESTER, ZINC ION | | Authors: | Dumas, J.J, Merithew, E, Rajamani, D, Hayes, S, Lawe, D, Corvera, S, Lambright, D.G. | | Deposit date: | 2001-07-27 | | Release date: | 2001-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Multivalent endosome targeting by homodimeric EEA1.
Mol.Cell, 8, 2001
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1ICO
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1KVK
 | | The Structure of Binary complex between a Mammalian Mevalonate Kinase and ATP: Insights into the Reaction Mechanism and Human Inherited Disease | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, mevalonate kinase | | Authors: | Fu, Z, Wang, M, Potter, D, Mizioko, H.M, Kim, J.J. | | Deposit date: | 2002-01-26 | | Release date: | 2002-03-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Structure of a Binary complex
between a Mammalian Mevalonate Kinase and ATP: Insights into the
Reaction Mechanism and Human Inherited Disease
J.Biol.Chem., 277, 2002
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4GPO
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6DPS
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5FSM
 | | MTH1 substrate recognition: Complex with a methylbenzimidazolyl acetamide. | | Descriptor: | 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | | Deposit date: | 2016-01-06 | | Release date: | 2016-07-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
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5FSO
 | | MTH1 substrate recognition: Complex with a methylaminopyrimidinedione. | | Descriptor: | 6-(METHYLAMINO)-1H-PYRIMIDINE-2,4-DIONE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, ... | | Authors: | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | | Deposit date: | 2016-01-06 | | Release date: | 2017-01-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | MTH1 Substrate Recognition--An Example of Specific Promiscuity.
PLoS ONE, 11, 2016
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