1XC5
| Solution Structure of the SMRT Deacetylase Activation Domain | Descriptor: | Nuclear receptor corepressor 2 | Authors: | Codina, A, Love, J.D, Li, Y, Lazar, M.A, Neuhaus, D, Schwabe, J.W.R. | Deposit date: | 2004-09-01 | Release date: | 2005-05-03 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural insights into the interaction and activation of histone deacetylase 3 by nuclear receptor corepressors Proc.Natl.Acad.Sci.Usa, 102, 2005
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1XD4
| Crystal structure of the DH-PH-cat module of Son of Sevenless (SOS) | Descriptor: | Son of sevenless protein homolog 1 | Authors: | Sondermann, H, Soisson, S.M, Boykevisch, S, Yang, S.S, Bar-Sagi, D, Kuriyan, J. | Deposit date: | 2004-09-03 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.64 Å) | Cite: | Structural analysis of autoinhibition in the ras activator son of sevenless. Cell(Cambridge,Mass.), 119, 2004
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1XI6
| Extragenic suppressor from Pyrococcus furiosus Pfu-1862794-001 | Descriptor: | extragenic suppressor | Authors: | Zhao, M, Chang, J.C, Zhou, W, Chen, L, Horanyi, P, Xu, H, Yang, H, Liu, Z.-J, Habel, J.E, Lee, D, Chang, S.-H, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-09-21 | Release date: | 2004-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Extragenic suppressor from Pyrococcus furiosus Pfu-1862794-001 To be published
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4RGA
| Phage 1358 receptor binding protein in complex with the trisaccharide GlcNAc-Galf-GlcOMe | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-galactofuranose-(1-6)-methyl alpha-D-glucopyranoside, Phage 1358 receptor binding protein (ORF20) | Authors: | Spinelli, S, Mccabe, O, Farenc, C, Tremblay, D, Blangy, S, Oscarson, S, Moineau, S, Cambillau, C. | Deposit date: | 2014-09-29 | Release date: | 2015-05-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The targeted recognition of Lactococcus lactis phages to their polysaccharide receptors. Mol.Microbiol., 96, 2015
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6YZH
| Crystal structure of P8C9 bound to CK2alpha | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, GLYCEROL, ... | Authors: | Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2020-05-07 | Release date: | 2021-05-19 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Development of small cyclic peptides targeting the CK2 alpha / beta interface. Chem.Commun.(Camb.), 58, 2022
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1XKK
| EGFR kinase domain complexed with a quinazoline inhibitor- GW572016 | Descriptor: | Epidermal growth factor receptor, N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE, PHOSPHATE ION | Authors: | Wood, E.R, Truesdale, A.T, McDonald, O.B, Yuan, D, Hassell, A, Dickerson, S.H, Ellis, B, Pennisi, C, Horne, E, Lackey, K, Alligood, K.J, Rusnak, D.W, Gilmer, T.M, Shewchuk, L.M. | Deposit date: | 2004-09-29 | Release date: | 2004-12-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A unique structure for epidermal growth factor receptor bound to GW572016 (Lapatinib): relationships among protein conformation, inhibitor off-rate, and receptor activity in tumor cells. Cancer Res., 64, 2004
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6Q7C
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL11 | Descriptor: | 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-12-13 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.049 Å) | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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7UFG
| Cryo-EM structure of PAPP-A in complex with IGFBP5 | Descriptor: | Insulin-like growth factor-binding protein 5, Pappalysin-1, ZINC ION | Authors: | Judge, R.A, Jain, R, Hao, Q, Ouch, C, Sridar, J, Smith, C.L, Wang, J.C.K, Eaton, D. | Deposit date: | 2022-03-22 | Release date: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structure of the PAPP-ABP5 complex reveals mechanism of substrate recognition Nat Commun, 13, 2022
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6QAA
| Human Butyrylcholinesterase in complex with (S)-2-(butylamino)-N-(2-cycloheptylethyl)-3-(1H-indol-3-yl)propanamide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Nachon, F, Harst, M, Knez, D, Gobec, S. | Deposit date: | 2018-12-19 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease. Chem.Commun.(Camb.), 55, 2019
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6QAG
| ERK2 mini-fragment binding | Descriptor: | 1~{H}-1,2,3-triazole, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-19 | Release date: | 2019-03-27 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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1Y7I
| Structural and biochemical studies identify tobacco SABP2 as a methylsalicylate esterase and further implicate it in plant innate immunity, Northeast Structural Genomics Target AR2241 | Descriptor: | 2-HYDROXYBENZOIC ACID, salicylic acid-binding protein 2 | Authors: | Forouhar, F, Yang, Y, Kumar, D, Chen, Y, Fridman, E, Park, S.W, Chiang, Y, Acton, T.B, Montelione, G.T, Pichersky, E, Klessig, D.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-12-08 | Release date: | 2004-12-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity Proc.Natl.Acad.Sci.USA, 102, 2005
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6Q34
| Dye type peroxidase Aa from Streptomyces lividans: 196 kGy structure | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | Deposit date: | 2018-12-03 | Release date: | 2019-07-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins. Iucrj, 6, 2019
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4R1V
| Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors | Descriptor: | 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor | Authors: | Blaukat, A, Bladt, F, Friese-Hamim, M, Knuehl, C, Fittschen, C, Graedler, U, Meyring, M, Dorsch, D, Stieber, F, Schadt, O. | Deposit date: | 2014-08-07 | Release date: | 2015-03-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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1Y9Z
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1YC9
| The crystal structure of the outer membrane protein VceC from the bacterial pathogen Vibrio cholerae at 1.8 resolution | Descriptor: | MERCURY (II) ION, multidrug resistance protein, octyl beta-D-glucopyranoside | Authors: | Federici, L, Du, D, Walas, F, Matsumura, H, Fernandez-Recio, J, McKeegan, K.S, Borges-Walmsley, M.I, Luisi, B.F, Walmsley, A.R. | Deposit date: | 2004-12-22 | Release date: | 2005-03-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of the outer membrane protein VCEC from the bacterial pathogen vibrio cholerae at 1.8 A resolution J.Biol.Chem., 280, 2005
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4RH8
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4R3S
| Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with MSP2 11-23 | Descriptor: | FV FRAGMENT(MAB6D8) HEAVY CHAIN, FV FRAGMENT(MAB6D8) LIGHT CHAIN, Merozoite surface protein | Authors: | Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S. | Deposit date: | 2014-08-18 | Release date: | 2015-06-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate Sci Rep, 5, 2015
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4RHB
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6Z19
| Crystal structure of P8C9 bound to CK2alpha | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ... | Authors: | Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2020-05-13 | Release date: | 2021-05-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Development of small cyclic peptides targeting the CK2 alpha / beta interface. Chem.Commun.(Camb.), 58, 2022
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1YF0
| Structural and biochemical analysis of the link between enzymatic activity and oligomerization in AhpC, a bacterial peroxiredoxin. | Descriptor: | Alkyl hydroperoxide reductase subunit C, SULFATE ION | Authors: | Parsonage, D, Youngblood, D.S, Sarma, G.N, Wood, Z.A, Karplus, P.A, Poole, L.B. | Deposit date: | 2004-12-29 | Release date: | 2005-08-16 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Analysis of the Link between Enzymatic Activity and Oligomeric State in AhpC, a Bacterial Peroxiredoxin. Biochemistry, 44, 2005
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6Q05
| MERS-CoV S structure in complex with sialyl-lewisX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, ... | Authors: | Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2019-08-01 | Release date: | 2019-12-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors. Nat.Struct.Mol.Biol., 26, 2019
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6Q8P
| Structure of CLK1 with bound N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine | Descriptor: | Dual specificity protein kinase CLK1, POTASSIUM ION, ~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine | Authors: | Joerger, A.C, Chatterjee, D, Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Josselin, B, Baratte, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-15 | Release date: | 2019-02-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis. Eur J Med Chem, 166, 2019
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1Y2D
| Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 1-(4-methoxy-phenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester | Descriptor: | 1,2-ETHANEDIOL, 1-(4-METHOXYPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | Deposit date: | 2004-11-22 | Release date: | 2005-03-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design Nat.Biotechnol., 23, 2005
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6Q27
| N-acetylmannosamine kinase with N-acetylmannosamine from Staphylococcus aureus | Descriptor: | 2-acetamido-2-deoxy-alpha-D-mannopyranose, Glucokinase | Authors: | Coombes, D, Horne, C.R, Davies, J.S, Dobson, R.C.J. | Deposit date: | 2019-08-07 | Release date: | 2020-01-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The basis for non-canonical ROK family function in theN-acetylmannosamine kinase from the pathogenStaphylococcus aureus. J.Biol.Chem., 295, 2020
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2OC2
| Structure of testis ACE with RXPA380 | Descriptor: | Angiotensin-converting enzyme, somatic isoform, CHLORIDE ION, ... | Authors: | Corradi, H.R, Anthony, C.S, Schwager, S.L, Redelinghuys, P, Georgiadis, D, Dive, V, Acharya, K.R, Sturrock, E.D. | Deposit date: | 2006-12-20 | Release date: | 2007-05-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The structure of testis angiotensin-converting enzyme in complex with the C domain-specific inhibitor RXPA380. Biochemistry, 46, 2007
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