5H1E
| Interaction between vitamin D receptor and coactivator peptide SRC2-3 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Nuclear receptor coactivator 2 peptide, Vitamin D3 receptor | Authors: | Egawa, D, Itoh, T, Kato, A, Kataoka, S, Anami, Y, Yamamoto, K. | Deposit date: | 2016-10-08 | Release date: | 2017-01-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | SRC2-3 binds to vitamin D receptor with high sensitivity and strong affinity Bioorg. Med. Chem., 25, 2017
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4ZKK
| The novel double-fold structure of d(GCATGCATGC) | Descriptor: | COBALT (II) ION, DNA (5'-D(*GP*CP*AP*TP*GP*CP*AP*TP*GP*C)-3') | Authors: | Thirugnanasambandam, A, Karthik, S, Mandal, P.K, Gautham, N. | Deposit date: | 2015-04-30 | Release date: | 2015-10-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | The novel double-folded structure of d(GCATGCATGC): a possible model for triplet-repeat sequences Acta Crystallogr.,Sect.D, 71, 2015
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5FHL
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6QUG
| GHK tagged MBP-Nup98(1-29) | Descriptor: | COPPER (II) ION, Maltodextrin-binding protein,Nucleoporin, putative, ... | Authors: | Huyton, T, Gorlich, D. | Deposit date: | 2019-02-27 | Release date: | 2020-05-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The copper(II)-binding tripeptide GHK, a valuable crystallization and phasing tag for macromolecular crystallography. Acta Crystallogr D Struct Biol, 76, 2020
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3EKK
| Insulin receptor kinase complexed with an inhibitor | Descriptor: | 2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide, Insulin receptor | Authors: | Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Sabbatini, P, Shewchuk, L. | Deposit date: | 2008-09-19 | Release date: | 2008-12-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidines: Potent inhibitors of the IGF-1R receptor tyrosine kinase. Bioorg.Med.Chem.Lett., 19, 2009
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3ELJ
| Jnk1 complexed with a bis-anilino-pyrrolopyrimidine inhibitor. | Descriptor: | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide, Mitogen-activated protein kinase 8 | Authors: | Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Shewchuk, L, Vicentini, G, Mosley, J. | Deposit date: | 2008-09-22 | Release date: | 2008-12-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity. Bioorg.Med.Chem.Lett., 19, 2009
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143D
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6AVL
| Orthorhombic Trypsin (295 K) in the presence of 50% xylose | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Juers, D.H. | Deposit date: | 2017-09-02 | Release date: | 2017-09-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order. Acta Crystallogr D Struct Biol, 74, 2018
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6B6Q
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4YCR
| Structure determination of an integral membrane protein at room temperature from crystals in situ | Descriptor: | Tellurite resistance protein TehA homolog, octyl beta-D-glucopyranoside | Authors: | Axford, D, Hu, N.J, Foadi, J, Choudhury, H.G, Iwata, S, Beis, K, Evans, G, Alguel, Y. | Deposit date: | 2015-02-20 | Release date: | 2015-06-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure determination of an integral membrane protein at room temperature from crystals in situ. Acta Crystallogr.,Sect.D, 71, 2015
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7CHT
| Crystal structure of TTK kinase domain in complex with compound 30 | Descriptor: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK, MAGNESIUM ION | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Ko, E.H, Choi, H.G, Son, J.B, Kim, N.D. | Deposit date: | 2020-07-06 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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3JY0
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3DYI
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3JYA
| Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors | Descriptor: | 6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1 | Authors: | Stoll, V.S. | Deposit date: | 2009-09-21 | Release date: | 2009-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors TO BE PUBLISHED
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6B6P
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3JXW
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7BKO
| Crystal structure of CHK1 complex with compound 9 | Descriptor: | 1H-pyrazolo[3,4-d]pyrimidin-4-amine, Serine/threonine-protein kinase Chk1 | Authors: | Baker, L.M, Surgenor, A.E, Williamson, D.S. | Deposit date: | 2021-01-16 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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3EKN
| Insulin receptor kinase complexed with an inhibitor | Descriptor: | 2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide, Insulin receptor | Authors: | Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Shewchuk, L. | Deposit date: | 2008-09-19 | Release date: | 2008-12-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity. Bioorg.Med.Chem.Lett., 19, 2009
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5M6O
| Frutapin complexed with alpha-D-mannose | Descriptor: | Frutapin, alpha-D-mannopyranose | Authors: | de Sousa, F.D, Guo, J, Coker, A.R, de Oliveira Monteiro-Moreira, A, de Azevedo Moreira, R. | Deposit date: | 2016-10-25 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Frutapin, a lectin fromArtocarpus incisa(breadfruit): cloning, expression and molecular insights. Biosci. Rep., 37, 2017
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5BU6
| Structure of BpsB deaceylase domain from Bordetella bronchiseptica | Descriptor: | 1,2-ETHANEDIOL, BpsB (PgaB), Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase, ... | Authors: | Little, D.J, Bamford, N.C, Howell, P.L. | Deposit date: | 2015-06-03 | Release date: | 2015-07-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | The Protein BpsB Is a Poly-beta-1,6-N-acetyl-d-glucosamine Deacetylase Required for Biofilm Formation in Bordetella bronchiseptica. J.Biol.Chem., 290, 2015
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6D5Q
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6D5R
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6D5N
| Hexagonal thermolysin (295) in the presence of 50% xylose | Descriptor: | CALCIUM ION, LYSINE, Thermolysin, ... | Authors: | Juers, D.H. | Deposit date: | 2018-04-19 | Release date: | 2018-10-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.00003672 Å) | Cite: | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order. Acta Crystallogr D Struct Biol, 74, 2018
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4O6E
| Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2 | Descriptor: | Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide | Authors: | Yin, J, Wang, W. | Deposit date: | 2013-12-20 | Release date: | 2014-05-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2. Bioorg.Med.Chem.Lett., 24, 2014
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8W3A
| Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S variant with trans heme D | Descriptor: | Group 1 truncated hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, {3-[(2R,5'R)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato}iron | Authors: | Lecomte, J.T.J, Schlessman, J.L, Schultz, T.D, Siegler, M.A. | Deposit date: | 2024-02-22 | Release date: | 2024-04-03 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Heme d formation in a Shewanella benthica hemoglobin. J.Inorg.Biochem., 259, 2024
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