8X2P
 
 | | The Crystal Structure of LCK from Biortus. | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, TETRAETHYLENE GLYCOL, ... | | 著者 | Wang, F, Cheng, W, Lv, Z, Meng, Q, Lu, Y. | | 登録日 | 2023-11-10 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | The Crystal Structure of LCK from Biortus.
To Be Published
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4ZMW
 | | Crystal structure of human P-cadherin (enc-X-dimer) | | 分子名称: | CALCIUM ION, Cadherin-3, NICKEL (II) ION, ... | | 著者 | Caaveiro, J.M.M, Kudo, S, Tsumoto, K. | | 登録日 | 2015-05-04 | | 公開日 | 2016-09-07 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
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4ZK5
 | | MAP4K4 in complex with inhibitor GNE-495 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-amino-N-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide, MAGNESIUM ION, ... | | 著者 | Harris, S.F, Wu, P, Coons, M. | | 登録日 | 2015-04-29 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Structure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis.
Acs Med.Chem.Lett., 6, 2015
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5TKY
 | | Crystal structure of the co-translational Hsp70 chaperone Ssb in the ATP-bound, open conformation | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Putative uncharacterized protein | | 著者 | Gumiero, A, Gese, G.V, Weyer, F.A, Lapouge, K, Sinning, I. | | 登録日 | 2016-10-10 | | 公開日 | 2016-11-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Interaction of the cotranslational Hsp70 Ssb with ribosomal proteins and rRNA depends on its lid domain.
Nat Commun, 7, 2016
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6G33
 | | Crystal structure of CLK1 in complex with 5-iodotubercidin | | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Dual specificity protein kinase CLK1, IODIDE ION, ... | | 著者 | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-03-24 | | 公開日 | 2018-04-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018
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8X5Z
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5TCA
 | | Complement Factor D inhibited with JH3 | | 分子名称: | 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide, Complement factor D | | 著者 | Stuckey, J.A. | | 登録日 | 2016-09-14 | | 公開日 | 2016-10-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Buried Hydrogen Bond Interactions Contribute to the High Potency of Complement Factor D Inhibitors.
ACS Med Chem Lett, 7, 2016
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4O6E
 | | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2 | | 分子名称: | 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 | | 著者 | Yin, J, Wang, W. | | 登録日 | 2013-12-20 | | 公開日 | 2014-05-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2.
Bioorg.Med.Chem.Lett., 24, 2014
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6T0J
 | | Crystal structure of CYP124 in complex with SQ109 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, GLYCEROL, ... | | 著者 | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2019-10-03 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Hydroxylation of Antitubercular Drug Candidate, SQ109, by Mycobacterial Cytochrome P450.
Int J Mol Sci, 21, 2020
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4ZLS
 | | HIV-1 wild Type protease with GRL-096-13A (a Boc-derivative P2-Ligand, 3,-5-dimethylbiphenyl P1-Ligand) | | 分子名称: | ACETATE ION, CHLORIDE ION, Protease, ... | | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | 登録日 | 2015-05-01 | | 公開日 | 2015-07-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Structure-Based Design of Potent HIV-1 Protease Inhibitors with Modified P1-Biphenyl Ligands: Synthesis, Biological Evaluation, and Enzyme-Inhibitor X-ray Structural Studies.
J.Med.Chem., 58, 2015
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4ZES
 | | Blood dendritic cell antigen 2 (BDCA-2) complexed with methyl-mannoside | | 分子名称: | C-type lectin domain family 4 member C, CALCIUM ION, MAGNESIUM ION, ... | | 著者 | Jegouzo, S.A.F, Feinberg, H, Dungarwalla, T, Drickamer, K, Weis, W.I, Taylor, M.E. | | 登録日 | 2015-04-20 | | 公開日 | 2015-05-27 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | A Novel Mechanism for Binding of Galactose-terminated Glycans by the C-type Carbohydrate Recognition Domain in Blood Dendritic Cell Antigen 2.
J.Biol.Chem., 290, 2015
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6SR0
 | | X-ray pump X-ray probe on lysozyme.Gd nanocrystals: single colour reference data | | 分子名称: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | | 著者 | Kloos, M, Gorel, A, Nass, K. | | 登録日 | 2019-09-04 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
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5V62
 | | Phospho-ERK2 bound to bivalent inhibitor SBP3 | | 分子名称: | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, GLYCEROL, Mitogen-activated protein kinase 1, ... | | 著者 | Lechtenberg, B.C, Riedl, S.J. | | 登録日 | 2017-03-15 | | 公開日 | 2017-07-26 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors.
ACS Med Chem Lett, 8, 2017
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6FDY
 | | Unc-51-Like Kinase 3 (ULK3) In Complex With Bosutinib | | 分子名称: | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Serine/threonine-protein kinase ULK3 | | 著者 | Mathea, S, Salah, E, Moroglu, M, Scorah, A, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Knapp, S. | | 登録日 | 2017-12-27 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Unc-51-Like Kinase 3 (ULK3) In Complex With Bosutinib
To Be Published
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4ZMT
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6SK9
 | | Nek2 bound to purine compound 51 | | 分子名称: | 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, GLYCEROL, Serine/threonine-protein kinase Nek2 | | 著者 | Bayliss, R, Byrne, M.J, Mas-Droux, C. | | 登録日 | 2019-08-15 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine.
Biochem.J., 477, 2020
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6SKD
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4ZPG
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4ZHH
 | | Siderocalin-mediated recognition and cellular uptake of actinides | | 分子名称: | CHLORIDE ION, GLYCEROL, N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide], ... | | 著者 | Allred, B.E, Rupert, P.B, Gauny, S.S, An, D.D, Ralston, C.Y, Sturzbecher-Hoehne, M, Strong, R.K, Abergel, R.J. | | 登録日 | 2015-04-24 | | 公開日 | 2015-08-05 | | 最終更新日 | 2015-09-02 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Siderocalin-mediated recognition, sensitization, and cellular uptake of actinides.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4ZR2
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5USJ
 | | Crystal Structure of human KRAS G12D mutant in complex with GDPNP | | 分子名称: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | 著者 | Huang, C.S, Kaplan, A, Stockwell, B.R, Tong, L. | | 登録日 | 2017-02-13 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Multivalent Small-Molecule Pan-RAS Inhibitors.
Cell, 168, 2017
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5UT7
 | | Wild-type sperm whale myoglobin with nitrite | | 分子名称: | GLYCEROL, Myoglobin, NITRITE ION, ... | | 著者 | Wang, B, Thomas, L.M, Richter-Addo, G.B. | | 登録日 | 2017-02-14 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
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4ZIR
 | | Crystal structure of EcfAA' heterodimer bound to AMPPNP | | 分子名称: | CHLORIDE ION, Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, ... | | 著者 | Karpowich, N.K, Cocco, N, Song, J.M, Wang, D.N. | | 登録日 | 2015-04-28 | | 公開日 | 2015-06-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | ATP binding drives substrate capture in an ECF transporter by a release-and-catch mechanism.
Nat.Struct.Mol.Biol., 22, 2015
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6SUX
 | | Terahertz irradiated structure of bovine trypsin (even frames of crystal x37) | | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Ahlberg Gagner, V, Lundholm, I, Jose-Garcia, M.J, Rodilla, H, Friedman, R, Zhaunerchyk, V, Bourenkov, G, Schneider, T, Stake, J, Katona, G. | | 登録日 | 2019-09-17 | | 公開日 | 2020-01-22 | | 最終更新日 | 2020-01-29 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Clustering of atomic displacement parameters in bovine trypsin reveals a distributed lattice of atoms with shared chemical properties.
Sci Rep, 9, 2019
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6SNN
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with benzoic acid | | 分子名称: | BENZOIC ACID, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Oebbeke, M, Merkl, S, Siefker, C, Heine, A, Klebe, G. | | 登録日 | 2019-08-27 | | 公開日 | 2020-09-09 | | 最終更新日 | 2020-12-30 | | 実験手法 | X-RAY DIFFRACTION (1.817 Å) | | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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