2Y1Z
 
 | | Human alphaB Crystallin ACD R120G | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ALPHA-CRYSTALLIN B CHAIN | | 著者 | Clark, A.R, Bagneris, C, Naylor, C.E, Keep, N.H, Slingsby, C. | | 登録日 | 2010-12-10 | | 公開日 | 2011-03-02 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal Structure of R120G Disease Mutant of Human Alphab-Crystallin Domain Dimer Shows Closure of a Groove
J.Mol.Biol., 408, 2011
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2XIY
 | | Protein kinase Pim-1 in complex with fragment-2 from crystallographic fragment screen | | 分子名称: | 2-HYDROXYMETHYL-BENZOIMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | 登録日 | 2010-07-01 | | 公開日 | 2011-02-23 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
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5VCV
 | | CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH Dasatinib | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | | 著者 | Zhu, J.-Y, Martin, M.P, Schonbrunn, E. | | 登録日 | 2017-04-01 | | 公開日 | 2017-08-23 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
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5VD4
 | | CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-016, a MK1775 analougue | | 分子名称: | 1,2-ETHANEDIOL, 6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ... | | 著者 | Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2017-04-01 | | 公開日 | 2018-04-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Structural basis of Wee family kinase inhibition by small molecules
to be published
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5VH1
 | | Crystal Structure of Chicken Gamma S Crystallin | | 分子名称: | Gamma S-crystallin | | 著者 | Sagar, V, Wistow, G. | | 登録日 | 2017-04-12 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal Structure of Chicken gamma S-Crystallin Reveals Lattice Contacts with Implications for Function in the Lens and the Evolution of the beta gamma-Crystallins.
Structure, 25, 2017
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5VDK
 | | Crystal structure of human WEE2 kinase domain in complex with MK1775 | | 分子名称: | 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, PHOSPHATE ION, Wee1-like protein kinase 2 | | 著者 | Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2017-04-03 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
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5VFH
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5VCY
 | | CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH BOSUTINIB | | 分子名称: | 1,2-ETHANEDIOL, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2017-04-01 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
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5VD8
 | | Crystal structure of human WEE1 kinase domain in complex with RAC-IV-099, a MK1775 analogue | | 分子名称: | 1,2-ETHANEDIOL, 6-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ... | | 著者 | Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2017-04-01 | | 公開日 | 2018-04-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural basis of Wee family kinase inhibition by small molecules
to be published
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2XFK
 | | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide | | 分子名称: | BETA-SECRETASE 1, N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE | | 著者 | Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | | 登録日 | 2010-05-24 | | 公開日 | 2010-07-07 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
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5VFN
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5VPI
 | | Crystal structure of human KRAS G12A mutant in complex with GTP | | 分子名称: | GTPase KRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | 著者 | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | | 登録日 | 2017-05-05 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras.
Acta Crystallogr D Struct Biol, 73, 2017
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5VI9
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5VYG
 | | Crystal structure of hFA9 EGF repeat with O-glucose trisaccharide | | 分子名称: | CALCIUM ION, Coagulation factor IX, alpha-D-xylopyranose-(1-3)-alpha-D-xylopyranose-(1-3)-beta-D-glucopyranose | | 著者 | Yu, H.J, Li, H.L. | | 登録日 | 2017-05-25 | | 公開日 | 2017-08-09 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | O-Glycosylation modulates the stability of epidermal growth factor-like repeats and thereby regulates Notch trafficking
J. Biol. Chem., 292, 2017
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5VLX
 | | Dehaloperoxidase B mutant F21W | | 分子名称: | Dehaloperoxidase B, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Carey, L.M, Ghiladi, R.A. | | 登録日 | 2017-04-26 | | 公開日 | 2017-12-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Selective tuning of activity in a multifunctional enzyme as revealed in the F21W mutant of dehaloperoxidase B from Amphitrite ornata.
J. Biol. Inorg. Chem., 23, 2018
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2XTH
 | | K2PtBr6 binding to lysozyme | | 分子名称: | HEXABROMOPLATINATE(IV), LYSOZYME C | | 著者 | Helliwell, J.R, Bell, A.M.T, Bryant, P, Fisher, S, Habash, J, Helliwell, M, Margiolaki, I, Kaenket, S, Watier, Y, Wright, J, Yalamanchili, S.K. | | 登録日 | 2010-10-07 | | 公開日 | 2010-12-08 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Time-Dependent Analysis of K2Ptbr6 Binding to Lysozyme Studied by Protein Powder and Single Crystal X-Ray Analysis
Z.Kristallogr., 225, 2010
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2YAC
 | | Crystal structure of Polo-like kinase 1 in complex with NMS-P937 | | 分子名称: | 1-(2-HYDROXYETHYL)-8-[[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO]-4,5-DIHYDROPYRIMIDO[5,4-G]INDAZOLE-3-CARBOXAMIDE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ... | | 著者 | Bertrand, J.A, Bossi, R.T. | | 登録日 | 2011-02-18 | | 公開日 | 2011-04-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Nms-P937, a 4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline Derivative as Potent and Selective Polo-Like Kinase 1 Inhibitor.
Bioorg.Med.Chem.Lett., 21, 2011
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5VYB
 | | Structure of the carbohydrate recognition domain of Dectin-2 complexed with a mammalian-type high mannose Man9GlcNAc2 oligosaccharide | | 分子名称: | C-type lectin domain family 6 member A, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Feinberg, H, Jegouzo, S.A.F, Rex, M.J, Drickamer, K, Taylor, M.E, Weis, W.I. | | 登録日 | 2017-05-24 | | 公開日 | 2017-07-05 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Mechanism of pathogen recognition by human dectin-2.
J. Biol. Chem., 292, 2017
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2YVB
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5VZ3
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2YEX
 | | Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors | | 分子名称: | 5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A. | | 登録日 | 2011-03-31 | | 公開日 | 2012-03-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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2YH1
 | | Model of human U2AF65 tandem RRM1 and RRM2 domains with eight-site uridine binding | | 分子名称: | 5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP)-3', SPLICING FACTOR U2AF 65 KDA SUBUNIT | | 著者 | Mackereth, C.D, Madl, T, Simon, B, Zanier, K, Gasch, A, Sattler, M. | | 登録日 | 2011-04-26 | | 公開日 | 2011-07-20 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Multi-Domain Conformational Selection Underlies Pre-Mrna Splicing Regulation by U2Af
Nature, 475, 2011
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5W22
 | | Crystal structure of human WT-KRAS in complex with GDP | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | 著者 | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | | 登録日 | 2017-06-05 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.762 Å) | | 主引用文献 | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras.
Acta Crystallogr D Struct Biol, 73, 2017
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5W2Y
 | | INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 9-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID | | 分子名称: | (2R,3R,4R,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid, (2~{R},3~{R},4~{R},5~{R})-3-acetamido-2-[(1~{R},2~{R})-1,2-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Streltsov, V.A, Mckimm-Breschkin, J, Barrett, S, Pilling, P, Hader, S, Watt, A.G. | | 登録日 | 2017-06-07 | | 公開日 | 2018-02-21 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives.
J. Med. Chem., 61, 2018
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2YIX
 | | Triazolopyridine Inhibitors of p38 | | 分子名称: | 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | 著者 | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M. | | 登録日 | 2011-05-17 | | 公開日 | 2011-11-30 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 54, 2011
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