6Z4H
 
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3ECG
 | | High Resolution HIV-2 Protease Structure in Complex with Antiviral Inhibitor GRL-98065 | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, CHLORIDE ION, IMIDAZOLE, ... | | 著者 | Kovalevsky, A.Y, Weber, I.T. | | 登録日 | 2008-08-29 | | 公開日 | 2008-09-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease
J.Mol.Biol., 384, 2008
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6Z4L
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5EOH
 | | Crystal structure of murine neuroglobin at 270 MPa pressure | | 分子名称: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | 著者 | Colloc'h, N, Girard, E, Vallone, B, Prange, T. | | 登録日 | 2015-11-10 | | 公開日 | 2016-10-19 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Determinants of neuroglobin plasticity highlighted by joint coarse-grained simulations and high pressure crystallography.
Sci Rep, 7, 2017
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6Z50
 | | Crystal structure of CLK1 in complex with macrocycle ODS2003208 | | 分子名称: | 1,2-ETHANEDIOL, 11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Dual specificity protein kinase CLK1, ... | | 著者 | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-05-26 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structure of CLK1 in complex with macrocycle ODS2003208
To Be Published
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5EI2
 | | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | | 分子名称: | Dual specificity protein kinase TTK, ~{N}-(2,4-dimethoxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine | | 著者 | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | | 登録日 | 2015-10-29 | | 公開日 | 2016-04-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.
J.Med.Chem., 59, 2016
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2IXT
 | | SPHERICASE | | 分子名称: | 36KDA PROTEASE, CALCIUM ION | | 著者 | Almog, O, Gonzalez, A, Godin, N. | | 登録日 | 2006-07-11 | | 公開日 | 2007-08-21 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (0.8 Å) | | 主引用文献 | The Crystal Structures of the Psychrophilic Subtilisin S41 and the Mesophilic Subtilisin Sph Reveal the Same Calcium-Loaded State.
Proteins, 74, 2009
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5EOL
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2IDM
 | | 2.00 A Structure of T87I/Y106W Phosphono-CheY | | 分子名称: | ACETATE ION, Chemotaxis protein cheY | | 著者 | Halkides, C.J, Haas, R.M, McAdams, K.A, Casper, E.S, Santarsiero, B.D, Mesecar, A.D. | | 登録日 | 2006-09-15 | | 公開日 | 2007-09-25 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The structures of T87I phosphono-CheY and T87I/Y106W phosphono-CheY help to explain their binding affinities to the FliM and CheZ peptides.
Arch.Biochem.Biophys., 479, 2008
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6YTA
 | | CLK1 bound with imidazopyridazine (Cpd 1) | | 分子名称: | 1,2-ETHANEDIOL, 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Dual specificity protein kinase CLK1 | | 著者 | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-04-24 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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5EF6
 | | Structure of HOXB13 complex with methylated DNA | | 分子名称: | DNA (5'-D(P*GP*GP*AP*CP*CP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13 | | 著者 | Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. | | 登録日 | 2015-10-23 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Impact of cytosine methylation on DNA binding specificities of human transcription factors.
Science, 356, 2017
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6YTG
 | | CLK1 bound with beta-carboline KH-CARB13 (Cpd 3) | | 分子名称: | (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, Dual specificity protein kinase CLK1 | | 著者 | Schroeder, M, Chaikuad, A, Huber, K, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-04-24 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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2IEN
 | | Crystal structure analysis of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017) | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | | 著者 | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T. | | 登録日 | 2006-09-19 | | 公開日 | 2006-10-03 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains.
J.Mol.Biol., 338, 2004
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5EQG
 | | Human GLUT1 in complex with inhibitor (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide | | 分子名称: | (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1 | | 著者 | Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M. | | 登録日 | 2015-11-12 | | 公開日 | 2016-04-13 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5EH2
 | | Human PRDM9 allele-A ZnF Domain with Associated Recombination Hotspot DNA Sequence III | | 分子名称: | DNA (5'-D(*AP*CP*AP*CP*GP*TP*GP*GP*CP*TP*AP*GP*GP*GP*AP*GP*GP*CP*CP*TP*C)-3'), DNA (5'-D(*TP*GP*AP*GP*GP*CP*CP*TP*CP*CP*CP*TP*AP*GP*CP*CP*AP*CP*GP*TP*G)-3'), Histone-lysine N-methyltransferase PRDM9, ... | | 著者 | Patel, A, Horton, J.R, Wilson, G.G, Zhang, X, Cheng, X. | | 登録日 | 2015-10-27 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural basis for human PRDM9 action at recombination hot spots.
Genes Dev., 30, 2016
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3E8E
 | | Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors | | 分子名称: | 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, PKI inhibitor peptide, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | | 登録日 | 2008-08-19 | | 公開日 | 2008-11-18 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
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6ZEU
 | | Crystal structure of proteinase K lamella by electron diffraction with a 50 micrometre C2 condenser aperture | | 分子名称: | CALCIUM ION, Proteinase K | | 著者 | Evans, G, Zhang, P, Beale, E.V, Waterman, D.G. | | 登録日 | 2020-06-16 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (2.004 Å) | | 主引用文献 | A Workflow for Protein Structure Determination From Thin Crystal Lamella by Micro-Electron Diffraction.
Front Mol Biosci, 7, 2020
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6ZFK
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5ESI
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73W mutant | | 分子名称: | Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sagatova, A, Keniya, M.V, Wilson, R, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | | 登録日 | 2015-11-16 | | 公開日 | 2016-11-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
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3EOB
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2IJ5
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6Z08
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-Nitrophenol | | 分子名称: | P-NITROPHENOL, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | 登録日 | 2020-05-08 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.49 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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2IXE
 | | Crystal structure of the ATPase domain of TAP1 with ATP (D645N mutant) | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, ANTIGEN PEPTIDE TRANSPORTER 1, MAGNESIUM ION, ... | | 著者 | Procko, E, Ferrin-O'Connell, I, Ng, S.-L, Gaudet, R. | | 登録日 | 2006-07-07 | | 公開日 | 2006-10-11 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Distinct Structural and Functional Properties of the ATPase Sites in an Asymmetric Abc Transporter.
Mol.Cell, 24, 2001
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6YTE
 | | CLK1 bound with benzothiazole Tg003 (Cpd 2) | | 分子名称: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Dual specificity protein kinase CLK1 | | 著者 | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-04-24 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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5EET
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