5UIW
 
 | | Crystal Structure of CC Chemokine Receptor 5 (CCR5) in complex with high potency HIV entry inhibitor 5P7-CCL5 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, C-C chemokine receptor type 5,Rubredoxin chimera, C-C motif chemokine 5, ... | | 著者 | Zheng, Y, Qin, L, Han, G.W, Gustavsson, M, Kawamura, T, Stevens, R.C, Cherezov, V, Kufareva, I, Handel, T.M. | | 登録日 | 2017-01-15 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.204 Å) | | 主引用文献 | Structure of CC Chemokine Receptor 5 with a Potent Chemokine Antagonist Reveals Mechanisms of Chemokine Recognition and Molecular Mimicry by HIV.
Immunity, 46, 2017
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1ZQ5
 | | Crystal structure of human androgenic 17beta-hydroxysteroid dehydrogenase type 5 in complexed with a potent inhibitor EM1404 | | 分子名称: | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN, ACETATE ION, Aldo-keto reductase family 1 member C3, ... | | 著者 | Qiu, W, Zhou, M, Ghanmi, D, Luu-The, V, Labrie, F, Lin, S.X. | | 登録日 | 2005-05-18 | | 公開日 | 2006-12-12 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structure-based inhibitor design for an enzyme that binds different steroids: a potent inhibitor for human type 5 17beta-hydroxysteroid dehydrogenase.
J.Biol.Chem., 282, 2007
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3IKR
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6KDO
 | | HIV-1 reverse transcriptase with Q151M/Y115F/F116Y/M184V/F160M:DNA:lamivudine 5'-triphosphate ternary complex | | 分子名称: | DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ... | | 著者 | Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. | | 登録日 | 2019-07-02 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.573 Å) | | 主引用文献 | Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine.
Sci Rep, 10, 2020
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3IE5
 | | Crystal structure of Hyp-1 protein from Hypericum perforatum (St John's wort) involved in hypericin biosynthesis | | 分子名称: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Michalska, K, Fernandes, H, Sikorski, M.M, Jaskolski, M. | | 登録日 | 2009-07-22 | | 公開日 | 2009-11-10 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.688 Å) | | 主引用文献 | Crystal structure of Hyp-1, a St. John's wort protein implicated in the biosynthesis of hypericin
J.Struct.Biol., 169, 2010
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6Q2M
 | | Crystal structure of Photinus pyralis Luciferase Pps6 mutant in complex with DLSA | | 分子名称: | (2S,5S)-hexane-2,5-diol, 1,2-ETHANEDIOL, 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE, ... | | 著者 | Patel, K.D, Gulick, A.M. | | 登録日 | 2019-08-08 | | 公開日 | 2019-10-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Mutagenesis and Structural Studies Reveal the Basis for the Activity and Stability Properties That Distinguish thePhotinusLuciferasesscintillansandpyralis.
Biochemistry, 58, 2019
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5UYV
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3IKQ
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3INX
 | | HSP90 N-TERMINAL DOMAIN with pochoxime B | | 分子名称: | (5E,9E,11E)-14,16-dihydroxy-3,4,7,8-tetrahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione 11-[O-(2-oxo-2-piperidin-1-ylethyl)oxime], DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha | | 著者 | Korndoerfer, I.P. | | 登録日 | 2009-08-13 | | 公開日 | 2010-08-18 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Inhibition of HSP90 with pochoximes: SAR and structure-based insights.
Chembiochem, 10, 2009
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2ENR
 | | CO-CRYSTALS OF DEMETALLIZED CONCANAVALIN A WITH CADMIUM HAVING A CADMIUM ION BOUND IN BOTH THE S1 SITE AND THE S2 SITE | | 分子名称: | CADMIUM ION, CONCANAVALIN A | | 著者 | Bouckaert, J, Loris, R, Wyns, L. | | 登録日 | 1998-07-14 | | 公開日 | 1999-02-16 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Zinc/calcium- and cadmium/cadmium-substituted concanavalin A: interplay of metal binding, pH and molecular packing.
Acta Crystallogr.,Sect.D, 56, 2000
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4Y76
 | | Factor Xa complex with GTC000401 | | 分子名称: | CALCIUM ION, Coagulation factor X, N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide | | 著者 | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | | 登録日 | 2015-02-13 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
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4Y79
 | | Factor Xa complex with GTC000406 | | 分子名称: | (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide, CALCIUM ION, Coagulation factor X, ... | | 著者 | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | | 登録日 | 2015-02-13 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
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4Y7B
 | | Factor Xa complex with GTC000441 | | 分子名称: | 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X | | 著者 | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | | 登録日 | 2015-02-13 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Factor Xa complex with GTC000441
to be published
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1YJQ
 | | Crystal structure of ketopantoate reductase in complex with NADP+ | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-dehydropantoate 2-reductase, ACETATE ION, ... | | 著者 | Lobley, C.M.C, Ciulli, A, Whitney, H.M, Williams, G, Smith, A.G, Abell, C, Blundell, T.L. | | 登録日 | 2005-01-15 | | 公開日 | 2005-06-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | The crystal structure of Escherichia coli ketopantoate reductase with NADP+ bound.
Biochemistry, 44, 2005
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4YAS
 | | HYDROXYNITRILE LYASE COMPLEXED WITH CHLORALHYDRATE | | 分子名称: | PROTEIN (HYDROXYNITRILE LYASE), SULFATE ION, TRI-CHLORO-ACETALDEHYDE | | 著者 | Zuegg, J, Wagner, U.G, Gugganig, M, Kratky, C. | | 登録日 | 1999-03-15 | | 公開日 | 1999-10-13 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis.
Protein Sci., 8, 1999
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1YKR
 | | Crystal structure of cdk2 with an aminoimidazo pyridine inhibitor | | 分子名称: | 4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2-A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE, Cell division protein kinase 2 | | 著者 | Hamdouchi, C, Zhong, B, Mendoza, J, Jaramillo, C, Zhang, F, Brooks, H.B. | | 登録日 | 2005-01-18 | | 公開日 | 2006-01-24 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-based design of a new class of highly selective aminoimidazo[1,2-a]pyridine-based inhibitors of cyclin dependent kinases
Bioorg.Med.Chem.Lett., 15, 2005
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1GJG
 | | Peptide Antagonist of IGFBP1, (i,i+8) Covalently Restrained Analog, Minimized Average Structure | | 分子名称: | IGFBP-1 antagonist, PENTANE | | 著者 | Skelton, N.J, Chen, Y.M, Dubree, N, Quan, C, Jackson, D.Y, Cochran, A.G, Zobel, K, Deshayes, K, Baca, M, Pisabarro, M.T, Lowman, H.B. | | 登録日 | 2001-05-11 | | 公開日 | 2001-05-30 | | 最終更新日 | 2023-12-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1.
Biochemistry, 40, 2001
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3IW7
 | | Human p38 MAP Kinase in Complex with an Imidazo-pyridine | | 分子名称: | 2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3H-imidazo[4,5-c]pyridine, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Gruetter, C, Simard, J.R, Rauh, D. | | 登録日 | 2009-09-02 | | 公開日 | 2009-11-17 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
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6Q1L
 | | Crystal structure of oxidized iodotyrosine deiodinase (IYD) bound to FMN and 3-iodo-L-tyrosine | | 分子名称: | 3-IODO-TYROSINE, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | 著者 | Sun, Z, Kavran, J.M, Rokita, S.E. | | 登録日 | 2019-08-05 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The minimal structure for iodotyrosine deiodinase function is defined by an outlier protein from the thermophilic bacterium Thermotoga neapolitana.
J.Biol.Chem., 297, 2021
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2NPI
 | | Clp1-ATP-Pcf11 complex | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein CLP1, ... | | 著者 | Noble, C.G, Beuth, B, Taylor, I.A. | | 登録日 | 2006-10-27 | | 公開日 | 2006-12-19 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Structure of a nucleotide-bound Clp1-Pcf11 polyadenylation factor
Nucleic Acids Res., 35, 2007
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6QLT
 | | Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative-7 | | 分子名称: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, DI(HYDROXYETHYL)ETHER, Galectin-3 | | 著者 | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | 登録日 | 2019-02-01 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
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3J8V
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1GKO
 | | An Engineered Transthyretin Monomer that is Non-amyloidogenic - Unless Partially Denatured | | 分子名称: | TRANSTHYRETIN | | 著者 | Jiang, X, Smith, C.S, Petrassi, H.M, Hammarstrom, P, White, J.T, Sacchettini, J.C, Kelly, J.W. | | 登録日 | 2001-08-17 | | 公開日 | 2001-11-28 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | An Engineered Transthyretin Monomer that is Nonamyloidogenic, Unless It is Partially Denatured
Biochemistry, 40, 2001
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1B0G
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2EFG
 | | TRANSLATIONAL ELONGATION FACTOR G COMPLEXED WITH GDP | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, PROTEIN (ELONGATION FACTOR G DOMAIN 3), PROTEIN (ELONGATION FACTOR G) | | 著者 | Czworkowski, J, Wang, J, Steitz, T.A, Moore, P.B. | | 登録日 | 1998-09-23 | | 公開日 | 1999-09-30 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The crystal structure of elongation factor G complexed with GDP, at 2.7 A resolution.
EMBO J., 13, 1994
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