4RUR
 
 | | Yeast 20S proteasome in complex with the alkaloid indolo-phakellin (4) | | 分子名称: | (2E,3aR,14aS)-9-bromo-2-imino-1,2,3,5,6,14a-hexahydro-4H,8H-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | | 著者 | Beck, P, Lansdell, T.A, Hewlett, N.M, Tepe, J.J, Groll, M. | | 登録日 | 2014-11-21 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Indolo-Phakellins as beta 5-Specific Noncovalent Proteasome Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
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3PTL
 | | Crystal structure of proteinase K inhibited by a lactoferrin nonapeptide, Lys-Gly-Glu-Ala-Asp-Ala-Leu-Ser-Leu-Asp at 1.3 A resolution. | | 分子名称: | 10-mer peptide from Lactoferrin, Proteinase K | | 著者 | Shukla, P.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2010-12-03 | | 公開日 | 2010-12-22 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Crystal structure of proteinase K inhibited by a lactoferrin nonapeptide, Lys-Gly-Glu-Ala-Asp-Ala-Leu-Ser-Leu-Asp at 1.3 A resolution.
TO BE PUBLISHED
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5V2D
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1RRU
 | | The influence of a chiral amino acid on the helical handedness of PNA in solution and in crystals | | 分子名称: | Peptide Nucleic Acid, (H-P(*CPN*GPN*TPN*APN*CPN*GPN)-LYS-NH2) | | 著者 | Rasmussen, H, Liljefors, T, Petersson, B, Nielsen, P.E, Kastrup, J.S. | | 登録日 | 2003-12-09 | | 公開日 | 2004-01-13 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | The Influence of a Chiral Amino Acid on the Helical Handedness of PNA in Solution and in Crystals
J.Biomol.Struct.Dyn., 21, 2004
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4GHW
 | | Crystal structure of the complex of Fungal lipase from Thermomyces lanuginosa with decanoic acid at 2.6 A resolution | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DECANOIC ACID, Lipase | | 著者 | Yamini, S, Sinha, M, Mukherjee, J, Gupta, M.N, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2012-08-08 | | 公開日 | 2012-10-10 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of the complex of Fungal lipase from Thermomyces lanuginosa with decanoic acid at 2.6 A resolution
To be Published
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2SDF
 | | SOLUTION NMR STRUCTURE OF STROMAL CELL-DERIVED FACTOR-1 (SDF-1), 30 STRUCTURES | | 分子名称: | STROMAL CELL-DERIVED FACTOR-1 | | 著者 | Crump, M.P, Rajarathnam, K, Clark-Lewis, I, Sykes, B.D. | | 登録日 | 1998-03-07 | | 公開日 | 1998-06-17 | | 最終更新日 | 2022-03-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure and basis for functional activity of stromal cell-derived factor-1; dissociation of CXCR4 activation from binding and inhibition of HIV-1.
EMBO J., 16, 1997
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4G6F
 | | Crystal Structure of 10E8 Fab in Complex with an HIV-1 gp41 Peptide | | 分子名称: | 10E8 Heavy Chain, 10E8 Light Chain, gp41 MPER Peptide | | 著者 | Ofek, G, Huang, J, Connors, M, Kwong, P.D. | | 登録日 | 2012-07-19 | | 公開日 | 2012-09-26 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Broad and potent neutralization of HIV-1 by a gp41-specific human antibody.
Nature, 491, 2012
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5QHB
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with RK4-332 | | 分子名称: | 1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2018-05-15 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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2PVT
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4TKO
 | | Structure of the periplasmic adaptor protein EmrA | | 分子名称: | EmrA, ISOPROPYL ALCOHOL, MAGNESIUM ION | | 著者 | Hinchliffe, P, Greene, N.P, Paterson, N.G, Crow, A, Hughes, C, Koronakis, V. | | 登録日 | 2014-05-27 | | 公開日 | 2014-07-09 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structure of the periplasmic adaptor protein from a major facilitator superfamily (MFS) multidrug efflux pump.
Febs Lett., 588, 2014
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4GMK
 | | Crystal Structure of Ribose 5-Phosphate Isomerase from the Probiotic Bacterium Lactobacillus salivarius UCC118 | | 分子名称: | PHOSPHATE ION, POTASSIUM ION, Ribose-5-phosphate isomerase A | | 著者 | Lobley, C.M.C, Aller, P, Douangamath, A, Reddivari, Y, Bumann, M, Bird, L.E, Brandao-Neto, J, Owens, R.J, O'Toole, P.W, Walsh, M.A. | | 登録日 | 2012-08-16 | | 公開日 | 2012-08-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Structure of ribose 5-phosphate isomerase from the probiotic bacterium Lactobacillus salivarius UCC118.
Acta Crystallogr.,Sect.F, 68, 2012
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5AC3
 | | Crystal structure of PAM12A | | 分子名称: | ACETIC ACID, CADMIUM ION, PEPTIDE AMIDASE | | 著者 | Wu, B, Wijma, H.J, Song, L, Rozeboom, H.J, Poloni, C, Tian, Y, Arif, M.I, Nuijens, T, Quadflieg, P.J.L.M, Szymanski, W, Feringa, B.L, Janssen, D.B. | | 登録日 | 2015-08-11 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Versatile Peptide C-Terminal Functionalization Via a Computationally Peptide Amidase
Acs Catalysis, 2016
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4K9J
 | | Structure of Re(CO)3(4,7-dimethyl-phen)(Thr126His)(Lys122Trp)(His83Glu)(Trp48Phe)(Tyr72Phe)(Tyr108Phe)AzCu(II), a Rhenium modified Azurin mutant | | 分子名称: | (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION | | 著者 | Takematsu, K, Williamson, H.R, Blanco-Rodriguez, A.M, Sokolova, L, Nikolovski, P, Kaiser, J.T, Towrie, M, Clark, I.P, Vlcek Jr, A, Winkler, J.R, Gray, H.B. | | 登録日 | 2013-04-20 | | 公開日 | 2013-10-02 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Tryptophan-accelerated electron flow across a protein-protein interface.
J.Am.Chem.Soc., 135, 2013
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1Y3O
 | | HIV-1 DIS RNA subtype F- Mn soaked | | 分子名称: | 5'-R(*CP*UP*(5BU)P*GP*CP*UP*GP*AP*AP*GP*UP*GP*CP*AP*CP*AP*CP*AP*GP*CP*AP*AP*G)-3', MANGANESE (II) ION, SODIUM ION | | 著者 | Ennifar, E, Dumas, P. | | 登録日 | 2004-11-26 | | 公開日 | 2005-11-08 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Polymorphism of Bulged-out Residues in HIV-1 RNA DIS Kissing Complex and Structure Comparison with Solution Studies.
J.Mol.Biol., 356, 2006
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2O2V
 | | Crystal Structure of the Complex of Human Mitogen Activated Protein Kinase Kinase 5 Phox Domain (MAP2K5-phox) with Human Mitogen Activated Protein Kinase Kinase Kinase 3 (MAP3K3B-phox) | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 5, Mitogen-activated protein kinase kinase kinase 3 | | 著者 | Filippakopoulos, P, Savitsky, P, Ugochukwu, E, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2006-11-30 | | 公開日 | 2006-12-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Crystal Structure of the Complex of Human Mitogen Activated Protein Kinase Kinase 5 Phox Domain (MAP2K5-phox) with Human Mitogen Activated Protein Kinase Kinase Kinase 3 (MAP3K3B-phox)
To be Published
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1JDL
 | | Structure of cytochrome c2 from Rhodospirillum Centenum | | 分子名称: | CYTOCHROME C2, ISO-2, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Camara-Artigas, A, Williams, J.C, Allen, J.P. | | 登録日 | 2001-06-14 | | 公開日 | 2001-11-07 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure of cytochrome c2 from Rhodospirillum centenum.
Acta Crystallogr.,Sect.D, 57, 2001
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4R47
 | | Racemic crystal structure of a bimolecular DNA G-quadruplex (P21/n) | | 分子名称: | 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', MAGNESIUM ION, POTASSIUM ION | | 著者 | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | | 登録日 | 2014-08-19 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
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3G6H
 | | Src Thr338Ile inhibited in the DFG-Asp-Out conformation | | 分子名称: | N-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase Src | | 著者 | Seeliger, M.A, Ranjitkar, P, Kasap, C, Shan, Y, Shaw, D.E, Shah, N.P, Kuriyan, J, Maly, D.J. | | 登録日 | 2009-02-06 | | 公開日 | 2009-03-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Equally potent inhibition of c-Src and Abl by compounds that recognize inactive kinase conformations
Cancer Res., 69, 2009
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3UVX
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K12acK16ac) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, FORMIC ACID, ... | | 著者 | Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2011-11-30 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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4R5L
 | | Crystal structure of the DnaK C-terminus (Dnak-SBD-C) | | 分子名称: | CALCIUM ION, Chaperone protein DnaK, PHOSPHATE ION, ... | | 著者 | Leu, J.I, Zhang, P, Murphy, M.E, Marmorstein, R, George, D.L. | | 登録日 | 2014-08-21 | | 公開日 | 2014-09-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.9701 Å) | | 主引用文献 | Structural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket.
Acs Chem.Biol., 9, 2014
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7F3Z
 | | Double mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-K1, C59R+S108N) complexed with Trimethoprim (TOP), NADPH and dUMP | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, GLYCEROL, ... | | 著者 | Vanichtanankul, J, Tanramluk, D, Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y. | | 登録日 | 2021-06-17 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | MANORAA: A machine learning platform to guide protein-ligand design by anchors and influential distances.
Structure, 30, 2022
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3UOL
 | | Aurora A in complex with SO2-162 | | 分子名称: | 1,2-ETHANEDIOL, Aurora kinase A, N~4~-(2-chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine | | 著者 | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2011-11-16 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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4IHV
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1DOB
 | | THE MOBIL FLAVIN OF 4-OH BENZOATE HYDROXYLASE: MOTION OF A PROSTHETIC GROUP REGULATES CATALYSIS | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID | | 著者 | Gatti, D.L, Palfey, B.A, Lah, M.S, Entsch, B, Massey, V, Ballou, D.P, Ludwig, M.L. | | 登録日 | 1994-09-06 | | 公開日 | 1994-11-30 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The mobile flavin of 4-OH benzoate hydroxylase.
Science, 266, 1994
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2O8F
 | | human MutSalpha (MSH2/MSH6) bound to DNA with a single base T insert | | 分子名称: | 5'-D(*CP*GP*CP*TP*AP*GP*CP*GP*TP*GP*CP*GP*GP*CP*CP*GP*TP*C)-3', 5'-D(*GP*AP*CP*GP*GP*CP*CP*GP*CP*CP*GP*CP*TP*AP*GP*CP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | | 登録日 | 2006-12-12 | | 公開日 | 2007-06-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Structure of the Human MutSalpha DNA Lesion Recognition Complex.
Mol.Cell, 26, 2007
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