PDB: 5434 件ウェブページステータス検索Chemie searchBIRD

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4MR4	Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-208) 分子名称: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 著者 Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2013-09-17 公開日 2013-11-27 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
4AJP	Human LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol- 6yl)amino)-3-oxo-propyl)amino)-4-oxo-butyl)phenyl)methyl)propanedioic acid 分子名称: GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, SULFATE ION, ... 著者 Tucker, J.A, Brassington, C, Caputo, A, Ward, R, Pearson, S, Watson, M, Tart, J, Davies, G. 登録日 2012-02-16 公開日 2012-03-21 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
4C3R	Structure of dephosphorylated Aurora A (122-403) bound to AMPPCP 分子名称: AURORA KINASE A, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER 著者 Zorba, A, Kutter, S, Cho, Y.-J, Kern, D. 登録日 2013-08-26 公開日 2014-05-28 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.79 Å) 主引用文献 Molecular Mechanism of Aurora a Kinase Autophosphorylation and its Allosteric Activation by Tpx2. Elife, 3, 2014
5MF0	Crystal structure of Smad4-MH1 bound to the GGCCG site. 分子名称: CHLORIDE ION, DNA (5'-D(P*AP*CP*GP*GP*GP*CP*CP*GP*CP*GP*GP*CP*CP*CP*GP*T)-3'), MH1 domain of human Smad4, ... 著者 Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J. 登録日 2016-11-16 公開日 2017-11-15 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.03 Å) 主引用文献 Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors. Nat Commun, 8, 2017
4F38	Crystal structure of geranylgeranylated RhoA in complex with RhoGDI in its active GPPNHP-bound form 分子名称: GERAN-8-YL GERAN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... 著者 Guo, Z, Tnimov, Z, Alexandrov, K. 登録日 2012-05-09 公開日 2012-05-23 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Quantitative Analysis of Prenylated RhoA Interaction with Its Chaperone, RhoGDI. J.Biol.Chem., 287, 2012
5NQB	Rabbit Muscle L-lactate dehydrogenase in complex with malonate 分子名称: L-lactate dehydrogenase A chain, MALONATE ION 著者 Luisi, B.F, Olin-Sandoval, V. 登録日 2017-04-19 公開日 2017-05-03 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 The self-inhibitory nature of metabolic networks and its alleviation through compartmentalization. Nat Commun, 8, 2017
5NQR	Potent inhibitors of NUDT5 silence hormone signaling in breast cancer 分子名称: 8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione, ADP-sugar pyrophosphatase 著者 Carter, M, Stenmark, P. 登録日 2017-04-21 公開日 2018-01-31 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells. Nat Commun, 9, 2018
4AJ4	rat LDHA in complex with 4-((2-allylsulfanyl-1,3-benzothizol-6-yl) amino)-4-oxo-butanoic acid 分子名称: 4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION 著者 Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G. 登録日 2012-02-15 公開日 2012-03-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
4AJK	rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide 分子名称: GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, ... 著者 Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Greenwood, R. 登録日 2012-02-16 公開日 2012-03-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
4AJL	rat LDHA in complex with 3-(ethylcarbamoylamino)-N-(2-methyl-1,3- benzothiazol-6-yl)propanamide 分子名称: DIMETHYL SULFOXIDE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... 著者 Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Addie, M, Ferguson, A. 登録日 2012-02-16 公開日 2012-03-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
4AJN	rat LDHA in complex with 2-((4-(2-((3-((2-methyl-1,3-benzothiazol-6- yl)amino)-3-oxo-propyl)carbamoylamino)ethyl)phenyl)methyl) propanedioic acid 分子名称: (4-{2-[({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}CARBAMOYL)AMINO]ETHYL}BENZYL)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN 著者 Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Caputo, A, Pearson, S. 登録日 2012-02-16 公開日 2012-03-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
4N1P	Structure of Cyclophilin A in complex with Picolinamide. 分子名称: Peptidyl-prolyl cis-trans isomerase A, pyridine-2-carboxamide 著者 Mcnae, I.W, Dornan, J, Walkinshaw, M.D. 登録日 2013-10-04 公開日 2015-08-12 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Mapping the binding surface of Cyclophilin A. To be Published
4A4O	CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 2-(2-AMINO- PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-PYRROLOPYRIDIN-4-ONE INHIBITOR 分子名称: 1-METHYL-2-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ... 著者 Bertrand, J.A, Bossi, R.T. 登録日 2011-10-18 公開日 2012-01-11 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 5-(2-Amino-Pyrimidin-4-Yl)-1H-Pyrrole and 2-(2-Amino-Pyrimidin-4-Yl)-1,5,6,7-Tetrahydro-Pyrrolo[3,2-C]Pyridin-4-One Derivatives as New Classes of Selective and Orally Available Polo-Like Kinase 1 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
4AJO	rat LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol-6yl) amino)-3-oxo-propyl)amino)-4-oxo-butyl)phenyl)methyl)propanedioic acid 分子名称: DIMETHYL SULFOXIDE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... 著者 Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Caputo, A, Pearson, S. 登録日 2012-02-16 公開日 2012-03-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
4AJH	rat LDHA in complex with N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido- propanamide and 2-(4-bromophenoxy)propanedioic acid 分子名称: 2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... 著者 Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Greenwood, R, Pearson, S, Debreczeni, J. 登録日 2012-02-16 公開日 2012-03-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
4AJE	rat LDHA in complex with 2-(4-bromophenoxy)propanedioic acid 分子名称: 2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... 著者 Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Pearson, S. 登録日 2012-02-16 公開日 2012-03-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
4AJI	rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid 分子名称: 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, L-LACTATE DEHYDROGENASE A CHAIN 著者 Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Debreczeni, J. 登録日 2012-02-16 公開日 2012-03-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
3ZN0	LSD1-CoREST in complex with PRSFAA peptide 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, PEPTIDE, ... 著者 Tortorici, M, Borrello, M.T, Tardugno, M, Chiarelli, L.R, Pilotto, S, Ciossani, G, Vellore, N.A, Cowan, J, O'Connell, M, Mai, A, Baron, R, Ganesan, A, Mattevi, A. 登録日 2013-02-13 公開日 2013-06-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase. Acs Chem.Biol., 8, 2013
5NOQ	Structure of cyclophilin A in complex with 3-chloropyridin-2-amine 分子名称: 3-chloranylpyridin-2-amine, Peptidyl-prolyl cis-trans isomerase A 著者 Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. 登録日 2017-04-13 公開日 2017-07-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
5NOU	Structure of cyclophilin A in complex with hexahydropyrimidin-2-one 分子名称: 1,3-diazinan-2-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Peptidyl-prolyl cis-trans isomerase A 著者 Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. 登録日 2017-04-13 公開日 2017-07-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
3ZYK	Structure of CALM (PICALM) ANTH domain 分子名称: PHOSPHATIDYLINOSITOL-BINDING CLATHRIN ASSEMBLY PROTEIN 著者 Miller, S.E, Sahlender, D.A, Graham, S.C, Honing, S, Robinson, M.S, Peden, A.A, Owen, D.J. 登録日 2011-08-23 公開日 2011-12-07 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The molecular basis for the endocytosis of small R-SNAREs by the clathrin adaptor CALM. Cell, 147, 2011
3ZMZ	LSD1-CoREST in complex with PRSFAV peptide 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, PEPTIDE, ... 著者 Tortorici, M, Borrello, M.T, Tardugno, M, Chiarelli, L.R, Pilotto, S, Ciossani, G, Vellore, N.A, Cowan, J, O'Connell, M, Mai, A, Baron, R, Ganesan, A, Mattevi, A. 登録日 2013-02-13 公開日 2013-06-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase. Acs Chem.Biol., 8, 2013
4NUD	Crystal structure of the first bromodomain of human BRD4 in complex with MS436 inhibitor 分子名称: 1,2-ETHANEDIOL, 4-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide, Bromodomain-containing protein 4 著者 Plotnikov, A.N, Joshua, J, Zhou, M.-M. 登録日 2013-12-03 公開日 2014-04-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Structure-Guided Design of Potent Diazobenzene Inhibitors for the BET Bromodomains J.Med.Chem., 56, 2013
3ZMU	LSD1-CoREST in complex with PKSFLV peptide 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, PKSFLV PEPTIDE, ... 著者 Tortorici, M, Borrello, M.T, Tardugno, M, Chiarelli, L.R, Pilotto, S, Ciossani, G, Vellore, N.A, Cowan, J, O'Connell, M, Mai, A, Baron, R, Ganesan, A, Mattevi, A. 登録日 2013-02-12 公開日 2013-06-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase. Acs Chem.Biol., 8, 2013
5NOS	Structure of cyclophilin A in complex with 3-amino-1H-pyridin-2-one 分子名称: 5-azanyl-3~{H}-pyridin-6-one, Peptidyl-prolyl cis-trans isomerase A 著者 Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. 登録日 2017-04-13 公開日 2017-07-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017

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