PDB: 5425 件ウェブページステータス検索Chemie searchBIRD

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7LN0	Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and Ub6 (Class 2) 分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Hexa-ubiquitin, ... 著者 Pan, M, Yu, Y, Liu, L, Zhao, M. 登録日 2021-02-06 公開日 2021-09-15 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (2.98 Å) 主引用文献 Mechanistic insight into substrate processing and allosteric inhibition of human p97. Nat.Struct.Mol.Biol., 28, 2021
7LN6	Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and polyubiquitinated Ub-Eos (CHAPSO, Class 2, Open State) 分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... 著者 Pan, M, Yu, Y, Liu, L, Zhao, M. 登録日 2021-02-06 公開日 2021-09-15 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (3.58 Å) 主引用文献 Mechanistic insight into substrate processing and allosteric inhibition of human p97. Nat.Struct.Mol.Biol., 28, 2021
7LN5	Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and polyubiquitinated Ub-Eos (CHAPSO, Class 1, Close State) 分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... 著者 Pan, M, Yu, Y, Liu, L, Zhao, M. 登録日 2021-02-06 公開日 2021-09-15 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (3.09 Å) 主引用文献 Mechanistic insight into substrate processing and allosteric inhibition of human p97. Nat.Struct.Mol.Biol., 28, 2021
7LN1	Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and Ub6 (Class 3) 分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Hexa-ubiquitin, ... 著者 Pan, M, Yu, Y, Liu, L, Zhao, M. 登録日 2021-02-06 公開日 2021-09-15 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 Mechanistic insight into substrate processing and allosteric inhibition of human p97. Nat.Struct.Mol.Biol., 28, 2021
7LN3	Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and polyubiquitinated Ub-Eos (FOM, Class 2) 分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... 著者 Pan, M, Yu, Y, Liu, L, Zhao, M. 登録日 2021-02-06 公開日 2021-09-15 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (3.45 Å) 主引用文献 Mechanistic insight into substrate processing and allosteric inhibition of human p97. Nat.Struct.Mol.Biol., 28, 2021
7M16	Triazole-based BET family bromodomain inhibitor bound to BRD4(D1) 分子名称: 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide, Bromodomain-containing protein 4 著者 Johnson, J.A, Pomerantz, W. 登録日 2021-03-12 公開日 2021-09-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Systematically Mitigating the p38alpha Activity of Triazole-based BET Inhibitors ACS Med. Chem. Lett., 10, 2019
7LTT	SAMHD1(113-626) H206R D207N R366C 分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION 著者 Temple, J.T, Bowen, N.E. 登録日 2021-02-20 公開日 2021-11-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural and functional characterization explains loss of dNTPase activity of the cancer-specific R366C/H mutant SAMHD1 proteins. J.Biol.Chem., 297, 2021
7LU5	SAMHD1(113-626) H206R D207N R366H 分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 著者 Temple, J.T, Bowen, N.E. 登録日 2021-02-20 公開日 2021-11-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.57 Å) 主引用文献 Structural and functional characterization explains loss of dNTPase activity of the cancer-specific R366C/H mutant SAMHD1 proteins. J.Biol.Chem., 297, 2021
7LA9	Crystal structure of the first bromodomain (BD1) of human BRD4 (BRD4-1) in complex with bivalent inhibitor NC-III-49-1 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... 著者 Karim, M.R, Schonbrunn, E. 登録日 2021-01-06 公開日 2022-01-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity. J.Med.Chem., 65, 2022
7L9M	Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with bivalent inhibitor GXH-II-083 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,N'-[(1,19-dioxo-4,7,10,13,16-pentaoxanonadecane-1,19-diyl)di(piperidine-1,4-diyl)]bis(4-{[4-({3-[(tert-butylsulfonyl)amino]-4-chlorophenyl}amino)-5-methylpyrimidin-2-yl]amino}-2-fluorobenzamide) 著者 Karim, M.R, Schonbrunn, E. 登録日 2021-01-04 公開日 2022-01-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity. J.Med.Chem., 65, 2022
7LNH	S-adenosylmethionine synthetase co-crystallized with UppNHp 分子名称: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-$l^{3}-sulfanyl]butanoic acid, 1,2-ETHANEDIOL, S-adenosylmethionine synthase isoform type-2 著者 Tan, L.L, Jackson, C.J. 登録日 2021-02-07 公開日 2022-03-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases. Jacs Au, 1, 2021
7LIU	DDX3X bound to ATP analog and remodeled RNA:DNA hybrid 分子名称: 5'-R(*GP*GP*GP*CP*GP*GP*G)-D(P*CP*CP*CP*GP*CP*CP*C)-3', ATP-dependent RNA helicase DDX3X, MAGNESIUM ION, ... 著者 Enemark, E.J, Yu, S. 登録日 2021-01-27 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.001 Å) 主引用文献 DDX3X bound to ATP analog and remodeled RNA:DNA hybrid To Be Published
7LH8	CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR JJ-II-131 分子名称: (5R)-1-ethyl-5-(4-methylphenyl)-7-({1-[(4-nitrophenyl)methyl]piperidin-4-yl}methyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... 著者 Schonbrunn, E, Chan, A. 登録日 2021-01-21 公開日 2022-07-06 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Dihydropyridine Lactam Analogs Targeting BET Bromodomains. Chemmedchem, 17, 2022
7M40	Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4) 分子名称: Histone-binding protein RBBP4, N~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-N~1~,N~1~-dimethylpropane-1,3-diamine 著者 Perveen, S, Dong, A, Tempel, W, Zepeda-Velazquez, C, Abbey, M, McLeod, D, Marcellus, R, Mohammed, M, Ensan, D, Panagopoulos, D, Trush, V, Gibson, E, Brown, P.J, Arrowsmith, C.H, Schapira, M, Al-awar, R, Vedadi, M, Structural Genomics Consortium (SGC) 登録日 2021-03-19 公開日 2021-05-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4) To Be Published
3UF1	Crystal Structure of Vimentin (fragment 144-251) from Homo sapiens, Northeast Structural Genomics Consortium Target HR4796B 分子名称: Vimentin 著者 Kuzin, A, Abashidze, M, Vorobiev, S.M, Patel, P, Xiao, R, Ciccosanti, C, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) 登録日 2011-10-31 公開日 2011-11-30 最終更新日 2013-04-24 実験手法 X-RAY DIFFRACTION (2.81 Å) 主引用文献 The structure of vimentin linker 1 and rod 1B domains characterized by site-directed spin-labeling electron paramagnetic resonance (SDSL-EPR) and X-ray crystallography. J.Biol.Chem., 287, 2012
3UCD	Asymmetric complex of human neuron specific enolase-2-PGA/PEP 分子名称: 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, MAGNESIUM ION, ... 著者 Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L. 登録日 2011-10-26 公開日 2012-08-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity. J.Inorg.Biochem., 111, 2012
5DDI	Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from pig muscle - holo enzyme - at 2.40 Angstrom resolution 分子名称: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION 著者 Dimova, M, Devedjiev, Y.D. 登録日 2015-08-24 公開日 2016-08-24 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Novel enhancer binding site found in bacteria and eukaryota but not in archea. To Be Published
3UBW	Complex of 14-3-3 isoform epsilon, a Mlf1 phosphopeptide and a small fragment hit from a FBDD screen 分子名称: (3S)-pyrrolidin-3-ol, 14-3-3 protein epsilon, Myeloid leukemia factor 1, ... 著者 Molzan, M, Weyand, M, Rose, R, Ottmann, C. 登録日 2011-10-25 公開日 2012-01-25 最終更新日 2012-02-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural insights of the MLF1/14-3-3 interaction. Febs J., 279, 2012
5CYS	Structure of the enzyme-product complex resulting from TDG action on a GcaC mismatch 分子名称: ACETIC ACID, DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase 著者 Pozharski, E, Malik, S.S, Drohat, A.C. 登録日 2015-07-30 公開日 2015-09-16 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Characterizing the enzyme-product complexes of thymine DNA glycosylase using crystallography and NMR Nucleic Acids Res., 2015
3UKR	Crystal structure of Bos taurus Arp2/3 complex with bound inhibitor CK-666 分子名称: 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, ... 著者 Nolen, B.J, Han, M. 登録日 2011-11-09 公開日 2013-02-13 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Structural characterization and computer-aided optimization of a small-molecule inhibitor of the Arp2/3 complex, a key regulator of the actin cytoskeleton. Chemmedchem, 7, 2012
5D3N	First bromodomain of BRD4 bound to inhibitor XD40 分子名称: 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 著者 Wohlwend, D, Huegle, M. 登録日 2015-08-06 公開日 2016-01-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
5D3T	First bromodomain of BRD4 bound to inhibitor XD47 分子名称: 1,2-ETHANEDIOL, 4-acetyl-N-(3-carbamoylbenzyl)-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ... 著者 Wohlwend, D, Huegle, M. 登録日 2015-08-06 公開日 2016-01-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
3UJS	Asymmetric complex of human neuron specific enolase-6-PGA/PEP 分子名称: (2R)-2-(phosphonooxy)propanoic acid, (2R)-3-oxo-2-(phosphonooxy)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... 著者 Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L. 登録日 2011-11-08 公開日 2012-08-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity. J.Inorg.Biochem., 111, 2012
5D8K	Human HSF2 DNA-Binding Domain bound to 2-site HSE DNA at 1.73 Angstroms Resolution 分子名称: DNA (5'-D(*GP*GP*TP*TP*CP*TP*AP*GP*AP*AP*CP*C)-3'), Heat shock factor protein 2 著者 Jaeger, A.M, Pemble, C.W, Thiele, D.J. 登録日 2015-08-17 公開日 2016-01-06 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.728 Å) 主引用文献 Structures of HSF2 reveal mechanisms for differential regulation of human heat-shock factors. Nat.Struct.Mol.Biol., 23, 2016
5D3S	First bromodomain of BRD4 bound to inhibitor XD44 分子名称: (R,R)-2,3-BUTANEDIOL, 4-acetyl-3-ethyl-N-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ... 著者 Wohlwend, D, Huegle, M. 登録日 2015-08-06 公開日 2016-01-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016

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