5YAS
| HYDROXYNITRILE LYASE COMPLEXED WITH HEXAFLUOROACETONE | 分子名称: | 1,1,1,3,3,3-HEXAFLUOROPROPANEDIOL, PROTEIN (HYDROXYNITRILE LYASE), SULFATE ION | 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 (2.2 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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7BGH
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5U4X
| Coactivator-associated arginine methyltransferase 1 with TP-064 | 分子名称: | Histone-arginine methyltransferase CARM1, N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide, S-ADENOSYL-L-HOMOCYSTEINE, ... | 著者 | DONG, A, ZENG, H, Saikatendu, K.S, STONE, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | 登録日 | 2016-12-06 | 公開日 | 2016-12-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | TP-064, a potent and selective small molecule inhibitor of PRMT4 for multiple myeloma. Oncotarget, 9, 2018
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5JOH
| CRYSTAL STRUCTURE OF CSN5(2-257) IN COMPLEX WITH CNS5i-1b | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-chloro-6-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-carbonitrile, COP9 signalosome complex subunit 5, ... | 著者 | Renatus, M, Wiesmann, C. | 登録日 | 2016-05-02 | 公開日 | 2016-11-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Targeted inhibition of the COP9 signalosome for treatment of cancer. Nat Commun, 7, 2016
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5CTN
| Structure of BPu1 beta-lactamase | 分子名称: | (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)meth yl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase, CITRATE ANION | 著者 | Smith, C.A, Vakulenko, S.B. | 登録日 | 2015-07-24 | 公開日 | 2015-11-25 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Class D beta-lactamases do exist in Gram-positive bacteria. Nat.Chem.Biol., 12, 2016
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6CDO
| Structure of vaccine-elicited HIV-1 neutralizing antibody vFP16.02 in complex with HIV-1 fusion peptide residue 512-519 | 分子名称: | HIV-1 fusion peptide 512-519, SULFATE ION, vFP16.02 Fab heavy chain, ... | 著者 | Xu, K, Liu, K, Kwong, P.D. | 登録日 | 2018-02-08 | 公開日 | 2018-05-16 | 最終更新日 | 2018-06-20 | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | 主引用文献 | Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1. Nat. Med., 24, 2018
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6CDP
| Vaccine-elicited HIV-1 neutralizing antibody vFP20.01 in complex with HIV-1 fusion peptide residue 512-519 | 分子名称: | HIV-1 fusion peptide 512-519, SULFATE ION, vFP20.01 Fab heavy chain, ... | 著者 | Xu, K, Liu, K, Kwong, P.D. | 登録日 | 2018-02-08 | 公開日 | 2018-05-16 | 最終更新日 | 2024-11-06 | 実験手法 | X-RAY DIFFRACTION (2.456 Å) | 主引用文献 | Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1. Nat. Med., 24, 2018
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8SSC
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8SSE
| Methionine synthase, C-terminal fragment, Cobalamin and Reactivation Domains from Thermus thermophilus HB8 | 分子名称: | COBALAMIN, Methionine synthase | 著者 | Yamada, K, Mendoza, J, Koutmos, M. | 登録日 | 2023-05-08 | 公開日 | 2023-10-11 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Structure of full-length cobalamin-dependent methionine synthase and cofactor loading captured in crystallo. Nat Commun, 14, 2023
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8SSD
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5W0Q
| CREBBP Bromodomain in complex with Cpd17 (N,2,7-trimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazine-4-carboxamide) | 分子名称: | (2R)-N,2,7-trimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide, CREB-binding protein, SULFATE ION | 著者 | Murray, J.M. | 登録日 | 2017-05-31 | 公開日 | 2018-03-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP). J. Med. Chem., 60, 2017
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5KU3
| BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone) | 分子名称: | 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, Bromodomain-containing protein 4, ... | 著者 | Murray, J.M, Huang, W. | 登録日 | 2016-07-12 | 公開日 | 2016-11-02 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
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7U6L
| Pseudooxynicotine amine oxidase | 分子名称: | Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Choudhary, V, Stull, F, Wu, K. | 登録日 | 2022-03-04 | 公開日 | 2022-07-20 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The enzyme pseudooxynicotine amine oxidase from Pseudomonas putida S16 is not an oxidase, but a dehydrogenase. J.Biol.Chem., 298, 2022
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5W0F
| CREBBP Bromodomain in complex with Cpd3 ((S)-1-(3-(6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) | 分子名称: | 1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein | 著者 | Murray, J.M. | 登録日 | 2017-05-30 | 公開日 | 2018-03-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP). J. Med. Chem., 60, 2017
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5W0L
| CREBBP Bromodomain in complex with Cpd10 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) | 分子名称: | 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein | 著者 | Murray, J.M. | 登録日 | 2017-05-31 | 公開日 | 2018-03-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.549 Å) | 主引用文献 | GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP). J. Med. Chem., 60, 2017
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6SDZ
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7NIO
| Crystal structure of the SARS-CoV-2 helicase APO form | 分子名称: | SARS-CoV-2 helicase NSP13, ZINC ION | 著者 | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O. | 登録日 | 2021-02-12 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5DPX
| 1,2,4-Triazole-3-thione compounds as inhibitors of L1, di-zinc metallo-beta-lactamases. | 分子名称: | 5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione, Metallo-beta-lactamase L1 type 3, SULFATE ION, ... | 著者 | Nauton, L, Garau, G, Khan, R, Dideberg, O. | 登録日 | 2015-09-14 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | 1,2,4-Triazole-3-thione Compounds as Inhibitors of Dizinc Metallo-beta-lactamases. ChemMedChem, 12, 2017
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7NN0
| Crystal structure of the SARS-CoV-2 helicase in complex with AMP-PNP | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SARS-CoV-2 helicase NSP13, ... | 著者 | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O. | 登録日 | 2021-02-23 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.04 Å) | 主引用文献 | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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7NNG
| Crystal structure of the SARS-CoV-2 helicase in complex with Z2327226104 | 分子名称: | 1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid, PHOSPHATE ION, SARS-CoV-2 helicase NSP13, ... | 著者 | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O. | 登録日 | 2021-02-24 | 公開日 | 2021-04-07 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5KTX
| CREBBP bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone) | 分子名称: | 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, CREB-binding protein, ... | 著者 | Murray, J.M, Noland, C. | 登録日 | 2016-07-12 | 公開日 | 2016-11-02 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
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8OOI
| Full composite cryo-EM map of p97/VCP in ADP.Pi state | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Cheng, T.C, Sakata, E, Schuetz, A.K. | 登録日 | 2023-04-05 | 公開日 | 2024-01-31 | 最終更新日 | 2024-10-16 | 実験手法 | ELECTRON MICROSCOPY (2.61 Å) | 主引用文献 | Characterizing ATP processing by the AAA+ protein p97 at the atomic level. Nat.Chem., 16, 2024
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5KTW
| CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)amino)-N-isopropylbenzamide) | 分子名称: | 1,2-ETHANEDIOL, 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide, CREB-binding protein | 著者 | Murray, J.M, Boenig, G. | 登録日 | 2016-07-12 | 公開日 | 2016-11-02 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.087 Å) | 主引用文献 | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
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6SKE
| Teneurin 2 in complex with Latrophilin 2 Lec domain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Adhesion G protein-coupled receptor L2, ... | 著者 | Shahin, M, Jackson, V.A, Carrasquero, M, Lowe, E, Seiradake, E. | 登録日 | 2019-08-15 | 公開日 | 2020-02-12 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.62 Å) | 主引用文献 | Structural Basis of Teneurin-Latrophilin Interaction in Repulsive Guidance of Migrating Neurons. Cell, 180, 2020
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5W0I
| CREBBP Bromodomain in complex with Cpd8 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) | 分子名称: | 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein, DIMETHYL SULFOXIDE, ... | 著者 | Murray, J.M. | 登録日 | 2017-05-30 | 公開日 | 2018-03-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP). J. Med. Chem., 60, 2017
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