6DQB
| LINKED KDM5A JMJ DOMAIN FORMING COVALENT BOND TO INHIBITOR N71 i.e. 2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid | 分子名称: | 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2018-06-10 | 公開日 | 2018-11-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.791 Å) | 主引用文献 | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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6DQ8
| LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N49 i.e. 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid | 分子名称: | 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2018-06-10 | 公開日 | 2018-11-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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1KGJ
| Rat transthyretin (also called prealbumin) complex with 3',5'-dibromoflavone (EMD21388) | 分子名称: | 6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE, TRANSTHYRETIN | 著者 | Wojtczak, A, Neumann, P, Muziol, T, Cody, V, Luft, J.R, Pangborn, W. | 登録日 | 2001-11-27 | 公開日 | 2002-11-27 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Comparison of binding interactions of dibromoflavonoids with transthyretin. Acta Biochim.Pol., 48, 2001
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4MAB
| Resolving Cys to Ala variant of Salmonella Alkyl Hydroperoxide Reductase C in its substrate-ready conformation | 分子名称: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, GLYCEROL, ... | 著者 | Perkins, A, Nelson, K.J, Williams, J.R, Poole, L.B, Karplus, P.A. | 登録日 | 2013-08-15 | 公開日 | 2013-11-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The sensitive balance between the fully folded and locally unfolded conformations of a model peroxiredoxin. Biochemistry, 52, 2013
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4LT1
| HEWL co-crystallised with Carboplatin in non-NaCl conditions: crystal 1 processed using the XDS software package | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, Lysozyme C, ... | 著者 | Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Schreurs, A.M.M, Helliwell, J.R. | 登録日 | 2013-07-23 | 公開日 | 2014-07-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Carboplatin binding to a model protein in non-NaCl conditions to eliminate partial conversion to cisplatin, and the use of different criteria to choose the resolution limit To be Published
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1YFJ
| T4Dam in Complex with AdoHcy and 15-mer Oligonucleotide Showing Semi-specific and Specific Contact | 分子名称: | 5'-D(*TP*CP*AP*CP*AP*GP*GP*AP*TP*CP*CP*TP*GP*TP*G)-3', CALCIUM ION, CHLORIDE ION, ... | 著者 | Horton, J.R, Liebert, K, Hattman, S, Jeltsch, A, Cheng, X. | 登録日 | 2005-01-02 | 公開日 | 2005-05-17 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Transition from Nonspecific to Specific DNA Interactions along the Substrate-Recognition Pathway of Dam Methyltransferase. Cell(Cambridge,Mass.), 121, 2005
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1YF3
| T4Dam in Complex with AdoHcy and 13-mer Oligonucleotide Making Non- and Semi-specific (~1/4) Contact | 分子名称: | 5'-D(*AP*CP*CP*AP*TP*GP*AP*TP*CP*TP*GP*AP*C)-3', 5'-D(*TP*GP*TP*CP*AP*GP*AP*TP*CP*AP*TP*GP*G)-3', DNA adenine methylase, ... | 著者 | Horton, J.R, Liebert, K, Hattman, S, Jeltsch, A, Cheng, X. | 登録日 | 2004-12-30 | 公開日 | 2005-05-17 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Transition from Nonspecific to Specific DNA Interactions along the Substrate-Recognition Pathway of Dam Methyltransferase. Cell(Cambridge,Mass.), 121, 2005
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1YFL
| T4Dam in Complex with Sinefungin and 16-mer Oligonucleotide Showing Semi-specific and Specific Contact and Flipped Base | 分子名称: | 5'-D(P*TP*CP*AP*CP*AP*GP*GP*AP*TP*CP*CP*TP*GP*TP*GP*A)-3', DNA adenine methylase, SINEFUNGIN | 著者 | Horton, J.R, Liebert, K, Hattman, S, Jeltsch, A, Cheng, X. | 登録日 | 2005-01-03 | 公開日 | 2005-05-17 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | 主引用文献 | Transition from Nonspecific to Specific DNA Interactions along the Substrate-Recognition Pathway of Dam Methyltransferase. Cell(Cambridge,Mass.), 121, 2005
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3NGG
| X-ray Structure of Omwaprin | 分子名称: | Omwaprin-a | 著者 | Banigan, J.R, Mandal, K, Sawaya, M.R, Thammavongsa, V, Hendrickx, A.P.A, Schneewind, O, Yeates, T.O, Kent, S.B.H. | 登録日 | 2010-06-11 | 公開日 | 2010-09-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Determination of the X-ray structure of the snake venom protein omwaprin by total chemical synthesis and racemic protein crystallography. Protein Sci., 19, 2010
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3NTB
| Structure of 6-methylthio naproxen analog bound to mCOX-2. | 分子名称: | (2S)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Duggan, K.C, Musee, J, Walters, M.J, Harp, J.M, Kiefer, J.R, Oates, J.A, Marnett, L.J. | 登録日 | 2010-07-03 | 公開日 | 2010-09-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen. J.Biol.Chem., 285, 2010
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3NT1
| High resolution structure of naproxen:COX-2 complex. | 分子名称: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Duggan, K.C, Musee, J, Walters, M.J, Harp, J.M, Kiefer, J.R, Oates, J.A, Marnett, L.J. | 登録日 | 2010-07-02 | 公開日 | 2010-09-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen. J.Biol.Chem., 285, 2010
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3NPL
| Structure of Ru(bpy)2(A-Phen)(K97C) P450 BM3 heme domain, a ruthenium modified P450 BM3 mutant | 分子名称: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | 著者 | Ener, M, Lee, Y.-T, Goodin, D.B, Winkler, J.R, Gray, H.B, Cheruzel, L. | 登録日 | 2010-06-28 | 公開日 | 2010-08-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of Ru(bpy)2(A-Phen)(K97C) P450 BM3 heme domain, a ruthenium modified P450 BM3 mutant To be Published
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3EML
| The 2.6 A Crystal Structure of a Human A2A Adenosine Receptor bound to ZM241385. | 分子名称: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Human Adenosine A2A receptor/T4 lysozyme chimera, STEARIC ACID, ... | 著者 | Jaakola, V.-P, Griffith, M.T, Hanson, M.A, Cherezov, V, Chien, E.Y.T, Lane, J.R, Ijzerman, A.P, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | 登録日 | 2008-09-24 | 公開日 | 2008-10-14 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The 2.6 Angstrom Crystal Structure of a Human A2A Adenosine Receptor Bound to an Antagonist. Science, 322, 2008
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3EBQ
| Crystal structure of human PPPDE1 | 分子名称: | MERCURY (II) ION, MOLECULE: PPPDE1 (PERMUTED PAPAIN FOLD PEPTIDASES OF DSRNA VIRUSES AND EUKARYOTES 1), UPF0326 protein FAM152B | 著者 | Walker, J.R, Akutsu, M, Qiu, L, Li, Y, Slessarev, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | 登録日 | 2008-08-28 | 公開日 | 2008-11-04 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of Human PPPDE1 To be Published
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3ELA
| Crystal structure of active site inhibited coagulation factor VIIA mutant in complex with soluble tissue factor | 分子名称: | CALCIUM ION, Coagulation factor VIIA heavy chain, Coagulation factor VIIA light chain, ... | 著者 | Bjelke, J.R, Fodje, M, Svensson, L.A. | 登録日 | 2008-09-21 | 公開日 | 2008-11-04 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Mechanism of the Ca2+-induced enhancement of the intrinsic factor VIIa activity J.Biol.Chem., 283, 2008
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3EPZ
| Structure of the replication foci-targeting sequence of human DNA cytosine methyltransferase DNMT1 | 分子名称: | DNA (cytosine-5)-methyltransferase 1, GLYCEROL, SODIUM ION, ... | 著者 | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | 登録日 | 2008-09-30 | 公開日 | 2008-11-25 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | The replication focus targeting sequence (RFTS) domain is a DNA-competitive inhibitor of Dnmt1. J.Biol.Chem., 286, 2011
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3EU9
| The ankyrin repeat domain of Huntingtin interacting protein 14 | 分子名称: | GLYCEROL, HISTIDINE, Huntingtin-interacting protein 14, ... | 著者 | Gao, T, Collins, R.E, Horton, J.R, Zhang, R, Zhang, X, Cheng, X. | 登録日 | 2008-10-09 | 公開日 | 2009-06-23 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | The ankyrin repeat domain of Huntingtin interacting protein 14 contains a surface aromatic cage, a potential site for methyl-lysine binding. Proteins, 76, 2009
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3FBM
| D431N Mutant VP2 Protein of Infectious Bursal Disease Virus; Derived T=1 Particles | 分子名称: | CALCIUM ION, Polyprotein | 著者 | Irigoyen, N, Garriga, D, Navarro, A, Verdaguer, N, Rodriguez, J.F, Caston, J.R. | 登録日 | 2008-11-19 | 公開日 | 2009-01-13 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Autoproteolytic Activity Derived from the Infectious Bursal Disease Virus Capsid Protein J.Biol.Chem., 284, 2009
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3EZR
| CDK-2 with indazole inhibitor 17 bound at its active site | 分子名称: | 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2 | 著者 | Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X. | 登録日 | 2008-10-23 | 公開日 | 2009-02-03 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor Bioorg.Med.Chem.Lett., 19, 2009
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1Y6L
| Human ubiquitin conjugating enzyme E2E2 | 分子名称: | Ubiquitin-conjugating enzyme E2E2 | 著者 | Walker, J.R, Avvakumov, G.V, Newman, E.M, Mackenzie, F, Kozieradzki, I, Bochkarev, A, Sundstrom, M, Arrowsmith, C, Edwards, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | 登録日 | 2004-12-06 | 公開日 | 2005-01-11 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
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1Y28
| Crystal structure of the R220A metBJFIXL HEME domain | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Sensor protein fixL | 著者 | Dunham, C.M, Dioum, E.M, Tuckerman, J.R, Gonzalez, G, Scott, W.G, Gilles-Gonzalez, M.A. | 登録日 | 2004-11-21 | 公開日 | 2004-12-07 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A distal arginine in the oxygen-sensing heme-PAS domains is essential to ligand binding, signal transduction, and structure Biochemistry, 42, 2003
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1Y7Q
| Mammalian SCAN domain dimer is a domain-swapped homologue of the HIV capsid C-terminal domain | 分子名称: | Zinc finger protein 174 | 著者 | Ivanov, D, Stone, J.R, Maki, J.L, Collins, T, Wagner, G. | 登録日 | 2004-12-09 | 公開日 | 2005-01-18 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Mammalian SCAN Domain Dimer Is a Domain-Swapped Homolog of the HIV Capsid C-Terminal Domain Mol.Cell, 17, 2005
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1YD9
| 1.6A Crystal Structure of the Non-Histone Domain of the Histone Variant MacroH2A1.1. | 分子名称: | Core histone macro-H2A.1, GOLD ION | 著者 | Chakravarthy, S, Swamy, G.Y.S.K, Caron, C, Perche, P.Y, Pehrson, J.R, Khochbin, S, Luger, K. | 登録日 | 2004-12-23 | 公開日 | 2005-09-27 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural characterization of the histone variant macroH2A Mol.Cell.Biol., 25, 2005
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1YH2
| Ubiquitin-Conjugating Enzyme HSPC150 | 分子名称: | HSPC150 protein similar to ubiquitin-conjugating enzyme | 著者 | Walker, J.R, Avvakumov, G.V, Newman, E.M, Mackenzie, F, Kozieradzki, I, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-paganon, S, Structural Genomics Consortium (SGC) | 登録日 | 2005-01-06 | 公開日 | 2005-02-15 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
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1YGH
| HAT DOMAIN OF GCN5 FROM SACCHAROMYCES CEREVISIAE | 分子名称: | GLYCEROL, PROTEIN (TRANSCRIPTIONAL ACTIVATOR GCN5) | 著者 | Trievel, R.C, Rojas, J.R, Sterner, D.E, Venkataramani, R, Wang, L, Zhou, J, Allis, C.D, Berger, S.L, Marmorstein, R. | 登録日 | 1999-05-27 | 公開日 | 1999-08-02 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure and mechanism of histone acetylation of the yeast GCN5 transcriptional coactivator. Proc.Natl.Acad.Sci.USA, 96, 1999
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