8CV4
| Peptide 4.2C in complex with BRD4.2 | 分子名称: | ACETYL GROUP, AMINO GROUP, BRD4 protein, ... | 著者 | Franck, C, Mackay, J.P. | 登録日 | 2022-05-18 | 公開日 | 2023-05-24 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins. Structure, 31, 2023
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8CV6
| Peptide 4.2B in complex with BRD4.2 | 分子名称: | ACETYL GROUP, AMINO GROUP, BRD4 protein, ... | 著者 | Franck, C, Mackay, J.P. | 登録日 | 2022-05-18 | 公開日 | 2023-05-24 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins. Structure, 31, 2023
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1ZJN
| Human DNA Polymerase beta complexed with DNA containing an A-A mismatched primer terminus with dGTP | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | 著者 | Batra, V.K, Beard, W.A, Shock, D.D, Pedersen, L.C, Wilson, S.H. | 登録日 | 2005-04-29 | 公開日 | 2005-08-16 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Nucleotide-induced DNA polymerase active site motions accommodating a mutagenic DNA intermediate. STRUCTURE, 13, 2005
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7XFW
| Crystal structure of the ternary complex of Peptidoglycan recognition protein, PGRP-S with hexanoic and tartaric acids at 2.07 A resolution. | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | 著者 | Maurya, A, Singh, P.K, Viswanathan, V, Sharma, P, Sharma, S, Singh, T.P. | 登録日 | 2022-04-02 | 公開日 | 2022-05-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Structure of the complex of camel peptidoglycan recognition protein-S with hexanoic acid reveals novel features of the versatile ligand-binding site at the dimeric interface. Biochim Biophys Acta Proteins Proteom, 1871, 2022
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6DWM
| Structure of Human Cytochrome P450 1A1 with Bergamottin | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one, Cytochrome P450 1A1, ... | 著者 | Bart, A.G, Scott, E.E. | 登録日 | 2018-06-26 | 公開日 | 2018-10-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands. J. Biol. Chem., 293, 2018
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5LOO
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6GRR
| Crystal structure of Escherichia coli amine oxidase mutant I342F/E573Q | 分子名称: | Amine oxidase, CALCIUM ION, COPPER (II) ION, ... | 著者 | Gaule, T.G, Smith, M.A, Tych, K.M, Pirrat, P, Trinh, C.H, Pearson, A.R, Knowles, P.F, McPherson, M.J. | 登録日 | 2018-06-12 | 公開日 | 2018-09-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Oxygen Activation Switch in the Copper Amine Oxidase of Escherichia coli. Biochemistry, 57, 2018
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6GNV
| Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a isopropyl methyl indole aryl sulphonamide ligand | 分子名称: | GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ... | 著者 | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | 登録日 | 2018-05-31 | 公開日 | 2018-10-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors. J. Med. Chem., 61, 2018
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1KLR
| NMR Structure of the ZFY-6T[Y10F] Zinc Finger | 分子名称: | ZINC FINGER Y-CHROMOSOMAL PROTEIN, ZINC ION | 著者 | Lachenmann, M.J, Ladbury, J.E, Phillips, N.B, Narayana, N, Qian, X, Weiss, M.A. | 登録日 | 2001-12-12 | 公開日 | 2002-03-13 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | The hidden thermodynamics of a zinc finger. J.Mol.Biol., 316, 2002
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5M50
| Mechanism of microtubule minus-end recognition and protection by CAMSAP proteins | 分子名称: | Calmodulin-regulated spectrin-associated protein 3, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Akhmanova, A, Moores, C.A, Baldus, M, Steinmetz, M.O, Topf, M, Roberts, A.J, Grant, B.J, Scarabelli, G, Joseph, A.-P, van Hooff, J.J.E, Houben, K, Hua, S, Luo, Y, Stangier, M.M, Jiang, K, Atherton, J. | 登録日 | 2016-10-20 | 公開日 | 2017-10-04 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (5.3 Å) | 主引用文献 | A structural model for microtubule minus-end recognition and protection by CAMSAP proteins. Nat. Struct. Mol. Biol., 24, 2017
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5LCB
| In situ atomic-resolution structure of the baseplate antenna complex in Chlorobaculum tepidum obtained combining solid-state NMR spectroscopy, cryo electron microscopy and polarization spectroscopy | 分子名称: | BACTERIOCHLOROPHYLL A, Bacteriochlorophyll c-binding protein | 著者 | Nielsen, J.T, Kulminskaya, N.V, Bjerring, M, Linnanto, J.M, Ratsep, M, Pedersen, M, Lambrev, P.H, Dorogi, M, Garab, G, Thomsen, K, Jegerschold, C, Frigaard, N.U, Lindahl, M, Nielsen, N.C. | 登録日 | 2016-06-20 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-13 | 実験手法 | ELECTRON MICROSCOPY (26.5 Å), SOLID-STATE NMR | 主引用文献 | In situ high-resolution structure of the baseplate antenna complex in Chlorobaculum tepidum. Nat Commun, 7, 2016
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5LYM
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7WZ8
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5M5K
| S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii in complex with adenosine and cordycepin | 分子名称: | 3'-DEOXYADENOSINE, ACETATE ION, ADENOSINE, ... | 著者 | Manszewski, T, Mueller-Dieckamann, J, Jaskolski, M. | 登録日 | 2016-10-21 | 公開日 | 2017-05-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Crystallographic and SAXS studies of S-adenosyl-l-homocysteine hydrolase from Bradyrhizobium elkanii. IUCrJ, 4, 2017
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5M65
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6GIK
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6TX3
| HPF1 bound to catalytic fragment of PARP2 | 分子名称: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Histone PARylation factor 1, Poly [ADP-ribose] polymerase 2,Poly [ADP-ribose] polymerase 2 | 著者 | Suskiewicz, M.J, Ahel, I. | 登録日 | 2020-01-13 | 公開日 | 2020-02-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | 主引用文献 | HPF1 completes the PARP active site for DNA damage-induced ADP-ribosylation. Nature, 579, 2020
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4XPV
| Neutron and X-ray structure analysis of xylanase: N44D at pH6 | 分子名称: | Endo-1,4-beta-xylanase 2, IODIDE ION | 著者 | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | 登録日 | 2015-01-18 | 公開日 | 2015-09-30 | 最終更新日 | 2023-09-27 | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | 主引用文献 | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XQW
| X-ray structure analysis of xylanase-N44E with MES at pH6.0 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION | 著者 | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | 登録日 | 2015-01-20 | 公開日 | 2015-09-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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6DLZ
| Open state GluA2 in complex with STZ after micelle signal subtraction | 分子名称: | CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit | 著者 | Twomey, E.C, Yelshanskaya, M.V, Vassilevski, A.A, Sobolevsky, A.I. | 登録日 | 2018-06-04 | 公開日 | 2018-08-22 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Mechanisms of Channel Block in Calcium-Permeable AMPA Receptors. Neuron, 99, 2018
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2DHF
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2IKI
| Human aldose reductase complexed with halogenated IDD-type inhibitor | 分子名称: | (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Steuber, H, Koch, C, Heine, A, Klebe, G. | 登録日 | 2006-10-02 | 公開日 | 2007-05-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Structural and Thermodynamic Study on Aldose Reductase: Nitro-substituted Inhibitors with Strong Enthalpic Binding Contribution J.Mol.Biol., 368, 2007
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8GB1
| Crystal structure of SAMHD1 dimer bound to deoxyguanosine linked inhibitor | 分子名称: | 5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION | 著者 | Egleston, M, Dong, L, Howlader, A.H, Bhat, S, Orris, B, Bianchet, M.A, Greenberg, M.M, Stivers, J.T. | 登録日 | 2023-02-24 | 公開日 | 2023-06-07 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Deoxyguanosine-Linked Bifunctional Inhibitor of SAMHD1 dNTPase Activity and Nucleic Acid Binding. Acs Chem.Biol., 18, 2023
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5MA0
| PCE reductive dehalogenase from S. multivorans in complex with 2,6-dichlorophenol | 分子名称: | 2,6-dichlorophenol, GLYCEROL, IRON/SULFUR CLUSTER, ... | 著者 | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | 登録日 | 2016-11-02 | 公開日 | 2017-07-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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6GWR
| Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of DDR1 and DDR2 | 分子名称: | 1,2-ETHANEDIOL, 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide, Epithelial discoidin domain-containing receptor 1, ... | 著者 | Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2018-06-25 | 公開日 | 2018-08-08 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2. J. Med. Chem., 61, 2018
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