7AW2
 
 | | MerTK kinase domain with type 1.5 inhibitor from a DNA-encoded library | | 分子名称: | 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine, Tyrosine-protein kinase Mer | | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
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7AW4
 | | MerTK kinase domain with type 3 inhibitor from a DNA-encoded library | | 分子名称: | 1,2-ETHANEDIOL, 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-N-((R)-1-(((R)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl)phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl)isoxazole-4-carboxamide, CHLORIDE ION, ... | | 著者 | Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
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8FTG
 | | Biophysical and Structural Characterization of an Anti-Caffeine VHH Antibody | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-Caffeine VHH Antibody, CAFFEINE, ... | | 著者 | Horn, J.R, Smith, C.A, Sonneson, G.J, Walter, R. | | 登録日 | 2023-01-12 | | 公開日 | 2023-06-07 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Molecular recognition requires dimerization of a VHH antibody.
Mabs, 15, 2023
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1RY6
 | | Crystal Structure of Internal Kinesin Motor Domain | | 分子名称: | INTERNAL KINESIN, SULFATE ION | | 著者 | Shipley, K, Hekmat-Nejad, M, Turner, J, Moores, C, Anderson, R, Milligan, R, Sakowicz, R, Fletterick, R. | | 登録日 | 2003-12-19 | | 公開日 | 2004-04-13 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure of a kinesin microtubule depolymerization machine.
Embo J., 23, 2004
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7AW1
 | | MerTK kinase domain in complex with a type 2 inhibitor | | 分子名称: | N-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide, Tyrosine-protein kinase Mer | | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
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7AVZ
 | | MerTK kinase domain in complex with a bisaminopyrimidine inhibitor | | 分子名称: | (R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine, Tyrosine-protein kinase Mer | | 著者 | Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
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7AW3
 | | MerTK kinase domain with type 1 inhibitor from a DNA-encoded library | | 分子名称: | 2-(1-((5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-N-methyl-4-(trifluoromethyl)thiazole-5-carboxamide, Tyrosine-protein kinase Mer | | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
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7E2Q
 | | Crystal structure of Mycoplasma pneumoniae Enolase | | 分子名称: | Enolase, SULFATE ION | | 著者 | Chen, R, Zhang, S, Gan, R, Wang, W, Ran, T, Xiong, Q, Shao, G, Feng, Z. | | 登録日 | 2021-02-07 | | 公開日 | 2022-02-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Evidence for the Rapid and Divergent Evolution of Mycoplasmas: Structural and Phylogenetic Analysis of Enolases.
Front Mol Biosci, 8, 2022
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1HUE
 | | HISTONE-LIKE PROTEIN | | 分子名称: | HU PROTEIN | | 著者 | Vis, H, Mariani, M, Vorgias, C.E, Wilson, K.S, Kaptein, R, Boelens, R. | | 登録日 | 1995-05-26 | | 公開日 | 1995-10-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the HU protein from Bacillus stearothermophilus.
J.Mol.Biol., 254, 1995
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1HRA
 | | THE SOLUTION STRUCTURE OF THE HUMAN RETINOIC ACID RECEPTOR-BETA DNA-BINDING DOMAIN | | 分子名称: | RETINOIC ACID RECEPTOR, ZINC ION | | 著者 | Knegtel, R.M.A, Katahira, M, Schilthuis, J.G, Bonvin, A.M.J.J, Boelens, R, Eib, D, Van Der Saag, P.T, Kaptein, R. | | 登録日 | 1993-07-25 | | 公開日 | 1994-01-31 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The solution structure of the human retinoic acid receptor-beta DNA-binding domain.
J.Biomol.NMR, 3, 1993
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6SLB
 | | Crystal structure of isomerase PaaG with trans-3,4-didehydroadipyl-CoA | | 分子名称: | (~{E})-6-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid, Enoyl-CoA hydratase/carnithine racemase | | 著者 | Saleem-Batcha, R, Spieker, M, Teufel, R. | | 登録日 | 2019-08-19 | | 公開日 | 2019-12-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Structural and Mechanistic Basis of an Oxepin-CoA Forming Isomerase in Bacterial Primary and Secondary Metabolism.
Acs Chem.Biol., 14, 2019
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6UW7
 | | The crystal structure of FbiA from Mycobacterium smegmatis, Dehydro-F420-0 bound form | | 分子名称: | 2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxyprop-2-enoic acid, CALCIUM ION, GLYCEROL, ... | | 著者 | Grinter, R, Gillett, D, Cordero, P.R.F, Izore, T, Greening, C. | | 登録日 | 2019-11-04 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.342 Å) | | 主引用文献 | Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
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6UVX
 | | The crystal structure of FbiA from Mycobacterium Smegmatis, Apo state | | 分子名称: | CALCIUM ION, Phosphoenolpyruvate transferase | | 著者 | Grinter, R, Gillett, D, Cordero, P.R.F, Greening, C. | | 登録日 | 2019-11-04 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
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6SGG
 | | Crystal structure of monooxygenase RutA complexed with dioxygen under 1.5 MPa / 15 bars of oxygen pressure. | | 分子名称: | FLAVIN MONONUCLEOTIDE, GLYCEROL, OXYGEN MOLECULE, ... | | 著者 | Saleem-Batcha, R, Matthews, A, Teufel, R. | | 登録日 | 2019-08-04 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Aminoperoxide adducts expand the catalytic repertoire of flavin monooxygenases.
Nat.Chem.Biol., 16, 2020
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6UW5
 | | The crystal structure of FbiA from Mycobacterium smegmatis, GDP and Fo bound form | | 分子名称: | 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Grinter, R, Gillett, D, Cordero, P.R.F, Greening, C. | | 登録日 | 2019-11-04 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
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6SGL
 | | Crystal structure of monooxygenase RutA complexed with Uracil under atmospheric pressure. | | 分子名称: | FLAVIN MONONUCLEOTIDE, Pyrimidine monooxygenase RutA, SULFATE ION, ... | | 著者 | Saleem-Batcha, R, Matthews, A, Teufel, R. | | 登録日 | 2019-08-05 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Aminoperoxide adducts expand the catalytic repertoire of flavin monooxygenases.
Nat.Chem.Biol., 16, 2020
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5IDK
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5IIQ
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5IJJ
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5IJP
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6UW3
 | | The crystal structure of FbiA from Mycobacterium Smegmatis, GDP Bound form | | 分子名称: | CALCIUM ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Grinter, R, Gillett, D, Cordero, P.R.F, Greening, C. | | 登録日 | 2019-11-04 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
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5J6S
 | | Crystal structure of Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) in complex with a hydroxamic derivative ligand | | 分子名称: | (2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide, 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 | Saridakis, E, Giastas, P, Mpakali, A, Deprez-Poulain, R, Stratikos, E. | | 登録日 | 2016-04-05 | | 公開日 | 2017-03-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency.
ACS Med Chem Lett, 8, 2017
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7DCR
 | | cryo-EM structure of the DEAH-box helicase Prp2 in complex with its coactivator Spp2 | | 分子名称: | PRP2 isoform 1, Pre-mRNA-splicing factor SPP2 | | 著者 | Bai, R, Wan, R, Yan, C, Jia, Q, Zhang, P, Lei, J, Shi, Y. | | 登録日 | 2020-10-26 | | 公開日 | 2021-01-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.15 Å) | | 主引用文献 | Mechanism of spliceosome remodeling by the ATPase/helicase Prp2 and its coactivator Spp2.
Science, 371, 2021
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7DCQ
 | | cryo-EM structure of the DEAH-box helicase Prp2 | | 分子名称: | PRP2 isoform 1 | | 著者 | Bai, R, Wan, R, Yan, C, Jia, Q, Zhang, P, Lei, J, Shi, Y. | | 登録日 | 2020-10-26 | | 公開日 | 2021-01-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Mechanism of spliceosome remodeling by the ATPase/helicase Prp2 and its coactivator Spp2.
Science, 371, 2021
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7BG9
 | | The catalytic core lobe of human telomerase in complex with a telomeric DNA substrate | | 分子名称: | DNA (5'-D(P*TP*TP*AP*GP*GP*G)-3'), Histone H2A, Histone H2B, ... | | 著者 | Nguyen, T.H.D, Ghanim, G.E, Fountain, A.J, van Roon, A.M.M, Rangan, R, Das, R, Collins, K. | | 登録日 | 2021-01-06 | | 公開日 | 2021-04-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structure of human telomerase holoenzyme with bound telomeric DNA.
Nature, 593, 2021
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