6CPW
| Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology | 分子名称: | (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Hruza, A, Hruza, A. | 登録日 | 2018-03-14 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology. Bioorg. Med. Chem. Lett., 28, 2018
|
|
5OOT
| Structure of CHK1 10-pt. mutant complex with aminopyrimido-benzodiazepinone LRRK2 inhibitor | 分子名称: | 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | 登録日 | 2017-08-08 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J. Med. Chem., 60, 2017
|
|
5OP2
| Structure of CHK1 10-pt. mutant complex with arylbenzamide LRRK2 inhibitor | 分子名称: | 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | 登録日 | 2017-08-09 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J. Med. Chem., 60, 2017
|
|
5OPB
| Structure of CHK1 10-pt. mutant complex with indazole LRRK2 inhibitor | 分子名称: | (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | 登録日 | 2017-08-09 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J. Med. Chem., 60, 2017
|
|
3P5X
| Actinidin from Actinidia arguta planch (Sarusashi) | 分子名称: | Actinidin, CADMIUM ION | 著者 | Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A. | 登録日 | 2010-10-11 | 公開日 | 2010-11-03 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources Acta Crystallogr.,Sect.D, 66, 2010
|
|
5OQ8
| Structure of CHK1 12-pt. mutant complex with arylbenzamide LRRK2 inhibitor | 分子名称: | 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | 登録日 | 2017-08-10 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J. Med. Chem., 60, 2017
|
|
5OPU
| Structure of CHK1 10-pt. mutant complex with pyrrolopyridine LRRK2 inhibitor | 分子名称: | 6-azanyl-4-(3-methylphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | 登録日 | 2017-08-10 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J. Med. Chem., 60, 2017
|
|
3P5U
| Actinidin from Actinidia arguta planch (Sarusashi) | 分子名称: | Actinidin, CADMIUM ION | 著者 | Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A. | 登録日 | 2010-10-11 | 公開日 | 2010-11-03 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources Acta Crystallogr.,Sect.D, 66, 2010
|
|
4NHU
| |
3P5V
| Actinidin from Actinidia arguta planch (Sarusashi) | 分子名称: | Actinidin, CADMIUM ION | 著者 | Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A. | 登録日 | 2010-10-11 | 公開日 | 2010-11-03 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources Acta Crystallogr.,Sect.D, 66, 2010
|
|
3LMU
| Crystal structure of DTD from Plasmodium falciparum | 分子名称: | D-tyrosyl-tRNA(Tyr) deacylase, IODIDE ION | 著者 | Manickam, Y, Bhatt, T.K, Khan, S, Sharma, A. | 登録日 | 2010-02-01 | 公開日 | 2010-03-02 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Structure of D-tyrosyl-tRNATyr deacylase using home-source Cu Kalpha and moderate-quality iodide-SAD data: structural polymorphism and HEPES-bound enzyme states Acta Crystallogr.,Sect.D, 66, 2010
|
|
3LMT
| Crystal structure of DTD from Plasmodium falciparum | 分子名称: | D-tyrosyl-tRNA(Tyr) deacylase, IODIDE ION | 著者 | Manickam, Y, Bhatt, T.K, Khan, S, Sharma, A. | 登録日 | 2010-02-01 | 公開日 | 2010-03-02 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Structure of D-tyrosyl-tRNATyr deacylase using home-source Cu Kalpha and moderate-quality iodide-SAD data: structural polymorphism and HEPES-bound enzyme states Acta Crystallogr.,Sect.D, 66, 2010
|
|
1TX4
| RHO/RHOGAP/GDP(DOT)ALF4 COMPLEX | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, P50-RHOGAP, ... | 著者 | Rittinger, K, Walker, P.A, Smerdon, S.J, Gamblin, S.J. | 登録日 | 1997-07-29 | 公開日 | 1998-09-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structure at 1.65 A of RhoA and its GTPase-activating protein in complex with a transition-state analogue. Nature, 389, 1997
|
|
1LM4
| Structure of Peptide Deformylase from Staphylococcus aureus at 1.45 A | 分子名称: | FE (III) ION, GLYCEROL, peptide deformylase PDF1 | 著者 | Kreusch, A, Spraggon, G, Lee, C.C, Klock, H, McMullan, D, Ng, K, Shin, T, Vincent, J, Warner, I, Ericson, C, Lesley, S.A. | 登録日 | 2002-04-30 | 公開日 | 2003-06-24 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure analysis of peptide deformylases from streptococcus pneumoniae,staphylococcus aureus, thermotoga maritima, and pseudomonas aeruginosa: snapshots of the oxygen sensitivity of peptide deformylase J.MOL.BIOL., 330, 2003
|
|
1LM6
| Crystal Structure of Peptide Deformylase from Streptococcus pneumoniae | 分子名称: | FE (III) ION, GLYCEROL, peptide deformylase DEFB | 著者 | Kreusch, A, Spraggon, G, Lee, C.C, Klock, H, McMullan, D, Ng, K, Shin, T, Vincent, J, Warner, I, Ericson, C, Lesley, S.A. | 登録日 | 2002-04-30 | 公開日 | 2003-06-24 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure analysis of peptide deformylases from streptococcus pneumoniae,staphylococcus aureus, thermotoga maritima, and pseudomonas aeruginosa: snapshots of the oxygen sensitivity of peptide deformylase J.MOL.BIOL., 330, 2003
|
|
5Z79
| Crystal Structure Analysis of the HPPK-DHPS in complex with substrates | 分子名称: | 4-AMINOBENZOIC ACID, 5'-DEOXYADENOSINE, 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE, ... | 著者 | Manickam, Y, Karl, H, Sharma, A. | 登録日 | 2018-01-27 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structure of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase-dihydropteroate synthase fromPlasmodium vivaxsheds light on drug resistance J. Biol. Chem., 293, 2018
|
|
2Q2L
| Crystal Structure of Superoxide Dismutase from P. atrosanguina | 分子名称: | IODIDE ION, Superoxide Dismutase, ZINC ION | 著者 | Manickam, Y, Gill, J, Mishra, P.C, Sharma, A. | 登録日 | 2007-05-29 | 公開日 | 2008-03-25 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.367 Å) | 主引用文献 | SAD phasing of a structure based on cocrystallized iodides using an in-house Cu Kalpha X-ray source: effects of data redundancy and completeness on structure solution Acta Crystallogr.,Sect.D, 63, 2007
|
|
3VKE
| |
1N5N
| Crystal Structure of Peptide Deformylase from Pseudomonas aeruginosa | 分子名称: | GLYCEROL, Peptide deformylase, ZINC ION | 著者 | Kreusch, A, Spraggon, G, Lee, C.C, Klock, H, McMullan, D, Ng, K, Shin, T, Vincent, J, Warner, I, Ericson, C, Lesley, S.A. | 登録日 | 2002-11-06 | 公開日 | 2003-06-24 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure analysis of peptide deformylases from streptococcus pneumoniae,staphylococcus aureus, thermotoga maritima, and pseudomonas aeruginosa: snapshots of the oxygen sensitivity of peptide deformylase J.MOL.BIOL., 330, 2003
|
|
5NOA
| Polysaccharide Lyase BACCELL_00875 | 分子名称: | Family 88 glycosyl hydrolase | 著者 | Cartmell, A, Munoz-Munoz, J, Terrapon, N, Basle, A, Henrissat, B, Gilbert, H.J. | 登録日 | 2017-04-11 | 公開日 | 2017-06-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | An evolutionarily distinct family of polysaccharide lyases removes rhamnose capping of complex arabinogalactan proteins. J. Biol. Chem., 292, 2017
|
|
2BUF
| Arginine Feed-Back Inhibitable Acetylglutamate Kinase | 分子名称: | ACETYLGLUTAMATE KINASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | 著者 | Ramon-Maiques, S, Fernandez-Murga, M.L, Vagin, A, Fita, I, Rubio, V. | 登録日 | 2005-06-12 | 公開日 | 2005-12-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Structural Bases of Feed-Back Control of Arginine Biosynthesis, Revealed by the Structure of Two Hexameric N-Acetylglutamate Kinases, from Thermotoga Maritima and Pseudomonas Aeruginosa J.Mol.Biol., 356, 2006
|
|
7F9A
| Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L97 | 分子名称: | 4-[(3S)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, ... | 著者 | Manickam, Y, Malhotra, N, Sharma, A. | 登録日 | 2021-07-04 | 公開日 | 2022-10-05 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog., 19, 2023
|
|
7F98
| Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L95 | 分子名称: | Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, CHLORIDE ION, ... | 著者 | Malhotra, N, Manickam, Y, Sharma, A. | 登録日 | 2021-07-04 | 公開日 | 2022-10-05 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog., 19, 2023
|
|
7F9D
| Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96 | 分子名称: | 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, ... | 著者 | Manickam, Y, Malhotra, N, Sharma, A. | 登録日 | 2021-07-04 | 公開日 | 2022-10-05 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.497 Å) | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog., 19, 2023
|
|
7F9B
| Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L95 | 分子名称: | Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, CHLORIDE ION, ... | 著者 | Manickam, Y, Malhotra, N, Sharma, A. | 登録日 | 2021-07-04 | 公開日 | 2022-10-05 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.995 Å) | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog., 19, 2023
|
|