2J7T
 
 | | Crystal structure of human serine threonine kinase-10 bound to SU11274 | | 分子名称: | (3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)-N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE, ACETATE ION, CALCIUM ION, ... | | 著者 | Pike, A.C.W, Rellos, P, Fedorov, O, Das, S, Debreczeni, J, Sobott, F, Watt, S, Savitsky, P, Eswaran, J, Turnbull, A.P, Papagrigoriou, E, Ugochukwa, E, Gorrec, F, Umeano, C.C, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | | 登録日 | 2006-10-17 | | 公開日 | 2006-11-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites.
Embo J., 27, 2008
|
|
5K3F
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate - Cocrystallized - Single Protomer Reacted with Ligand | | 分子名称: | CHLORIDE ION, Fluoroacetate dehalogenase | | 著者 | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | | 登録日 | 2016-05-19 | | 公開日 | 2017-02-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
|
|
8UQN
 | | PLCb3-Gaq complex on membranes | | 分子名称: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Falzone, M.E, MacKinnon, R. | | 登録日 | 2023-10-24 | | 公開日 | 2023-12-06 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | The mechanism of G alpha q regulation of PLC beta 3 -catalyzed PIP2 hydrolysis.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
6X3A
 | |
7COY
 | | Structure of the far-red light utilizing photosystem I of Acaryochloris marina | | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, CHLOROPHYLL D, ... | | 著者 | Kawakami, K, Yonekura, K, Hamaguchi, T, Kashino, Y, Shinzawa-Itoh, K, Inoue-Kashino, N, Itoh, S, Ifuku, K, Yamashita, E. | | 登録日 | 2020-08-05 | | 公開日 | 2021-03-31 | | 最終更新日 | 2021-05-05 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Structure of the far-red light utilizing photosystem I of Acaryochloris marina.
Nat Commun, 12, 2021
|
|
1ATP
 | | 2.2 angstrom refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with MNATP and a peptide inhibitor | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, PEPTIDE INHIBITOR PKI(5-24), ... | | 著者 | Zheng, J, Trafny, E.A, Knighton, D.R, Xuong, N.-H, Taylor, S.S, Teneyck, L.F, Sowadski, J.M. | | 登録日 | 1993-01-08 | | 公開日 | 1993-04-15 | | 最終更新日 | 2019-08-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | 2.2 A refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with MnATP and a peptide inhibitor.
Acta Crystallogr.,Sect.D, 49, 1993
|
|
6X39
 | |
7U9I
 | | Co-crystal structure of human CARM1 in complex with MT556 inhibitor | | 分子名称: | 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION | | 著者 | Zeng, H, Perveen, S, Dong, A, Hutchinson, A, Seitova, A, Gibson, E, Hajian, T, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | 登録日 | 2022-03-10 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Co-crystal structure of human CARM1 in complex with MT556 inhibitor
To Be Published
|
|
6X38
 | |
7LKO
 | |
1UXR
 | | Structural basis for allosteric regulation and substrate specificity of the non-phosphorylating glyceraldehyde-3-phosphate dehydrogenase (GAPN) from Thermoproteus tenax | | 分子名称: | 6-O-phosphono-beta-D-fructofuranose, GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE (NADP+), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Lorentzen, E, Hensel, R, Pohl, E. | | 登録日 | 2004-03-01 | | 公開日 | 2004-08-05 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Basis of Allosteric Regulation and Substrate Specificity of the Non-Phosphorylating Glyceraldehyde 3-Phosphate Dehydrogenase from Thermoproteus Tenax
J.Mol.Biol., 341, 2004
|
|
3JCR
 | | 3D structure determination of the human*U4/U6.U5* tri-snRNP complex | | 分子名称: | LSm2, LSm3, LSm4, ... | | 著者 | Agafonov, D.E, Kastner, B, Dybkov, O, Hofele, R.V, Liu, W.T, Urlaub, H, Luhrmann, R, Stark, H. | | 登録日 | 2016-01-21 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (7 Å) | | 主引用文献 | Molecular architecture of the human U4/U6.U5 tri-snRNP.
Science, 351, 2016
|
|
7LKN
 | |
5MMV
 | | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) | | 分子名称: | (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | | 著者 | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | | 登録日 | 2016-12-12 | | 公開日 | 2017-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1)
To Be Published
|
|
3G2N
 | | Crystal structure of N-acylglucosylamine with glycogen phosphorylase | | 分子名称: | Glycogen phosphorylase, muscle form, N-(phenylcarbonyl)-beta-D-glucopyranosylamine | | 著者 | Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L. | | 登録日 | 2009-01-31 | | 公開日 | 2010-02-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
|
|
6QYL
 | | Structure of MBP-Mcl-1 in complex with compound 8a | | 分子名称: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | 登録日 | 2019-03-09 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
|
|
7LKM
 | |
1QHJ
 | | X-RAY STRUCTURE OF BACTERIORHODOPSIN GROWN IN LIPIDIC CUBIC PHASES | | 分子名称: | 1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE, PROTEIN (BACTERIORHODOPSIN), RETINAL | | 著者 | Belrhali, H, Nollert, P, Royant, A, Menzel, C, Rosenbusch, J.P, Landau, E.M, Pebay-Peyroula, E. | | 登録日 | 1999-05-04 | | 公開日 | 1999-07-21 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Protein, lipid and water organization in bacteriorhodopsin crystals: a molecular view of the purple membrane at 1.9 A resolution.
Structure Fold.Des., 7, 1999
|
|
5MU8
 | | HUMAN TNF-ALPHA IN COMPLEX WITH JNJ525 | | 分子名称: | Tumor necrosis factor, ~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine | | 著者 | Blevitt, J.M, Hack, M.D, Herman, K.L, Jackson, P.F, Krawczuk, P.J, Lebsack, A.D, Liu, A.X, Mirzadegan, T, Nelen, M.I, Patrick, A.P, Steinbacher, S, Milla, M.E, Lumb, K.J. | | 登録日 | 2017-01-12 | | 公開日 | 2017-03-29 | | 最終更新日 | 2019-02-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural Basis of Small-Molecule Aggregate Induced Inhibition of a Protein-Protein Interaction.
J. Med. Chem., 60, 2017
|
|
5KCE
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl, 2-chlorobenzyl OBHS-N derivative | | 分子名称: | (1S,2R,4S)-N-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | | 登録日 | 2016-06-06 | | 公開日 | 2016-11-16 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.847 Å) | | 主引用文献 | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
|
|
4Q4B
 | | Crystal structure of LIMP-2 (space group C2221) | | 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, Lysosome membrane protein 2, ... | | 著者 | Zhao, Y, Ren, J, Padilla-Parra, S, Fry, L.E, Stuart, D.I. | | 登録日 | 2014-04-14 | | 公開日 | 2014-07-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | | 主引用文献 | Lysosome sorting of beta-glucocerebrosidase by LIMP-2 is targeted by the mannose 6-phosphate receptor.
Nat Commun, 5, 2014
|
|
7UF8
 | | Structure of CtdP in complex with penicimutamide E and NADP+ | | 分子名称: | 1,2-ETHANEDIOL, CtdP, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Rivera, S, Liu, Z, Newmister, S.A, Gao, X, Sherman, D.H. | | 登録日 | 2022-03-22 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-04-19 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | An NmrA-like enzyme-catalysed redox-mediated Diels-Alder cycloaddition with anti-selectivity.
Nat.Chem., 15, 2023
|
|
5X6J
 | | Crystal structure of B. globisporus adenylate kinase variant | | 分子名称: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ZINC ION | | 著者 | Moon, S, Bae, E. | | 登録日 | 2017-02-22 | | 公開日 | 2018-02-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural and mutational analyses of psychrophilic and mesophilic adenylate kinases highlight the role of hydrophobic interactions in protein thermal stability.
Struct Dyn., 6, 2019
|
|
2W1I
 | | Structure determination of Aurora Kinase in complex with inhibitor | | 分子名称: | 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM, JAK2 | | 著者 | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | | 登録日 | 2008-10-17 | | 公開日 | 2009-01-27 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
|
|
6NTZ
 | | Crystal structure of E. coli PBP5-meropenem | | 分子名称: | (2S,3R,4S)-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, D-alanyl-D-alanine carboxypeptidase | | 著者 | Caveney, N.A, Strynadka, N.C.J, Caballero, G, Worrall, L.J. | | 登録日 | 2019-01-30 | | 公開日 | 2019-03-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural insight into YcbB-mediated beta-lactam resistance in Escherichia coli.
Nat Commun, 10, 2019
|
|
