7ZWE
 
 | | The Crystal structure of GW8695 bound to CK2alpha | | 分子名称: | 7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Casein kinase II subunit alpha | | 著者 | Brear, P, Hyvonen, M. | | 登録日 | 2022-05-19 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 20, 2024
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4R6N
 | | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity | | 分子名称: | 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | | 著者 | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | | 登録日 | 2014-08-26 | | 公開日 | 2015-02-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
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2IX1
 | | RNase II D209N mutant | | 分子名称: | 5'-D(*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP *AP*AP*A)-3', EXORIBONUCLEASE 2, MAGNESIUM ION | | 著者 | Frazao, C, McVey, C.E, Amblar, M, Barbas, A, Vonrhein, C, Arraiano, C.M, Carrondo, M.A. | | 登録日 | 2006-07-05 | | 公開日 | 2006-10-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Unravelling the Dynamics of RNA Degradation by Ribonuclease II and its RNA-Bound Complex
Nature, 443, 2006
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7AKZ
 | | Deciphering the role of the channel constrictions in the opening mechanism of MexAB-OprM efflux pump from Pseudomonas aeruginosa | | 分子名称: | Outer membrane protein OprM, PALMITIC ACID, octyl beta-D-glucopyranoside | | 著者 | Ntsogo Enguene, V.Y, Monlezun, L, Ma, M, Garnier, C, Lascombe, M.B, Salem, M, Guenard, S, Plesiat, P, Llanes, C, Phan, G, Broutin, I. | | 登録日 | 2020-10-02 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Deciphering the role of the channel constrictions in the opening mechanism of MexAB-OprM efflux pump from Pseudomonas aeruginosa
To Be Published
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7ALE
 | | Crystal structure of human PAICS in complex with inhibitor 69 | | 分子名称: | (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide, Multifunctional protein ADE2 | | 著者 | Skerlova, J, Marttila, P, Unterlass, J, Jemth, A.-S, Henriksson, M, Wakchaure, P, Grube, M, Warpman Berglund, U, Homan, E, Helleday, T, Stenmark, P. | | 登録日 | 2020-10-06 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Cellular and biochemical validation of a potent PAICS inhibitor
To Be Published
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7B9E
 | | Crystal structure of MurE from E.coli in complex with Z275151340 | | 分子名称: | 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide, ISOPROPYL ALCOHOL, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase | | 著者 | Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | | 登録日 | 2020-12-14 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Crystal structure of MurE from E.coli
To Be Published
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4R1V
 | | Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors | | 分子名称: | 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor | | 著者 | Blaukat, A, Bladt, F, Friese-Hamim, M, Knuehl, C, Fittschen, C, Graedler, U, Meyring, M, Dorsch, D, Stieber, F, Schadt, O. | | 登録日 | 2014-08-07 | | 公開日 | 2015-03-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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4RI2
 | | Crystal structure of the photoprotective protein PsbS from spinach | | 分子名称: | CHLOROPHYLL A, MERCURY (II) ION, Photosystem II 22 kDa protein, ... | | 著者 | Fan, M, Li, M, Chang, W. | | 登録日 | 2014-10-05 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Crystal structures of the PsbS protein essential for photoprotection in plants.
Nat.Struct.Mol.Biol., 22, 2015
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4RI3
 | | Crystal structure of DCCD-modified PsbS from spinach | | 分子名称: | DICYCLOHEXYLUREA, MERCURY (II) ION, Photosystem II 22 kDa protein, ... | | 著者 | Fan, M, Li, M, Chang, W. | | 登録日 | 2014-10-05 | | 公開日 | 2015-08-12 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structures of the PsbS protein essential for photoprotection in plants.
Nat.Struct.Mol.Biol., 22, 2015
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4RIK
 | | Amyloid forming segment, AVVTGVTAV, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 69-77 | | 分子名称: | Alpha-synuclein | | 著者 | Guenther, E.L, Sawaya, M.R, Ivanova, M, Eisenberg, D.S. | | 登録日 | 2014-10-06 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.854 Å) | | 主引用文献 | Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
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8A8L
 | | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment | | 分子名称: | 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, Cytochrome P450 protein, GLYCEROL, ... | | 著者 | Snee, M, Katariya, M, Levy, C. | | 登録日 | 2022-06-23 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
To Be Published
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8A9P
 | | Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment | | 分子名称: | (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, BROMIDE ION, CHLORIDE ION, ... | | 著者 | Snee, M, Katariya, M, Levy, C, Leys, D. | | 登録日 | 2022-06-29 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment
To Be Published
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4RMS
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4RWA
 | | Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target) | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide | | 著者 | Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | | 登録日 | 2014-12-01 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (3.28 Å) | | 主引用文献 | Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
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4RX0
 | | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265 | | 分子名称: | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | 著者 | Deng, X, Phillips, M, Tomchick, D. | | 登録日 | 2014-12-08 | | 公開日 | 2015-07-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria.
Sci Transl Med, 7, 2015
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4S0X
 | | Structure of three phase partition - treated lipase from Thermomyces lanuginosa in complex with lauric acid at 2.1 A resolution | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-nitrobenzaldehyde, ... | | 著者 | Kumar, M, Mukherjee, J, Gupta, M.N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2015-01-07 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure of three phase partition - treated lipase from Thermomyces lanuginosa in complex with lauric acid at 2.1 A resolution
To be Published
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4TMC
 | | CRYSTAL STRUCTURE of OLD YELLOW ENZYME from CANDIDA MACEDONIENSIS AKU4588 COMPLEXED with P-HYDROXYBENZALDEHYDE | | 分子名称: | FLAVIN MONONUCLEOTIDE, Old yellow enzyme, P-HYDROXYBENZALDEHYDE | | 著者 | Horita, S, Kataoka, M, Kitamura, N, Nakagawa, T, Miyakawa, T, Ohtsuka, J, Nagata, K, Shimizu, S, Tanokura, M. | | 登録日 | 2014-05-31 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | An Engineered Old Yellow Enzyme that Enables Efficient Synthesis of (4R,6R)-Actinol in a One-Pot Reduction System
Chembiochem, 16, 2015
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1TLE
 | | LE (LAMININ-TYPE EGF-LIKE) MODULE GIII4 IN SOLUTION AT PH 3.5 AND 290 K, NMR, 14 STRUCTURES | | 分子名称: | LAMININ | | 著者 | Baumgartner, R, Czisch, M, Mayer, U, Schl, E.P, Huber, R, Timpl, R, Holak, T.A. | | 登録日 | 1996-01-26 | | 公開日 | 1997-02-12 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of the nidogen binding LE module of the laminin gamma1 chain in solution.
J.Mol.Biol., 257, 1996
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6CGK
 | | Structure of the HAD domain of effector protein Lem4 (lpg1101) from Legionella pneumophila (inactive mutant)with phosphate bound in the active site | | 分子名称: | GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Beyrakhova, K.A, Xu, C, Cygler, M. | | 登録日 | 2018-02-20 | | 公開日 | 2018-07-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.668 Å) | | 主引用文献 | Legionella pneumophilaeffector Lem4 is a membrane-associated protein tyrosine phosphatase.
J. Biol. Chem., 293, 2018
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6IMV
 | | The complex structure of endo-beta-1,2-glucanase from Talaromyces funiculosus with sophorose | | 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, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Tanaka, N, Nakajima, M, Narukawa-Nara, M, Matsunaga, H, Kamisuki, S, Aramasa, H, Takahashi, Y, Sugimoto, N, Abe, K, Miyanaga, A, Yamashita, T, Sugawara, F, Kamakura, T, Komba, S, Nakai, H, Taguchi, H. | | 登録日 | 2018-10-23 | | 公開日 | 2019-04-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Identification, characterization, and structural analyses of a fungal endo-beta-1,2-glucanase reveal a new glycoside hydrolase family.
J.Biol.Chem., 294, 2019
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4I38
 | | Structures of IT intermediates from time-resolved laue crystallography collected at 14ID-B, APS | | 分子名称: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | 著者 | Jung, Y.O, Lee, J.H, Kim, J, Schmidt, M, Vukica, S, Moffat, K, Ihee, H. | | 登録日 | 2012-11-26 | | 公開日 | 2013-03-20 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Volume-conserving trans-cis isomerization pathways in photoactive yellow protein visualized by picosecond X-ray crystallography
NAT.CHEM., 5, 2013
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3WOK
 | | Crystal structure of the DAP BII (Space) | | 分子名称: | GLYCEROL, ZINC ION, dipeptidyl aminopeptidase BII | | 著者 | Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N. | | 登録日 | 2013-12-29 | | 公開日 | 2014-09-03 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | S46 peptidases are the first exopeptidases to be members of clan PA
SCI REP, 4, 2014
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4I3I
 | | Structures of IT intermediate of photoactive yellow protein E46Q mutant from time-resolved laue crystallography collected at 14ID APS | | 分子名称: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | 著者 | Jung, Y.O, Lee, J.H, Kim, J, Schmidt, M, Vukica, S, Moffat, K, Ihee, H. | | 登録日 | 2012-11-26 | | 公開日 | 2013-03-20 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Volume-conserving trans-cis isomerization pathways in photoactive yellow protein visualized by picosecond X-ray crystallography
NAT.CHEM., 5, 2013
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6CFM
 | | Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor | | 分子名称: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, CHLORIDE ION, GLYCEROL, ... | | 著者 | Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | | 登録日 | 2018-02-15 | | 公開日 | 2018-03-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor
To Be Published
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6CIL
 | | PRE-REACTION COMPLEX, RAG1(E962Q)/2-INTACT/INTACT 12/23RSS COMPLEX IN MN2+ | | 分子名称: | High mobility group protein B1, Intact 12RSS substrate forward strand, Intact 12RSS substrate reverse strand, ... | | 著者 | Chuenchor, W, Chen, X, Kim, M.S, Gellert, M, Yang, W. | | 登録日 | 2018-02-24 | | 公開日 | 2018-04-25 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (4.15 Å) | | 主引用文献 | Cracking the DNA Code for V(D)J Recombination.
Mol. Cell, 70, 2018
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