4B3U
 
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, ... | | 著者 | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H. | | 登録日 | 2012-07-26 | | 公開日 | 2012-10-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
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2IKD
 | | Solution Structure of the first Clip domain in PAP2 | | 分子名称: | Prophenoloxidase activating proteinase-2 | | 著者 | Huang, R.D, Lv, Z.Q, Dai, H.E, Velde, D.V, Prakash, O, Jiang, H.B. | | 登録日 | 2006-10-02 | | 公開日 | 2007-10-16 | | 最終更新日 | 2020-09-09 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure of Clip domain in PAP2
To be Published
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4DUQ
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4DBG
 | | Crystal structure of HOIL-1L-UBL complexed with a HOIP-UBA derivative | | 分子名称: | RING finger protein 31, RanBP-type and C3HC4-type zinc finger-containing protein 1 | | 著者 | Yagi, H, Hiromoto, T, Mizushima, T, Kurimoto, E, Kato, K. | | 登録日 | 2012-01-15 | | 公開日 | 2012-04-04 | | 最終更新日 | 2012-05-16 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | A non-canonical UBA-UBL interaction forms the linear-ubiquitin-chain assembly complex
Embo Rep., 13, 2012
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4DLG
 | | Ternary Structure of the large Fragment of Taq DNA polymerase | | 分子名称: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, ACETATE ION, DNA polymerase I, ... | | 著者 | Marx, A, Diederichs, K, Obeid, S, Holzberger, B. | | 登録日 | 2012-02-06 | | 公開日 | 2012-11-28 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Structural insights into the potential of 4-fluoroproline to modulate biophysical properties of protein
Chem Sci, 3, 2012
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4DDT
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4DPF
 | | BACE-1 in complex with a HEA-macrocyclic type inhibitor | | 分子名称: | Beta-secretase 1, N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide | | 著者 | Lindberg, J, Borkakoti, N, Derbyshire, D. | | 登録日 | 2012-02-13 | | 公開日 | 2012-07-11 | | 最終更新日 | 2013-01-02 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes.
Bioorg.Med.Chem., 20, 2012
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4DGK
 | | Crystal structure of Phytoene desaturase CRTI from Pantoea ananatis | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Phytoene dehydrogenase | | 著者 | Schaub, P, Yu, Q, Gemmecker, S, Poussin-Courmontagne, P, Mailliot, J, McEwen, A.G, Ghisla, S, Beyer, P, Cavarelli, J. | | 登録日 | 2012-01-26 | | 公開日 | 2012-10-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | On the structure and function of the phytoene desaturase CRTI from Pantoea ananatis, a membrane-peripheral and FAD-dependent oxidase/isomerase.
Plos One, 7, 2012
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2J9R
 | | Thymidine kinase from B. anthracis in complex with dT. | | 分子名称: | PHOSPHATE ION, THYMIDINE, THYMIDINE KINASE, ... | | 著者 | Kosinska, U, Carnrot, C, Sandrini, M.P.B, Clausen, A.R, Wang, L, Piskur, J, Eriksson, S, Eklund, H. | | 登録日 | 2006-11-15 | | 公開日 | 2007-01-23 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural Studies of Thymidine Kinases from Bacillus Anthracis and Bacillus Cereus Provide Insights Into Quaternary Structure and Conformational Changes Upon Substrate Binding
FEBS J., 274, 2007
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4DHO
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | 分子名称: | (2-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ... | | 著者 | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | 登録日 | 2012-01-30 | | 公開日 | 2013-07-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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4DHU
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | 分子名称: | (2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 PROTEIN SIGMA, CHLORIDE ION, ... | | 著者 | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | 登録日 | 2012-01-30 | | 公開日 | 2013-07-31 | | 最終更新日 | 2013-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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4DI9
 | | CRYSTAL STRUCTURE OF THE D248A mutant of 2-PYRONE-4,6-DICARBOXYLIC ACID HYDROLASE FROM SPHINGOMONAS PAUCIMOBILIS complexed with substrate at pH 6.5 | | 分子名称: | (1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid, 2-pyrone-4,6-dicarbaxylate hydrolase, ACETATE ION | | 著者 | Malashkevich, V.N, Toro, R, Hobbs, M.E, Raushel, F.M, Almo, S.C. | | 登録日 | 2012-01-11 | | 公開日 | 2012-10-03 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structure and Catalytic Mechanism of LigI: Insight into the Amidohydrolase Enzymes of cog3618 and Lignin Degradation.
Biochemistry, 51, 2012
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4DOQ
 | | Crystal structure of the complex of Porcine Pancreatic Trypsin with 1/2SLPI | | 分子名称: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Antileukoproteinase, CALCIUM ION, ... | | 著者 | Fukushima, K, Takimoto-Kamimura, M. | | 登録日 | 2012-02-10 | | 公開日 | 2013-08-14 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure basis 1/2SLPI and porcine pancreas trypsin interaction
J.SYNCHROTRON RADIAT., 20, 2013
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2JEV
 | | Crystal structure of human spermine,spermidine acetyltransferase in complex with a bisubstrate analog (N1-acetylspermine-S-CoA). | | 分子名称: | (3R)-27-AMINO-3-HYDROXY-2,2-DIMETHYL-4,8,14-TRIOXO-12-THIA-5,9,15,19,24-PENTAAZAHEPTACOS-1-YL [(2S,3R,4S,5S)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, DIAMINE ACETYLTRANSFERASE 1 | | 著者 | Hegde, S.S, Chandler, J, Vetting, M.W, Yu, M, Blanchard, J.S. | | 登録日 | 2007-01-23 | | 公開日 | 2007-06-05 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Mechanistic and Structural Analysis of Human Spermidine/Spermine N(1)-Acetyltransferase.
Biochemistry, 46, 2007
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4DPN
 | | Crystal Structure of ConM Complexed with Resveratrol | | 分子名称: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | | 著者 | Freire, V.N, Gottfried, C, Rocha, B.A.M, Cavada, B.S, Delatorre, P, Santi-Gadelha, T, Gadelha, C.A.A, Batista, G.N, N brega, R.B, Silva-Filho, J.C. | | 登録日 | 2012-02-13 | | 公開日 | 2013-03-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Crystal Structure of ConM Complexed with Resveratrol
To be Published
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4DVN
 | | Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 in complex with 2'-UMP | | 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, E(rns) glycoprotein, ... | | 著者 | Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A. | | 登録日 | 2012-02-23 | | 公開日 | 2012-05-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
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4DVL
 | | Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 in complex with 2'-3'-cyclo-UMP | | 分子名称: | 1-[(2S,3aS,4S,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4( 1H,3H)-dione, 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 | Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A. | | 登録日 | 2012-02-23 | | 公開日 | 2012-05-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
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4DW5
 | | Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 in complex with a non-cleavable CpU dinucleotide | | 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, E(rns) glycoprotein, ... | | 著者 | Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A. | | 登録日 | 2012-02-24 | | 公開日 | 2012-05-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
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4DW7
 | | Crystal structure of an active-site mutant of the glycoprotein Erns from the pestivirus BVDV-1 in complex with a CpU dinucleotide | | 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, 5'-R(*CP*U)-3', ... | | 著者 | Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A. | | 登録日 | 2012-02-24 | | 公開日 | 2012-05-23 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (3.08 Å) | | 主引用文献 | Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
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4DWD
 | | Crystal structure of mandelate racemase/muconate lactonizing protein from Paracoccus denitrificans PD1222 complexed with magnesium | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, ... | | 著者 | Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2012-02-24 | | 公開日 | 2012-03-14 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal structure of mandelate racemase/muconate lactonizing protein from Paracoccus denitrificans PD1222 complexed with magnesium
To be Published
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4DWQ
 | | RNA ligase RtcB-GMP/Mn(2+) complex | | 分子名称: | GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, MALONATE ION, ... | | 著者 | Okada, C, Xia, S, Englert, M, Yao, M, Soll, D, Wang, J. | | 登録日 | 2012-02-26 | | 公開日 | 2012-09-05 | | 最終更新日 | 2017-08-02 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural and mechanistic insights into guanylylation of RNA-splicing ligase RtcB joining RNA between 3'-terminal phosphate and 5'-OH.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2N58
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2I52
 | | Crystal structure of protein PTO0218 from Picrophilus torridus, Pfam DUF372 | | 分子名称: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Ramagopal, U.A, Gilmore, J, Toro, R, Bain, K.T, McKenzie, C, Reyes, C, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2006-08-23 | | 公開日 | 2006-09-12 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Structure of hypothetical protein PTO0218 from Picrophilus torridus
To be Published
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2I8E
 | | Structure of SSO1404, a predicted DNA repair-associated protein from Sulfolobus solfataricus P2 | | 分子名称: | Hypothetical protein, IODIDE ION | | 著者 | Wang, S, Zimmerman, M.D, Kudritska, M, Chruszcz, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2006-09-01 | | 公開日 | 2006-09-26 | | 最終更新日 | 2022-04-13 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | A novel family of sequence-specific endoribonucleases associated with the clustered regularly interspaced short palindromic repeats.
J.Biol.Chem., 283, 2008
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4D2S
 | | Human TTK in complex with a Dyrk1B inhibitor | | 分子名称: | DUAL SPECIFICITY PROTEIN KINASE TTK, N-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine | | 著者 | Debreczeni, J.E, Kettle, J.G, Ballard, P, Bardelle, C, Butterworth, S, Colclough, N, Critchlow, S.E, Fairley, G, Fillery, S, Graham, M.A, Goodwin, L, Guichard, S, Hudson, K, Mahmood, A, Vincent, J, Ward, R.A, Whittaker, D. | | 登録日 | 2014-05-12 | | 公開日 | 2015-04-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery and Optimization of a Novel Series of Dyrk1B Kinase Inhibitors to Explore a Mek Resistance Hypothesis.
J.Med.Chem., 58, 2015
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