3UEL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uel by Molmil](/molmil-images/mine/3uel) | Crystal structure of the catalytic domain of rat poly (ADP-ribose) glycohydrolase bound to ADP-HPD | 分子名称: | 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, Poly(ADP-ribose) glycohydrolase | 著者 | Kim, I.K, Kiefer, J.R, Stegemann, R.A, Classen, S, Tainer, J.A, Ellenberger, T. | 登録日 | 2011-10-30 | 公開日 | 2012-05-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structure of mammalian poly(ADP-ribose) glycohydrolase reveals a flexible tyrosine clasp as a substrate-binding element. Nat.Struct.Mol.Biol., 19, 2012
|
|
2UUJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2uuj by Molmil](/molmil-images/mine/2uuj) | Thrombin-hirugen-gw473178 ternary complex at 1.32A resolution | 分子名称: | CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ... | 著者 | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | 登録日 | 2007-03-03 | 公開日 | 2007-09-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D, 63, 2007
|
|
2V59
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v59 by Molmil](/molmil-images/mine/2v59) | |
3UIN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uin by Molmil](/molmil-images/mine/3uin) | Complex between human RanGAP1-SUMO2, UBC9 and the IR1 domain from RanBP2 | 分子名称: | E3 SUMO-protein ligase RanBP2, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ... | 著者 | Gareau, J.R, Reverter, D, Lima, C.D. | 登録日 | 2011-11-05 | 公開日 | 2011-12-28 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.597 Å) | 主引用文献 | Determinants of small ubiquitin-like modifier 1 (SUMO1) protein specificity, E3 ligase, and SUMO-RanGAP1 binding activities of nucleoporin RanBP2. J.Biol.Chem., 287, 2012
|
|
3UWK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uwk by Molmil](/molmil-images/mine/3uwk) | Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation | 分子名称: | 1-methyl-6-phenyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, MAGNESIUM ION, Thymidylate kinase | 著者 | Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R. | 登録日 | 2011-12-02 | 公開日 | 2012-02-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation. J.Med.Chem., 55, 2012
|
|
5J44
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j44 by Molmil](/molmil-images/mine/5j44) | Crystal structure of the Secreted Extracellular protein A (SepA) from Shigella flexneri | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Serine protease SepA autotransporter | 著者 | Birtley, J.R, Stern, L.J, McCormick, B, Maldonado-Contreras, A. | 登録日 | 2016-03-31 | 公開日 | 2017-04-12 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.912 Å) | 主引用文献 | Shigella depends on SepA to destabilize the intestinal epithelial integrity via cofilin activation. Gut Microbes, 8, 2017
|
|
2V6C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v6c by Molmil](/molmil-images/mine/2v6c) | |
6N92
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n92 by Molmil](/molmil-images/mine/6n92) | Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-CoA | 分子名称: | (2E)-2-(hydroxyimino)propanoic acid, IMIDAZOLE, Methylmalonyl-CoA decarboxylase, ... | 著者 | Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R. | 登録日 | 2018-11-30 | 公開日 | 2019-04-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies. J. Am. Chem. Soc., 141, 2019
|
|
2UUK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2uuk by Molmil](/molmil-images/mine/2uuk) | Thrombin-hirugen-gw420128 ternary complex at 1.39A resolution | 分子名称: | CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ... | 著者 | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | 登録日 | 2007-03-03 | 公開日 | 2007-09-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D, 63, 2007
|
|
2UWO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2uwo by Molmil](/molmil-images/mine/2uwo) | Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa | 分子名称: | (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE, COAGULATION FACTOR X | 著者 | Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P. | 登録日 | 2007-03-22 | 公開日 | 2007-05-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa. Bioorg.Med.Chem.Lett., 17, 2007
|
|
3WDX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wdx by Molmil](/molmil-images/mine/3wdx) | The complex structure of E113A with glucotriose | 分子名称: | Beta-1,3-1,4-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | 著者 | Cheng, Y.S, Huang, C.H, Chen, C.C, Huang, T.Y, Ko, T.P, Huang, J.W, Wu, T.H, Liu, J.R, Guo, R.T. | 登録日 | 2013-06-25 | 公開日 | 2014-07-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and mutagenetic analyses of a 1,3-1,4-beta-glucanase from Paecilomyces thermophila Biochim.Biophys.Acta, 1844, 2014
|
|
5KO5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ko5 by Molmil](/molmil-images/mine/5ko5) | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase from Schistosoma mansoni in complex with cytosine | 分子名称: | 1,2-ETHANEDIOL, 6-AMINOPYRIMIDIN-2(1H)-ONE, Purine nucleoside phosphorylase | 著者 | Torini, J.R, Romanello, L, Bird, L, Owens, R, Brandao-Neto, J, Pereira, H.M. | 登録日 | 2016-06-29 | 公開日 | 2017-08-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs. PLoS ONE, 13, 2018
|
|
2V58
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v58 by Molmil](/molmil-images/mine/2v58) | CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 1 | 分子名称: | 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION | 著者 | Mochalkin, I, Miller, J.R. | 登録日 | 2008-10-02 | 公開日 | 2009-01-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3WP6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wp6 by Molmil](/molmil-images/mine/3wp6) | The complex structure of CDBFV E109A with xylotriose | 分子名称: | CDBFV, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | 著者 | Cheng, Y.S, Chen, C.C, Huang, C.H, Huang, T.Y, Ko, T.P, Huang, J.W, Wu, T.H, Liu, J.R, Guo, R.T. | 登録日 | 2014-01-09 | 公開日 | 2014-03-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Structural analysis of a glycoside hydrolase family 11 xylanase from Neocallimastix patriciarum: insights into the molecular basis of a thermophilic enzyme. J.Biol.Chem., 289, 2014
|
|
3WRG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wrg by Molmil](/molmil-images/mine/3wrg) | The complex structure of HypBA1 with L-arabinose | 分子名称: | Non-reducing end beta-L-arabinofuranosidase, ZINC ION, beta-L-arabinofuranose | 著者 | Huang, C.H, Zhu, Z, Cheng, Y.S, Chan, H.C, Ko, T.P, Chen, C.C, Wang, I, Ho, M.R, Hsu, S.T, Zeng, Y.F, Huang, Y.N, Liu, J.R, Guo, R.T. | 登録日 | 2014-02-25 | 公開日 | 2014-09-03 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Structure and Catalytic Mechanism of a Glycoside Hydrolase Family-127 beta-L-Arabinofuranosidase (HypBA1) J BIOPROCESS BIOTECH, 4, 2014
|
|
3WRF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wrf by Molmil](/molmil-images/mine/3wrf) | The crystal structure of native HypBA1 from Bifidobacterium longum JCM 1217 | 分子名称: | Non-reducing end beta-L-arabinofuranosidase | 著者 | Huang, C.H, Zhu, Z, Cheng, Y.S, Chan, H.C, Ko, T.P, Chen, C.C, Wang, I, Ho, M.R, Hsu, S.T, Zeng, Y.F, Huang, Y.N, Liu, J.R, Guo, R.T. | 登録日 | 2014-02-25 | 公開日 | 2014-09-03 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structure and Catalytic Mechanism of a Glycoside Hydrolase Family-127 beta-L-Arabinofuranosidase (HypBA1) J BIOPROCESS BIOTECH, 4, 2014
|
|
6O1S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o1s by Molmil](/molmil-images/mine/6o1s) | Structure of human plasma kallikrein protease domain with inhibitor | 分子名称: | 1,2-ETHANEDIOL, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, PHOSPHATE ION, ... | 著者 | Partridge, J.R, Choy, R.M. | 登録日 | 2019-02-21 | 公開日 | 2019-03-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition. J.Struct.Biol., 206, 2019
|
|
5KO4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ko4 by Molmil](/molmil-images/mine/5ko4) | Bromodomain from Trypanosoma brucei Tb427.10.8150 | 分子名称: | Putative uncharacterized protein, SULFATE ION | 著者 | El Bakkouri, M, Walker, J.R, Hou, C.F.D, Lin, Y.H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Structural Genomics Consortium (SGC) | 登録日 | 2016-06-29 | 公開日 | 2016-08-31 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Bromodomain from Trypanosoma brucei Tb427.10.8150 To be published
|
|
2W6O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w6o by Molmil](/molmil-images/mine/2w6o) | Crystal structure of Biotin carboxylase from E. coli in complex with 4-Amino-7,7-dimethyl-7,8-dihydro-quinazolinone fragment | 分子名称: | 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one, BIOTIN CARBOXYLASE, CHLORIDE ION | 著者 | Mochalkin, I, Miller, J.R. | 登録日 | 2008-12-18 | 公開日 | 2009-05-19 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
|
|
2W5Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w5z by Molmil](/molmil-images/mine/2w5z) | Ternary Complex of the Mixed Lineage Leukaemia (MLL1) SET Domain with the cofactor product S-Adenosylhomocysteine and histone peptide. | 分子名称: | GLYCEROL, HISTONE PEPTIDE, HISTONE-LYSINE N-METHYLTRANSFERASE HRX, ... | 著者 | Southall, S.M, Wong, P.S, Odho, Z, Roe, S.M, Wilson, J.R. | 登録日 | 2008-12-15 | 公開日 | 2009-02-10 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural Basis for the Requirement of Additional Factors for Mll1 Set Domain Activity and Recognition of Epigenetic Marks. Mol.Cell, 33, 2009
|
|
2W1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w1x by Molmil](/molmil-images/mine/2w1x) | The interdependence of wavelength, redundancy and dose in sulfur SAD experiments: 1.284 A wavelength 360 images data | 分子名称: | CHLORIDE ION, LYSOZYME C, SODIUM ION | 著者 | Cianci, M, Helliwell, J.R, Suzuki, A. | 登録日 | 2008-10-21 | 公開日 | 2008-11-04 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Interdependence of Wavelength, Redundancy and Dose in Sulfur Sad Experiments. Acta Crystallogr.,Sect.D, 64, 2008
|
|
2W6Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w6z by Molmil](/molmil-images/mine/2w6z) | |
2W9S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w9s by Molmil](/molmil-images/mine/2w9s) | Staphylococcus aureus S1:DHFR in complex with trimethoprim | 分子名称: | DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Soutter, H.H, Miller, J.R. | 登録日 | 2009-01-28 | 公開日 | 2009-03-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural Comparison of Chromosomal and Exogenous Dihydrofolate Reductase from Staphylococcus Aureus in Complex with the Potent Inhibitor Trimethoprim. Proteins, 76, 2009
|
|
5IUZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5iuz by Molmil](/molmil-images/mine/5iuz) | STRUCTURE OF P450 2B4 F202W MUTANT (CYMAL-5) | 分子名称: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Jang, H.-H, Halpert, J.R, Shah, M.B. | 登録日 | 2016-03-18 | 公開日 | 2016-06-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry. Biophys.Chem., 216, 2016
|
|
3W86
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3w86 by Molmil](/molmil-images/mine/3w86) | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-96 | 分子名称: | 1,2-ETHANEDIOL, 5-{4-[4-(methoxycarbonyl)phenyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, CACODYLATE ION, ... | 著者 | Inaoka, D.K, Hashimoto, S, Rocha, J.R, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Kuranaga, T, Shiba, T, Balogun, E.O, Sakamoto, K, Suzuki, S, Montanari, C.A, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | 登録日 | 2013-03-12 | 公開日 | 2014-03-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-96 To be Published
|
|