1KR0
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![BU of 1kr0 by Molmil](/molmil-images/mine/1kr0) | Hevamine Mutant D125A/Y183F in Complex with Tetra-NAG | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hevamine A, SULFATE ION | 著者 | Rozeboom, H.J, Dijkstra, B.W. | 登録日 | 2002-01-08 | 公開日 | 2002-01-23 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Expression and Characterization of Active Site Mutants of Hevamine, a
Chitinase from the Rubber Tree Hevea brasiliensis. Eur.J.Biochem., 269, 2002
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1KR1
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![BU of 1kr1 by Molmil](/molmil-images/mine/1kr1) | Hevamine Mutant D125A/E127A in Complex with Tetra-NAG | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hevamine A, SULFATE ION | 著者 | Rozeboom, H.J, Dijkstra, B.W. | 登録日 | 2002-01-08 | 公開日 | 2002-01-23 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Expression and Characterization of Active Site Mutants of Hevamine, a
Chitinase from the Rubber Tree Hevea brasiliensis. Eur.J.Biochem., 269, 2002
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5ZHI
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![BU of 5zhi by Molmil](/molmil-images/mine/5zhi) | Apo crystal structure of TrmD from Mycobacterium tuberculosis | 分子名称: | tRNA (guanine-N(1)-)-methyltransferase | 著者 | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | 登録日 | 2018-03-13 | 公開日 | 2019-03-06 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019
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3AS2
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![BU of 3as2 by Molmil](/molmil-images/mine/3as2) | Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with Propentofylline | 分子名称: | 3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione, Chitinase A | 著者 | Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. | 登録日 | 2010-12-09 | 公開日 | 2011-04-20 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
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3AS0
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![BU of 3as0 by Molmil](/molmil-images/mine/3as0) | Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with Sanguinarine | 分子名称: | 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, Chitinase A, GLYCEROL | 著者 | Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. | 登録日 | 2010-12-09 | 公開日 | 2011-04-20 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
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3MUF
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![BU of 3muf by Molmil](/molmil-images/mine/3muf) | Shikimate kinase from Helicobacter pylori in complex with shikimate-3-phosphate and ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, SHIKIMATE-3-PHOSPHATE, Shikimate kinase | 著者 | Cheng, W.C, Chen, T.J, Lin, S.C, Wang, W.C. | 登録日 | 2010-05-03 | 公開日 | 2011-05-04 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structures of Helicobacter pylori shikimate kinase reveal a selective inhibitor-induced-fit mechanism Plos One, 7, 2012
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4RNF
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1F90
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![BU of 1f90 by Molmil](/molmil-images/mine/1f90) | FAB FRAGMENT OF MONOCLONAL ANTIBODY (LNKB-2) AGAINST HUMAN INTERLEUKIN-2 IN COMPLEX WITH ANTIGENIC PEPTIDE | 分子名称: | ANTIGENIC NONAPEPTIDE, FAB FRAGMENT OF MONOCLONAL ANTIBODY | 著者 | Afonin, P.V, Fokin, A.V, Tsigannik, I.N, Mikhailova, I.Y, Onoprienko, L.V, Mikhaleva, I.I, Ivanov, V.T, Mareeva, T.Y, Nesmeyanov, V.A, Li, N, Duax, W.L, Pletnev, V.Z. | 登録日 | 2000-07-06 | 公開日 | 2001-07-11 | 最終更新日 | 2018-04-04 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of an anti-interleukin-2 monoclonal antibody Fab complexed with an antigenic nonapeptide. Protein Sci., 10, 2001
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3AL4
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![BU of 3al4 by Molmil](/molmil-images/mine/3al4) | Crystal structure of the swine-origin A (H1N1)-2009 influenza A virus hemagglutinin (HA) reveals similar antigenicity to that of the 1918 pandemic virus | 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, Hemagglutinin, ... | 著者 | Zhang, W, Qi, J.X, Shi, Y, Li, Q, Yan, J.H, Gao, G.F. | 登録日 | 2010-07-22 | 公開日 | 2010-08-04 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.872 Å) | 主引用文献 | Crystal structure of the swine-origin A (H1N1)-2009 influenza A virus hemagglutinin (HA) reveals similar antigenicity to that of the 1918 pandemic virus Protein Cell, 1, 2010
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4B9A
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![BU of 4b9a by Molmil](/molmil-images/mine/4b9a) | Structure of a putative epoxide hydrolase from Pseudomonas aeruginosa. | 分子名称: | GLYCEROL, PROBABLE EPOXIDE HYDROLASE, SULFATE ION | 著者 | Schmidberger, J.W, Schnell, R, Schneider, G. | 登録日 | 2012-09-03 | 公開日 | 2013-02-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery. Acta Crystallogr.,Sect.F, 69, 2013
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4BFD
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![BU of 4bfd by Molmil](/molmil-images/mine/4bfd) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND | 分子名称: | BETA-SECRETASE 1, DIMETHYL SULFOXIDE, N-[3-[(1S,3S,6S)-5-azanyl-3-methyl-4-azabicyclo[4.1.0]hept-4-en-3-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carbox amide, ... | 著者 | Banner, D.W, Benz, J, Stihle, M. | 登録日 | 2013-03-18 | 公開日 | 2013-06-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Bace1 Inhibitors: A Head Group Scan on a Series of Amides. Bioorg.Med.Chem.Lett., 23, 2013
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5QPH
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![BU of 5qph by Molmil](/molmil-images/mine/5qph) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000315a | 分子名称: | 4-(4-ethylcyclohexyl)morpholine, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-04-04 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPU
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![BU of 5qpu by Molmil](/molmil-images/mine/5qpu) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000733a | 分子名称: | ACETATE ION, Farnesyl diphosphate synthase, N-[(4-phenyloxan-4-yl)methyl]acetamide, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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3ACW
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![BU of 3acw by Molmil](/molmil-images/mine/3acw) | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-651 | 分子名称: | (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase | 著者 | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | 登録日 | 2010-01-13 | 公開日 | 2010-11-24 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Mechanism of action and inhibition of dehydrosqualene synthase Proc.Natl.Acad.Sci.USA, 107, 2010
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8DFI
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1JD0
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![BU of 1jd0 by Molmil](/molmil-images/mine/1jd0) | CRYSTAL STRUCTURE OF THE EXTRACELLULAR DOMAIN OF HUMAN CARBONIC ANHYDRASE XII COMPLEXED WITH ACETAZOLAMIDE | 分子名称: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE XII, ZINC ION | 著者 | Whittington, D.A, Waheed, A, Ulmasov, B, Shah, G.N, Grubb, J.H, Sly, W.S, Christianson, D.W. | 登録日 | 2001-06-11 | 公開日 | 2001-08-17 | 最終更新日 | 2011-11-16 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of the dimeric extracellular domain of human carbonic anhydrase XII, a bitopic membrane protein overexpressed in certain cancer tumor cells. Proc.Natl.Acad.Sci.USA, 98, 2001
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4BEK
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![BU of 4bek by Molmil](/molmil-images/mine/4bek) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND | 分子名称: | (4S)-4-(4-methoxyphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE, ... | 著者 | Banner, D.W, Benz, J, Stihle, M. | 登録日 | 2013-03-11 | 公開日 | 2013-06-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Bace1 Inhibitors: A Head Group Scan on a Series of Amides. Bioorg.Med.Chem.Lett., 23, 2013
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5QPP
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![BU of 5qpp by Molmil](/molmil-images/mine/5qpp) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000512a | 分子名称: | 1-[2-(trifluoromethyloxy)phenyl]thiourea, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-04-04 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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4RNH
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![BU of 4rnh by Molmil](/molmil-images/mine/4rnh) | PaMorA tandem diguanylate cyclase - phosphodiesterase, c-di-GMP complex | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, Motility regulator | 著者 | Phippen, C.W, Tews, I. | 登録日 | 2014-10-24 | 公開日 | 2014-11-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Formation and dimerization of the phosphodiesterase active site of the Pseudomonas aeruginosa MorA, a bi-functional c-di-GMP regulator. Febs Lett., 588, 2014
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5QQ2
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![BU of 5qq2 by Molmil](/molmil-images/mine/5qq2) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000693a | 分子名称: | (2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QQ9
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![BU of 5qq9 by Molmil](/molmil-images/mine/5qq9) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000567a | 分子名称: | 2-[(2R,5R,6S)-5-hydroxy-1,2,4,5,6,7-hexahydro-3H-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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4GOE
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4GOF
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6Q50
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![BU of 6q50 by Molmil](/molmil-images/mine/6q50) | Structure of MPT-4, a mannose phosphorylase from Leishmania mexicana, in complex with phosphate ion | 分子名称: | 1,2-ETHANEDIOL, MPT-4, PHOSPHATE ION, ... | 著者 | Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J. | 登録日 | 2018-12-06 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites. Cell Host Microbe, 26, 2019
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3AIT
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![BU of 3ait by Molmil](/molmil-images/mine/3ait) | |