8OHO
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![BU of 8oho by Molmil](/molmil-images/mine/8oho) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H11 | 分子名称: | 1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea, Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ... | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | 登録日 | 2023-03-21 | 公開日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H11 To Be Published
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8OHJ
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![BU of 8ohj by Molmil](/molmil-images/mine/8ohj) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry G08 | 分子名称: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | 登録日 | 2023-03-21 | 公開日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry G08 To Be Published
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8OHB
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![BU of 8ohb by Molmil](/molmil-images/mine/8ohb) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E08 | 分子名称: | 5-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | 登録日 | 2023-03-21 | 公開日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E08 To Be Published
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8OHG
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![BU of 8ohg by Molmil](/molmil-images/mine/8ohg) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F09 | 分子名称: | 4-pyridin-2-ylphenol, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | 登録日 | 2023-03-21 | 公開日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F09 To Be Published
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8OHH
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![BU of 8ohh by Molmil](/molmil-images/mine/8ohh) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry G05 | 分子名称: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-phenyl-N'-propan-2-ylurea | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | 登録日 | 2023-03-21 | 公開日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry G05 To Be Published
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8OHE
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![BU of 8ohe by Molmil](/molmil-images/mine/8ohe) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F03 | 分子名称: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | 登録日 | 2023-03-21 | 公開日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F03 To Be Published
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8OHC
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![BU of 8ohc by Molmil](/molmil-images/mine/8ohc) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E12 | 分子名称: | 6-azanyl-3-methyl-1,3-benzoxazol-2-one, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | 登録日 | 2023-03-21 | 公開日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E12 To Be Published
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8OFG
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![BU of 8ofg by Molmil](/molmil-images/mine/8ofg) | |
8OFH
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![BU of 8ofh by Molmil](/molmil-images/mine/8ofh) | |
8OFO
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![BU of 8ofo by Molmil](/molmil-images/mine/8ofo) | |
8OFJ
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![BU of 8ofj by Molmil](/molmil-images/mine/8ofj) | |
4B2B
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![BU of 4b2b by Molmil](/molmil-images/mine/4b2b) | Structure of the factor Xa-like trypsin variant triple-Ala (TGPA) in complex with eglin C | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | 著者 | Menzel, A, Neumann, P, Stubbs, M.T. | 登録日 | 2012-07-13 | 公開日 | 2012-08-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Thermodynamic signatures in macromolecular interactions involving conformational flexibility. Biol.Chem., 395, 2014
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4B2A
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![BU of 4b2a by Molmil](/molmil-images/mine/4b2a) | Structure of the factor Xa-like trypsin variant triple-Ala (TGA) in complex with eglin C | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | 著者 | Menzel, A, Neumann, P, Stubbs, M.T. | 登録日 | 2012-07-13 | 公開日 | 2012-08-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Thermodynamic signatures in macromolecular interactions involving conformational flexibility. Biol.Chem., 395, 2014
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4B2C
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![BU of 4b2c by Molmil](/molmil-images/mine/4b2c) | Structure of the factor Xa-like trypsin variant triple-Ala (TPA) in complex with eglin C | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | 著者 | Menzel, A, Neumann, P, Stubbs, M.T. | 登録日 | 2012-07-13 | 公開日 | 2012-08-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Thermodynamic signatures in macromolecular interactions involving conformational flexibility. Biol.Chem., 395, 2014
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6EYK
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![BU of 6eyk by Molmil](/molmil-images/mine/6eyk) | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand NV355 | 分子名称: | (2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R},3~{S})-3-methyl-2-[(2~{R},3~{S},4~{R},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxy-cyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T. | 登録日 | 2017-11-13 | 公開日 | 2018-11-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | E-selectin lectin with different glycomimetic ligands To Be Published
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6EYJ
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![BU of 6eyj by Molmil](/molmil-images/mine/6eyj) | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand NV354 | 分子名称: | (2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(1~{R},2~{R})-2-[(2~{R},3~{S},4~{R},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxycyclohexyl]oxy-oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T. | 登録日 | 2017-11-13 | 公開日 | 2018-11-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | E-selectin lectin with different glycomimetic ligands To Be Published
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4B1T
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![BU of 4b1t by Molmil](/molmil-images/mine/4b1t) | Structure of the factor Xa-like trypsin variant triple-Ala (TA) in complex with eglin C | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | 著者 | Menzel, A, Neumann, P, Stubbs, M.T. | 登録日 | 2012-07-12 | 公開日 | 2012-08-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Thermodynamic signatures in macromolecular interactions involving conformational flexibility. Biol.Chem., 395, 2014
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6EYI
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![BU of 6eyi by Molmil](/molmil-images/mine/6eyi) | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand BW69669 | 分子名称: | (2~{R})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T. | 登録日 | 2017-11-13 | 公開日 | 2018-11-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | E-selectin lectin with different glycomimetic ligands To Be Published
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6FDF
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![BU of 6fdf by Molmil](/molmil-images/mine/6fdf) | |
4CST
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![BU of 4cst by Molmil](/molmil-images/mine/4cst) | Crystal structure of FimH in complex with 3'-Chloro-4'-(alpha-D-mannopyranosyloxy)-biphenyl-4-carbonitrile | 分子名称: | 3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile, PROTEIN FIMH | 著者 | Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B. | 登録日 | 2014-03-10 | 公開日 | 2015-02-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile. J.Med.Chem., 58, 2015
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6H42
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![BU of 6h42 by Molmil](/molmil-images/mine/6h42) | crystal structure of the human TGT catalytic subunit QTRT1 | 分子名称: | BROMIDE ION, CHLORIDE ION, GLUTAMIC ACID, ... | 著者 | Johannsson, S, Neumann, P, Ficner, R. | 登録日 | 2018-07-20 | 公開日 | 2018-09-05 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Crystal Structure of the Human tRNA Guanine Transglycosylase Catalytic Subunit QTRT1. Biomolecules, 8, 2018
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4CSS
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![BU of 4css by Molmil](/molmil-images/mine/4css) | Crystal structure of FimH in complex with a sulfonamide biphenyl alpha D-mannoside | 分子名称: | 4'-(alpha-D-Mannopyranosyloxy)-biphenyl-4-methyl sulfonamide, GLYCEROL, PROTEIN FIMH | 著者 | Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B. | 登録日 | 2014-03-10 | 公開日 | 2015-02-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.069 Å) | 主引用文献 | Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile. J.Med.Chem., 58, 2015
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5OYH
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![BU of 5oyh by Molmil](/molmil-images/mine/5oyh) | crystal structure of the catalytic core of a rhodopsin-guanylyl cyclase with converted specificity in complex with ATPalphaS | 分子名称: | ADENOSINE-5'-SP-ALPHA-THIO-TRIPHOSPHATE, CALCIUM ION, GLYCEROL, ... | 著者 | Broser, M, Scheib, U, Hegemann, P. | 登録日 | 2017-09-09 | 公開日 | 2018-06-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.249 Å) | 主引用文献 | Rhodopsin-cyclases for photocontrol of cGMP/cAMP and 2.3 angstrom structure of the adenylyl cyclase domain. Nat Commun, 9, 2018
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5EQH
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![BU of 5eqh by Molmil](/molmil-images/mine/5eqh) | Human GLUT1 in complex with inhibitor (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide | 分子名称: | (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1 | 著者 | Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M. | 登録日 | 2015-11-12 | 公開日 | 2016-04-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides. Proc.Natl.Acad.Sci.USA, 113, 2016
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5O5S
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![BU of 5o5s by Molmil](/molmil-images/mine/5o5s) | X-ray crystal structure of the RapZ C-terminal domain from Escherichia coli | 分子名称: | MALONATE ION, RNase adapter protein RapZ | 著者 | Gonzalez, G.M, Durica-Mitic, S, Hardwick, S.W, Moncrieffe, M, Resch, M, Neumann, P, Ficner, R, Gorke, B, Luisi, B.F. | 登録日 | 2017-06-02 | 公開日 | 2017-08-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Structural insights into RapZ-mediated regulation of bacterial amino-sugar metabolism. Nucleic Acids Res., 45, 2017
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