4OHM
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![BU of 4ohm by Molmil](/molmil-images/mine/4ohm) | Human GKRP bound to AMG-0771 and sorbitol-6-phosphate | 分子名称: | (2S)-2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-3,3,3-trifluoropropane-1,2-diol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | 著者 | Jordan, S.R, Chmait, S. | 登録日 | 2014-01-17 | 公開日 | 2014-07-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 3. Structure-activity relationships within the aryl carbinol region of the N-arylsulfonamido-N'-arylpiperazine series. J.Med.Chem., 57, 2014
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6R2J
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![BU of 6r2j by Molmil](/molmil-images/mine/6r2j) | Crystal Structure of Pseudomonas stutzeri endoglucanase Cel5A in complex with cellobiose | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | 著者 | Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C. | 登録日 | 2019-03-18 | 公開日 | 2020-01-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes. Acta Crystallogr D Struct Biol, 75, 2019
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4GPV
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1MDU
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![BU of 1mdu by Molmil](/molmil-images/mine/1mdu) | Crystal structure of the chicken actin trimer complexed with human gelsolin segment 1 (GS-1) | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | 著者 | Dawson, J.F, Sablin, E.P, Spudich, J.A, Fletterick, R.J. | 登録日 | 2002-08-07 | 公開日 | 2003-01-07 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure of an F-actin trimer disrupted by gelsolin and implications for the mechanism of severing J.Biol.Chem., 278, 2003
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4QEZ
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![BU of 4qez by Molmil](/molmil-images/mine/4qez) | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Bacillus anthracis | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE | 著者 | Tarique, K.F, Devi, S, Abdul Rehman, S.A, Gourinath, S. | 登録日 | 2014-05-19 | 公開日 | 2014-06-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Bacillus anthracis To be Published
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4QBW
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![BU of 4qbw by Molmil](/molmil-images/mine/4qbw) | The second sphere residue T263 is important for function and activity of PTP1B through modulating WPD loop | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Xiao, P, Wang, X, Wang, H.M, Fu, X.L, Cui, F.A, Yu, X, Bi, W.X, Sun, J.P. | 登録日 | 2014-05-08 | 公開日 | 2015-02-11 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.912 Å) | 主引用文献 | The second-sphere residue T263 is important for the function and catalytic activity of PTP1B via interaction with the WPD-loop Int.J.Biochem.Cell Biol., 57, 2014
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7VGB
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6SCK
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![BU of 6sck by Molmil](/molmil-images/mine/6sck) | |
6ENW
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![BU of 6enw by Molmil](/molmil-images/mine/6enw) | |
7VM0
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![BU of 7vm0 by Molmil](/molmil-images/mine/7vm0) | Crystal structure of YojK from B.subtilis in complex with UDP | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Glycosyl transferase family 1, ... | 著者 | Hou, X.D, Guo, B.D, Rao, Y.J. | 登録日 | 2021-10-06 | 公開日 | 2022-10-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Highly efficient production of rebaudioside D enabled by structure-guided engineering of bacterial glycosyltransferase YojK. Front Bioeng Biotechnol, 10, 2022
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6SC4
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![BU of 6sc4 by Molmil](/molmil-images/mine/6sc4) | Gamma-Carbonic Anhydrase from the Haloarchaeon Halobacterium sp. | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CADMIUM ION, ... | 著者 | Vogler, M, Karan, R, Renn, D, Vancea, A, Vielberg, V.-T, Groetzinger, S.W, DasSarma, P, Das Sarma, S, Eppinger, J, Groll, M, Rueping, M. | 登録日 | 2019-07-23 | 公開日 | 2020-04-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal Structure and Active Site Engineering of a Halophilic gamma-Carbonic Anhydrase. Front Microbiol, 11, 2020
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4QNJ
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![BU of 4qnj by Molmil](/molmil-images/mine/4qnj) | The structure of wt A. thaliana IGPD2 in complex with Mn2+ and formate at 1.3A resolution | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FORMIC ACID, ... | 著者 | Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R, Hawkes, T.R, Baker, P.J, Rice, D.W. | 登録日 | 2014-06-18 | 公開日 | 2015-06-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination. Structure, 23, 2015
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4QAP
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![BU of 4qap by Molmil](/molmil-images/mine/4qap) | The second sphere residue T263 is important for function and activity of PTP1B through modulating WPD loop | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Xiao, P, Wang, X, Wang, H.M, Fu, X.L, Cui, F.A, Yu, X, Bi, W.X, Sun, J.P. | 登録日 | 2014-05-05 | 公開日 | 2015-02-11 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.903 Å) | 主引用文献 | The second-sphere residue T263 is important for the function and catalytic activity of PTP1B via interaction with the WPD-loop Int.J.Biochem.Cell Biol., 57, 2014
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6F23
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![BU of 6f23 by Molmil](/molmil-images/mine/6f23) | Complex between MTH1 and compound 16 (a 4-amino-7-azaindole derivative) | 分子名称: | 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, ... | 著者 | Viklund, J, Tresaugues, L, Talagas, A, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | 登録日 | 2017-11-23 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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4QAH
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![BU of 4qah by Molmil](/molmil-images/mine/4qah) | The second sphere residue T263 is important for function and activity of PTP1B through modulating WPD loop | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Xiao, P, Wang, X, Wang, H.M, Fu, X.L, Cui, F.A, Bi, W.X. | 登録日 | 2014-05-05 | 公開日 | 2014-12-24 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.403 Å) | 主引用文献 | The second-sphere residue T263 is important for the function and catalytic activity of PTP1B via interaction with the WPD-loop Int.J.Biochem.Cell Biol., 57C, 2014
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4QKS
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![BU of 4qks by Molmil](/molmil-images/mine/4qks) | Crystal Structure of 6xTrp/PV2: de novo designed beta-trefoil architecture with symmetric primary structure (L22W/L44W/L64W/L85W/L108W/L132W his Primitive Version 2) | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DE NOVO PROTEIN 6XTRP/PV2, SULFATE ION | 著者 | Longo, L.M, Tenorio, C.A, Blaber, M. | 登録日 | 2014-06-09 | 公開日 | 2015-01-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A single aromatic core mutation converts a designed "primitive" protein from halophile to mesophile folding. Protein Sci., 24, 2015
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4QKT
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![BU of 4qkt by Molmil](/molmil-images/mine/4qkt) | Azurin mutant M121EM44K with copper | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Azurin, ... | 著者 | Liu, J, Robinson, H, Lu, Y. | 登録日 | 2014-06-09 | 公開日 | 2014-08-13 | 最終更新日 | 2014-10-01 | 実験手法 | X-RAY DIFFRACTION (1.641 Å) | 主引用文献 | Redesigning the Blue Copper Azurin into a Redox-Active Mononuclear Nonheme Iron Protein: Preparation and Study of Fe(II)-M121E Azurin. J.Am.Chem.Soc., 136, 2014
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6F20
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![BU of 6f20 by Molmil](/molmil-images/mine/6f20) | Complex between MTH1 and compound 1 (a 7-azaindole-4-ester derivative) | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate, ... | 著者 | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | 登録日 | 2017-11-23 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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3L4D
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![BU of 3l4d by Molmil](/molmil-images/mine/3l4d) | Crystal structure of sterol 14-alpha demethylase (CYP51) from Leishmania infantum in complex with fluconazole | 分子名称: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Lepesheva, G.I, Hargrove, T.Y, Wawrzak, Z, Waterman, M.R. | 登録日 | 2009-12-19 | 公開日 | 2009-12-29 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Substrate Preferences and Catalytic Parameters Determined by Structural Characteristics of Sterol 14{alpha}-Demethylase (CYP51) from Leishmania infantum. J.Biol.Chem., 286, 2011
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4R52
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![BU of 4r52 by Molmil](/molmil-images/mine/4r52) | 1.5 angstrom crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION | 著者 | Geng, J, Gumpper, R.H, Huo, L, Liu, A. | 登録日 | 2014-08-20 | 公開日 | 2016-03-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | 1.5 angstrom crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans To be Published
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6FX9
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4RHH
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![BU of 4rhh by Molmil](/molmil-images/mine/4rhh) | Crystal structure of the catalytic mutant Xyn52B2-E335G, a GH52 Beta-D-xylosidase from Geobacillus stearothermophilus T6 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-xylosidase, CALCIUM ION | 著者 | Dann, R, Lansky, S, Lavid, N, Zehavi, A, Belakhov, V, Baasov, T, Manjasetty, B, Belrhali, H, Shoham, Y, Shoham, G. | 登録日 | 2014-10-02 | 公開日 | 2015-10-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | To be published To be Published
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6GJB
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![BU of 6gjb by Molmil](/molmil-images/mine/6gjb) | Erk2 signalling protein | 分子名称: | Mitogen-activated protein kinase 1, SULFATE ION, [(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[4-[1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-pyridin-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate | 著者 | O'Reilly, M. | 登録日 | 2018-05-16 | 公開日 | 2019-01-02 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Quantitation of ERK1/2 inhibitor cellular target occupancies with a reversible slow off-rate probe. Chem Sci, 9, 2018
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4S1A
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![BU of 4s1a by Molmil](/molmil-images/mine/4s1a) | Crystal structure of a hypothetical protein Cthe_0052 from Ruminiclostridium thermocellum ATCC 27405 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRATE ANION, TETRAETHYLENE GLYCOL, ... | 著者 | Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2015-01-09 | 公開日 | 2015-01-28 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Crystal structure of a hypothetical protein Cthe_0052 from Ruminiclostridium thermocellum ATCC27405 To be Published
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1TAW
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![BU of 1taw by Molmil](/molmil-images/mine/1taw) | BOVINE TRYPSIN COMPLEXED TO APPI | 分子名称: | CALCIUM ION, PROTEASE INHIBITOR DOMAIN OF ALZHEIMER'S AMYLOID BETA-PROTEIN PRECURSOR, TRYPSIN | 著者 | Hynes, T.R, Kossiakoff, A.A. | 登録日 | 1996-12-19 | 公開日 | 1997-06-24 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structures of bovine chymotrypsin and trypsin complexed to the inhibitor domain of Alzheimer's amyloid beta-protein precursor (APPI) and basic pancreatic trypsin inhibitor (BPTI): engineering of inhibitors with altered specificities. Protein Sci., 6, 1997
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