4OHM
| Human GKRP bound to AMG-0771 and sorbitol-6-phosphate | Descriptor: | (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, ... | Authors: | Jordan, S.R, Chmait, S. | Deposit date: | 2014-01-17 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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
| Crystal Structure of Pseudomonas stutzeri endoglucanase Cel5A in complex with cellobiose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C. | Deposit date: | 2019-03-18 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | 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
| Crystal structure of the chicken actin trimer complexed with human gelsolin segment 1 (GS-1) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | Authors: | Dawson, J.F, Sablin, E.P, Spudich, J.A, Fletterick, R.J. | Deposit date: | 2002-08-07 | Release date: | 2003-01-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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
| Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Bacillus anthracis | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE | Authors: | Tarique, K.F, Devi, S, Abdul Rehman, S.A, Gourinath, S. | Deposit date: | 2014-05-19 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Bacillus anthracis To be Published
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4QBW
| The second sphere residue T263 is important for function and activity of PTP1B through modulating WPD loop | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xiao, P, Wang, X, Wang, H.M, Fu, X.L, Cui, F.A, Yu, X, Bi, W.X, Sun, J.P. | Deposit date: | 2014-05-08 | Release date: | 2015-02-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.912 Å) | Cite: | 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
| Crystal structure of apo prolyl oligopeptidase from Microbulbifer arenaceous | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Huang, P, Jiang, Z.Q. | Deposit date: | 2021-09-15 | Release date: | 2022-05-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.227 Å) | Cite: | The structure and molecular dynamics of prolyl oligopeptidase from Microbulbifer arenaceous provide insights into catalytic and regulatory mechanisms. Acta Crystallogr D Struct Biol, 78, 2022
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6SCK
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6ENW
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7VM0
| Crystal structure of YojK from B.subtilis in complex with UDP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Glycosyl transferase family 1, ... | Authors: | Hou, X.D, Guo, B.D, Rao, Y.J. | Deposit date: | 2021-10-06 | Release date: | 2022-10-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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
| Gamma-Carbonic Anhydrase from the Haloarchaeon Halobacterium sp. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CADMIUM ION, ... | Authors: | 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. | Deposit date: | 2019-07-23 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure and Active Site Engineering of a Halophilic gamma-Carbonic Anhydrase. Front Microbiol, 11, 2020
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4QNJ
| The structure of wt A. thaliana IGPD2 in complex with Mn2+ and formate at 1.3A resolution | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FORMIC ACID, ... | Authors: | 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. | Deposit date: | 2014-06-18 | Release date: | 2015-06-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | 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
| The second sphere residue T263 is important for function and activity of PTP1B through modulating WPD loop | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xiao, P, Wang, X, Wang, H.M, Fu, X.L, Cui, F.A, Yu, X, Bi, W.X, Sun, J.P. | Deposit date: | 2014-05-05 | Release date: | 2015-02-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | 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
| Complex between MTH1 and compound 16 (a 4-amino-7-azaindole derivative) | Descriptor: | 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, ... | Authors: | Viklund, J, Tresaugues, L, Talagas, A, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | Deposit date: | 2017-11-23 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | 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
| The second sphere residue T263 is important for function and activity of PTP1B through modulating WPD loop | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xiao, P, Wang, X, Wang, H.M, Fu, X.L, Cui, F.A, Bi, W.X. | Deposit date: | 2014-05-05 | Release date: | 2014-12-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.403 Å) | Cite: | 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
| 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) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DE NOVO PROTEIN 6XTRP/PV2, SULFATE ION | Authors: | Longo, L.M, Tenorio, C.A, Blaber, M. | Deposit date: | 2014-06-09 | Release date: | 2015-01-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A single aromatic core mutation converts a designed "primitive" protein from halophile to mesophile folding. Protein Sci., 24, 2015
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4QKT
| Azurin mutant M121EM44K with copper | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Azurin, ... | Authors: | Liu, J, Robinson, H, Lu, Y. | Deposit date: | 2014-06-09 | Release date: | 2014-08-13 | Last modified: | 2014-10-01 | Method: | X-RAY DIFFRACTION (1.641 Å) | Cite: | 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
| Complex between MTH1 and compound 1 (a 7-azaindole-4-ester derivative) | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate, ... | Authors: | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | Deposit date: | 2017-11-23 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
| Crystal structure of sterol 14-alpha demethylase (CYP51) from Leishmania infantum in complex with fluconazole | Descriptor: | 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, ... | Authors: | Lepesheva, G.I, Hargrove, T.Y, Wawrzak, Z, Waterman, M.R. | Deposit date: | 2009-12-19 | Release date: | 2009-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | 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
| 1.5 angstrom crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION | Authors: | Geng, J, Gumpper, R.H, Huo, L, Liu, A. | Deposit date: | 2014-08-20 | Release date: | 2016-03-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | 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
| Crystal structure of the catalytic mutant Xyn52B2-E335G, a GH52 Beta-D-xylosidase from Geobacillus stearothermophilus T6 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-xylosidase, CALCIUM ION | Authors: | Dann, R, Lansky, S, Lavid, N, Zehavi, A, Belakhov, V, Baasov, T, Manjasetty, B, Belrhali, H, Shoham, Y, Shoham, G. | Deposit date: | 2014-10-02 | Release date: | 2015-10-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | To be published To be Published
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6GJB
| Erk2 signalling protein | Descriptor: | 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 | Authors: | O'Reilly, M. | Deposit date: | 2018-05-16 | Release date: | 2019-01-02 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Quantitation of ERK1/2 inhibitor cellular target occupancies with a reversible slow off-rate probe. Chem Sci, 9, 2018
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4S1A
| Crystal structure of a hypothetical protein Cthe_0052 from Ruminiclostridium thermocellum ATCC 27405 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRATE ANION, TETRAETHYLENE GLYCOL, ... | Authors: | Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-01-09 | Release date: | 2015-01-28 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of a hypothetical protein Cthe_0052 from Ruminiclostridium thermocellum ATCC27405 To be Published
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1TAW
| BOVINE TRYPSIN COMPLEXED TO APPI | Descriptor: | CALCIUM ION, PROTEASE INHIBITOR DOMAIN OF ALZHEIMER'S AMYLOID BETA-PROTEIN PRECURSOR, TRYPSIN | Authors: | Hynes, T.R, Kossiakoff, A.A. | Deposit date: | 1996-12-19 | Release date: | 1997-06-24 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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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