2BZI
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![BU of 2bzi by Molmil](/molmil-images/mine/2bzi) | CRYSTAL STRUCTURE OF THE HUMAN PIM1 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU2 | Descriptor: | PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1, RU-PYRIDOCARBAZOLE-2 | Authors: | Debreczeni, J.E, Bullock, A, Knapp, S, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A. | Deposit date: | 2005-08-18 | Release date: | 2005-12-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Human Pim1 in Complex with Ruthenium Organometallic Ligands To be Published
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6Y6S
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![BU of 6y6s by Molmil](/molmil-images/mine/6y6s) | Mouse Galactocerebrosidase complexed with galacto-noeurostegine GNS at pH 6.8 | Descriptor: | (1~{R},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Deane, J.E, McLoughlin, J. | Deposit date: | 2020-02-27 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Bicyclic Form of galacto -Noeurostegine Is a Potent Inhibitor of beta-Galactocerebrosidase. Acs Med.Chem.Lett., 12, 2021
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3O48
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![BU of 3o48 by Molmil](/molmil-images/mine/3o48) | Crystal structure of fission protein Fis1 from Saccharomyces cerevisiae | Descriptor: | Mitochondria fission 1 protein | Authors: | Tooley, J.E, Khangulov, V, Heroux, A, Bosch, J, Hill, R.B. | Deposit date: | 2010-07-26 | Release date: | 2011-08-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The 1.75 Angstrom resolution structure of fission protein Fis1 from Saccharomyces cerevisiae reveals elusive interactions of the autoinhibitory domain Acta Crystallogr.,Sect.F, 67, 2011
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6Y5T
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![BU of 6y5t by Molmil](/molmil-images/mine/6y5t) | Crystal structure of savinase at room temperature | Descriptor: | CALCIUM ION, SODIUM ION, Subtilisin Savinase | Authors: | Wu, S, Moroz, O, Turkenburg, J, Nielsen, J.E, Wilson, K.S, Teilum, K. | Deposit date: | 2020-02-25 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Conformational heterogeneity of Savinase from NMR, HDX-MS and X-ray diffraction analysis. Peerj, 8, 2020
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1RZV
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![BU of 1rzv by Molmil](/molmil-images/mine/1rzv) | Crystal structure of the glycogen synthase from Agrobacterium tumefaciens (non-complexed form) | Descriptor: | Glycogen synthase 1 | Authors: | Buschiazzo, A, Guerin, M.E, Ugalde, J.E, Ugalde, R.A, Shepard, W, Alzari, P.M. | Deposit date: | 2003-12-29 | Release date: | 2004-08-31 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of glycogen synthase: homologous enzymes catalyze glycogen synthesis and degradation. Embo J., 23, 2004
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3NR7
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![BU of 3nr7 by Molmil](/molmil-images/mine/3nr7) | |
7TA2
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![BU of 7ta2 by Molmil](/molmil-images/mine/7ta2) | Crystal structure of the human sperm-expressed surface protein SPACA6 | Descriptor: | BROMIDE ION, Sperm acrosome membrane-associated protein 6 | Authors: | Vance, T.D.R, Yip, P, Jimenez, E, Uson, I, Lee, J.E. | Deposit date: | 2021-12-20 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | SPACA6 ectodomain structure reveals a conserved superfamily of gamete fusion-associated proteins. Commun Biol, 5, 2022
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2Y4L
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![BU of 2y4l by Molmil](/molmil-images/mine/2y4l) | MANNOSYLGLYCERATE SYNTHASE IN COMPLEX WITH Manganese and GDP | Descriptor: | 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, MALONATE ION, ... | Authors: | Nielsen, M.M, Suits, M.D.L, Yang, M, Barry, C.S, Martinez-Fleites, C, Tailford, L.E, Flint, J.E, Davis, B.G, Davies, G.J, Gilbert, H.J. | Deposit date: | 2011-01-07 | Release date: | 2011-02-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase. J.Biol.Chem., 286, 2011
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2XDU
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![BU of 2xdu by Molmil](/molmil-images/mine/2xdu) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | 1-CHLORO-4-METHYLPHTHALAZINE, DIMETHYL SULFOXIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA, ... | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-05-07 | Release date: | 2010-09-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency. J.Med.Chem., 53, 2010
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6V3Z
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![BU of 6v3z by Molmil](/molmil-images/mine/6v3z) | |
4HMC
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![BU of 4hmc by Molmil](/molmil-images/mine/4hmc) | Crystal structure of cold-adapted chitinase from Moritella marina | Descriptor: | Chitinase 60, GLYCEROL, SODIUM ION | Authors: | Malecki, P.H, Vorgias, C.E, Raczynska, J.E, Rypniewski, W. | Deposit date: | 2012-10-18 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a complete four-domain chitinase from Moritella marina, a marine psychrophilic bacterium Acta Crystallogr.,Sect.D, 69, 2013
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3R2Q
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![BU of 3r2q by Molmil](/molmil-images/mine/3r2q) | Crystal Structure Analysis of yibF from E. Coli | Descriptor: | 1,2-ETHANEDIOL, GLUTATHIONE, PHOSPHATE ION, ... | Authors: | Ladner, J.E, Harp, J, Schaab, M, Stournan, N.V, Armstrong, R.N. | Deposit date: | 2011-03-14 | Release date: | 2012-03-14 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Structural and Functional Genomics of YibF, a Glutathione Transferase Homologue from Escherichia coli to be published
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6V4R
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![BU of 6v4r by Molmil](/molmil-images/mine/6v4r) | |
5IP8
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![BU of 5ip8 by Molmil](/molmil-images/mine/5ip8) | Lambda-Ru(TAP)2dppz bound to d(CCGGCTCCGG) | Descriptor: | BARIUM ION, DNA (5'-D(*CP*CP*GP*GP*AP*GP*CP*CP*GP*G)-3'), DNA (5'-D(*CP*CP*GP*GP*CP*TP*CP*CP*GP*G)-3'), ... | Authors: | Souter, J.E, Hall, J.P, Cardin, C.J. | Deposit date: | 2016-03-09 | Release date: | 2017-03-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Sequence specific binding of light activated Ru-polypyridyls To Be Published
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1DTO
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![BU of 1dto by Molmil](/molmil-images/mine/1dto) | CRYSTAL STRUCTURE OF THE COMPLETE TRANSACTIVATION DOMAIN OF E2 PROTEIN FROM THE HUMAN PAPILLOMAVIRUS TYPE 16 | Descriptor: | REGULATORY PROTEIN E2 | Authors: | Antson, A.A, Burns, J.E, Moroz, O.V, Scott, D.J, Sanders, C.M, Bronstein, I.B, Dodson, G.G, Wilson, K.S, Maitland, N. | Deposit date: | 2000-01-13 | Release date: | 2000-02-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the intact transactivation domain of the human papillomavirus E2 protein. Nature, 403, 2000
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6YCH
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![BU of 6ych by Molmil](/molmil-images/mine/6ych) | Crystal structure of GcoA T296A bound to guaiacol | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aromatic O-demethylase, cytochrome P450 subunit, ... | Authors: | Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, DuBois, J.L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2020-03-18 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
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6YCL
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![BU of 6ycl by Molmil](/molmil-images/mine/6ycl) | Crystal structure of GcoA T296G bound to p-vanillin | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ... | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | Deposit date: | 2020-03-18 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
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6YCK
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![BU of 6yck by Molmil](/molmil-images/mine/6yck) | Crystal structure of GcoA T296A bound to p-vanillin | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, ... | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | Deposit date: | 2020-03-18 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
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6YCO
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![BU of 6yco by Molmil](/molmil-images/mine/6yco) | Crystal structure of GcoA F169S bound to o-vanillin | Descriptor: | 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | Deposit date: | 2020-03-18 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
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5OMS
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![BU of 5oms by Molmil](/molmil-images/mine/5oms) | Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with guaethol. | Descriptor: | 2-ethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2017-08-01 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
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6YCJ
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![BU of 6ycj by Molmil](/molmil-images/mine/6ycj) | Crystal structure of GcoA T296S bound to guaiacol | Descriptor: | Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ... | Authors: | Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | Deposit date: | 2020-03-18 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
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6YCT
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![BU of 6yct by Molmil](/molmil-images/mine/6yct) | Crystal structure of GcoA F169A_T296S bound to p-vanillin | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Cytochrome P450, ... | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | Deposit date: | 2020-03-19 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
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6YCP
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![BU of 6ycp by Molmil](/molmil-images/mine/6ycp) | Crystal structure of GcoA F169V bound to o-vanillin | Descriptor: | 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | Deposit date: | 2020-03-18 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
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2BSM
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![BU of 2bsm by Molmil](/molmil-images/mine/2bsm) | Novel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design | Descriptor: | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP90-ALPHA | Authors: | Dymock, B.W, Barril, X, Brough, P.A, Cansfield, J.E, Massey, A, McDonald, E, Hubbard, R.E, Surgenor, A, Roughley, S.D, Webb, P, Workman, P, Wright, L, Drysdale, M.J. | Deposit date: | 2005-05-23 | Release date: | 2005-06-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design. J. Med. Chem., 48, 2005
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6YCN
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![BU of 6ycn by Molmil](/molmil-images/mine/6ycn) | Crystal structure of GcoA F169A bound to o-vanillin | Descriptor: | 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | Deposit date: | 2020-03-18 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
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