4GRV
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![BU of 4grv by Molmil](/molmil-images/mine/4grv) | The crystal structure of the neurotensin receptor NTS1 in complex with neurotensin (8-13) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Neurotensin 8-13, Neurotensin receptor type 1, ... | Authors: | Noinaj, N, White, J.F, Shibata, Y, Love, J, Kloss, B, Xu, F, Gvozdenovic-Jeremic, J, Shah, P, Shiloach, J, Tate, C.G, Grisshammer, R. | Deposit date: | 2012-08-27 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Structure of the agonist-bound neurotensin receptor. Nature, 490, 2012
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4FHH
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![BU of 4fhh by Molmil](/molmil-images/mine/4fhh) | Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition | Descriptor: | N-hydroxy-2-{4-[3-(4-{[(2S)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide, Nuclear receptor coactivator 2, Vitamin D3 receptor A | Authors: | Fischer, J, Wang, T.T, Kaldre, D, Rochel, N, Moras, D, White, J.H, Gleason, J.L. | Deposit date: | 2012-06-06 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Synthetically accessible non-secosteroidal hybrid molecules combining vitamin d receptor agonism and histone deacetylase inhibition. Chem.Biol., 19, 2012
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4FHI
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![BU of 4fhi by Molmil](/molmil-images/mine/4fhi) | Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition | Descriptor: | N-hydroxy-2-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide, SRC-1, Vitamin Nuclear Receptor | Authors: | Fischer, J, Wang, T.T, Kaldre, D, Rochel, N, Moras, D, White, J.H, Gleason, J.L. | Deposit date: | 2012-06-06 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthetically accessible non-secosteroidal hybrid molecules combining vitamin d receptor agonism and histone deacetylase inhibition. Chem.Biol., 19, 2012
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3HQ2
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![BU of 3hq2 by Molmil](/molmil-images/mine/3hq2) | BsuCP Crystal Structure | Descriptor: | Bacillus subtilis M32 carboxypeptidase, CHLORIDE ION, FLUORIDE ION, ... | Authors: | Lee, M.M, Isaza, C.E, White, J.D, Chen, R.P.-Y, Liang, G.F.-C, He, H.T.-F, Chan, S.I, Chan, M.K. | Deposit date: | 2009-06-05 | Release date: | 2009-06-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Insight into the substrate length restriction of M32 carboxypeptidases: Characterization of two distinct subfamilies. Proteins, 77, 2009
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2WJ9
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![BU of 2wj9 by Molmil](/molmil-images/mine/2wj9) | ArdB | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Weikart, N.D, Roberts, G, Johnson, K.A, Oke, M, Cooper, L.P, McMahon, S.A, White, J.H, Liu, H, Carter, L.G, Walkinshaw, M.D, Blakely, G.W, Naismith, J.H, Dryden, D.T.F. | Deposit date: | 2009-05-25 | Release date: | 2010-08-18 | Last modified: | 2018-05-02 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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2KMG
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![BU of 2kmg by Molmil](/molmil-images/mine/2kmg) | The structure of the KlcA and ArdB proteins show a novel fold and antirestriction activity against Type I DNA restriction systems in vivo but not in vitro | Descriptor: | KlcA | Authors: | Serfiotis-Mitsa, D, Herbert, A.P, Roberts, G.A, Soares, D.C, White, J.H, Blakely, G.W, Uhrin, D, Dryden, D.T.F. | Deposit date: | 2009-07-28 | Release date: | 2009-12-29 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The structure of the KlcA and ArdB proteins reveals a novel fold and antirestriction activity against Type I DNA restriction systems in vivo but not in vitro Nucleic Acids Res., 38, 2010
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449D
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![BU of 449d by Molmil](/molmil-images/mine/449d) | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX | Descriptor: | 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J. | Deposit date: | 1999-01-20 | Release date: | 2000-02-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design. Nucleic Acids Res., 28, 2000
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445D
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![BU of 445d by Molmil](/molmil-images/mine/445d) | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', Benzimidazole derivative complex | Descriptor: | 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J. | Deposit date: | 1999-01-14 | Release date: | 2000-02-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design. Nucleic Acids Res., 28, 2000
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448D
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![BU of 448d by Molmil](/molmil-images/mine/448d) | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX | Descriptor: | 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Clark, G.R, Squire, C.J, Martin, R.F, White, J. | Deposit date: | 1999-01-20 | Release date: | 2000-02-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design. Nucleic Acids Res., 28, 2000
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443D
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![BU of 443d by Molmil](/molmil-images/mine/443d) | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'/ BENZIMIDAZOLE DERIVATIVE COMPLEX | Descriptor: | 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J. | Deposit date: | 1999-01-14 | Release date: | 2000-02-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design. Nucleic Acids Res., 28, 2000
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8E17
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![BU of 8e17 by Molmil](/molmil-images/mine/8e17) | BRD4-D1 in complex with BET inhibitor | Descriptor: | (4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W. | Deposit date: | 2022-08-09 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography. Chem.Commun.(Camb.), 59, 2023
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8E3W
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![BU of 8e3w by Molmil](/molmil-images/mine/8e3w) | BRD4-D1 in complex with BET inhibitor | Descriptor: | (4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W. | Deposit date: | 2022-08-17 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography. Chem.Commun.(Camb.), 59, 2023
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8DYR
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![BU of 8dyr by Molmil](/molmil-images/mine/8dyr) | BRD4-D1 in complex with BET inhibitor | Descriptor: | (4P,6P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W. | Deposit date: | 2022-08-04 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography. Chem.Commun.(Camb.), 59, 2023
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447D
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![BU of 447d by Molmil](/molmil-images/mine/447d) | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3' | Descriptor: | 2'-(4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J. | Deposit date: | 1999-01-18 | Release date: | 2000-03-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design. Nucleic Acids Res., 28, 2000
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444D
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![BU of 444d by Molmil](/molmil-images/mine/444d) | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX | Descriptor: | 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Clark, G.R, Squire, C.J, Martin, R.F, White, J. | Deposit date: | 1999-01-14 | Release date: | 2000-02-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design. Nucleic Acids Res., 28, 2000
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442D
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![BU of 442d by Molmil](/molmil-images/mine/442d) | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX | Descriptor: | 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Clark, G.R, Squire, C.J, Martin, R.F, White, J. | Deposit date: | 1999-01-14 | Release date: | 2000-02-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design. Nucleic Acids Res., 28, 2000
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1OJW
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![BU of 1ojw by Molmil](/molmil-images/mine/1ojw) | Decay accelerating factor (CD55): the structure of an intact human complement regulator. | Descriptor: | COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, SULFATE ION | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, C.M, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | Deposit date: | 2003-07-16 | Release date: | 2004-01-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor Proc.Natl.Acad.Sci.USA, 101, 2004
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1OJY
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![BU of 1ojy by Molmil](/molmil-images/mine/1ojy) | Decay accelerating factor (cd55): the structure of an intact human complement regulator. | Descriptor: | ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ... | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | Deposit date: | 2003-07-16 | Release date: | 2004-01-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor Proc.Natl.Acad.Sci.USA, 101, 2004
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1OK2
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![BU of 1ok2 by Molmil](/molmil-images/mine/1ok2) | Decay accelerating factor (CD55): the structure of an intact human complement regulator. | Descriptor: | ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ... | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | Deposit date: | 2003-07-16 | Release date: | 2004-01-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor Proc.Natl.Acad.Sci.USA, 101, 2004
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1OJV
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![BU of 1ojv by Molmil](/molmil-images/mine/1ojv) | Decay accelerating factor (CD55): the structure of an intact human complement regulator. | Descriptor: | ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ... | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, C.M, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | Deposit date: | 2003-07-16 | Release date: | 2004-01-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor Proc.Natl.Acad.Sci.USA, 101, 2004
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1OK1
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![BU of 1ok1 by Molmil](/molmil-images/mine/1ok1) | Decay accelerating factor (cd55) : the structure of an intact human complement regulator. | Descriptor: | ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ... | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | Deposit date: | 2003-07-16 | Release date: | 2004-01-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor Proc.Natl.Acad.Sci.USA, 101, 2004
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1OK3
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![BU of 1ok3 by Molmil](/molmil-images/mine/1ok3) | Decay accelerating factor (cd55): the structure of an intact human complement regulator. | Descriptor: | ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ... | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | Deposit date: | 2003-07-16 | Release date: | 2004-01-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor Proc.Natl.Acad.Sci.USA, 101, 2004
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1OK9
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![BU of 1ok9 by Molmil](/molmil-images/mine/1ok9) | Decay accelerating factor (CD55): The structure of an intact human complement regulator. | Descriptor: | ACETATE ION, CHLORIDE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, ... | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | Deposit date: | 2003-07-21 | Release date: | 2004-01-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor Proc.Natl.Acad.Sci.USA, 101, 2004
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4CD8
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![BU of 4cd8 by Molmil](/molmil-images/mine/4cd8) | The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManMIm | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | Deposit date: | 2013-10-30 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate. Angew.Chem.Int.Ed.Engl., 53, 2014
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4CD5
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![BU of 4cd5 by Molmil](/molmil-images/mine/4cd5) | The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManMIm | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ENDO-1,4-BETA MANNANASE, PUTATIVE, ... | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | Deposit date: | 2013-10-30 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate. Angew.Chem.Int.Ed.Engl., 53, 2014
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