4GMI
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![BU of 4gmi by Molmil](/molmil-images/mine/4gmi) | BACE-1 in complex with HEA-type macrocyclic inhibitor, MV078571 | Descriptor: | (4S,8E)-4-[(1R)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, ACETATE ION, Beta-secretase 1, ... | Authors: | Lindberg, J.D, Derbyshire, D. | Deposit date: | 2012-08-16 | Release date: | 2013-09-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and synthesis of novel BACE-1 inhibitors To be Published
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3I25
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![BU of 3i25 by Molmil](/molmil-images/mine/3i25) | Potent Beta-Secretase 1 hydroxyethylene Inhibitor | Descriptor: | Beta-secretase 1, N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | Authors: | Lindberg, J.D, Borkakoti, N, Nystrom, S. | Deposit date: | 2009-06-29 | Release date: | 2010-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of potent BACE-1 inhibitors containing a new hydroxyethylene (HE) scaffold: exploration of P1' alkoxy residues and an aminoethylene (AE) central core Bioorg.Med.Chem., 18, 2010
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1KY0
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![BU of 1ky0 by Molmil](/molmil-images/mine/1ky0) | METHIONINE CORE MUTANT OF T4 LYSOZYME | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | Authors: | Gassner, N.C, Baase, W.A, Mooers, B.H, Busam, R.D, Weaver, L.H, Lindstrom, J.D, Quillin, M.L, Matthews, B.W. | Deposit date: | 2002-02-01 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Multiple methionine substitutions are tolerated in T4 lysozyme and have coupled effects on folding and stability BIOPHYS.CHEM., 100, 2003
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1KY1
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![BU of 1ky1 by Molmil](/molmil-images/mine/1ky1) | METHIONINE CORE MUTANT OF T4 LYSOZYME | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | Authors: | Gassner, N.C, Baase, W.A, Mooers, B.H, Busam, R.D, Weaver, L.H, Lindstrom, J.D, Quillin, M.L, Matthews, B.W. | Deposit date: | 2002-02-01 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Multiple methionine substitutions are tolerated in T4 lysozyme and have coupled effects on folding and stability BIOPHYS.CHEM., 100, 2003
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1L0K
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![BU of 1l0k by Molmil](/molmil-images/mine/1l0k) | METHIONINE CORE MUTANT OF T4 LYSOZYME | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | Authors: | Gassner, N.C, Baase, W.A, Mooers, B.H, Busam, R.D, Weaver, L.H, Lindstrom, J.D, Quillin, M.L, Matthews, B.W. | Deposit date: | 2002-02-11 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Multiple methionine substitutions are tolerated in T4 lysozyme and have coupled effects on folding and stability BIOPHYS.CHEM., 100, 2003
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1L0J
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![BU of 1l0j by Molmil](/molmil-images/mine/1l0j) | METHIONINE CORE MUTANT OF T4 LYSOZYME | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | Authors: | Gassner, N.C, Baase, W.A, Mooers, B.H, Busam, R.D, Weaver, L.H, Lindstrom, J.D, Quillin, M.L, Matthews, B.W. | Deposit date: | 2002-02-11 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Multiple methionine substitutions are tolerated in T4 lysozyme and have coupled effects on folding and stability BIOPHYS.CHEM., 100, 2003
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3IXK
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![BU of 3ixk by Molmil](/molmil-images/mine/3ixk) | Potent beta-secretase 1 inhibitor | Descriptor: | Beta-secretase 1, N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | Authors: | Borkakoti, N, Lindberg, J.D, Nystrom, S. | Deposit date: | 2009-09-04 | Release date: | 2010-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Synthesis of potent BACE-1 inhibitors incorporating a hydroxyethylene isostere as central core. Eur.J.Med.Chem., 45, 2010
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1KW5
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![BU of 1kw5 by Molmil](/molmil-images/mine/1kw5) | METHIONINE CORE MUTANT OF T4 LYSOZYME | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | Authors: | Gassner, N.C, Baase, W.A, Mooers, B.H, Busam, R.D, Weaver, L.H, Lindstrom, J.D, Quillin, M.L, Matthews, B.W. | Deposit date: | 2002-01-28 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Multiple methionine substitutions are tolerated in T4 lysozyme and have coupled effects on folding and stability BIOPHYS.CHEM., 100, 2003
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7KE0
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![BU of 7ke0 by Molmil](/molmil-images/mine/7ke0) | |
1KW7
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![BU of 1kw7 by Molmil](/molmil-images/mine/1kw7) | METHIONINE CORE MUTANT OF T4 LYSOZYME | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | Authors: | Gassner, N.C, Baase, W.A, Mooers, B.H, Busam, R.D, Weaver, L.H, Lindstrom, J.D, Quillin, M.L, Matthews, B.W. | Deposit date: | 2002-01-28 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Multiple methionine substitutions are tolerated in T4 lysozyme and have coupled effects on folding and stability BIOPHYS.CHEM., 100, 2003
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2JVB
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![BU of 2jvb by Molmil](/molmil-images/mine/2jvb) | |
7UB5
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![BU of 7ub5 by Molmil](/molmil-images/mine/7ub5) | |
7UB0
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![BU of 7ub0 by Molmil](/molmil-images/mine/7ub0) | |
7UB6
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![BU of 7ub6 by Molmil](/molmil-images/mine/7ub6) | |
3TMO
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![BU of 3tmo by Molmil](/molmil-images/mine/3tmo) | The catalytic domain of human deubiquitinase DUBA | Descriptor: | OTU domain-containing protein 5 | Authors: | Yin, J, Bosanac, I, Ma, X, Hymowitz, S, Starovasnik, M, Cochran, A. | Deposit date: | 2011-08-31 | Release date: | 2012-01-11 | Last modified: | 2012-02-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Phosphorylation-dependent activity of the deubiquitinase DUBA. Nat.Struct.Mol.Biol., 19, 2012
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1CX7
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![BU of 1cx7 by Molmil](/molmil-images/mine/1cx7) | T4 LYSOZYME METHIONINE CORE MUTANT | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | Authors: | Gassner, N.C, Baase, W.A, Lindstrom, J, Lu, J, Matthews, B.W. | Deposit date: | 1999-08-28 | Release date: | 1999-11-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Use of differentially substituted selenomethionine proteins in X-ray structure determination. Acta Crystallogr.,Sect.D, 55, 1999
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6FDG
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![BU of 6fdg by Molmil](/molmil-images/mine/6fdg) | |
4JRN
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![BU of 4jrn by Molmil](/molmil-images/mine/4jrn) | ROP18 kinase domain in complex with AMP-PNP and sucrose | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Rhoptry kinase family protein, ... | Authors: | Lim, D, Gold, D.A, Lindsay, J, Rosowski, E.E, Niedelman, W, Yaffe, M.B, Saeij, J.P.J. | Deposit date: | 2013-03-21 | Release date: | 2013-10-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structure of the Toxoplasma gondii ROP18 kinase domain reveals a second ligand binding pocket required for acute virulence. J.Biol.Chem., 288, 2013
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1EBY
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![BU of 1eby by Molmil](/molmil-images/mine/1eby) | HIV-1 protease in complex with the inhibitor BEA369 | Descriptor: | HIV-1 PROTEASE, N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | Authors: | Unge, T. | Deposit date: | 2000-01-25 | Release date: | 2002-06-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.294 Å) | Cite: | Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors Eur.J.Biochem., 270, 2003
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