4N00
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![BU of 4n00 by Molmil](/molmil-images/mine/4n00) | Discovery of 7-THP chromans: BACE1 inhibitors that reduce A-beta in the CNS | Descriptor: | (4R,4a'S,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION | Authors: | Vigers, G.P.A, Smith, D. | Deposit date: | 2013-09-30 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of 7-tetrahydropyran-2-yl chromans: beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors that reduce amyloid beta-protein (A beta ) in the central nervous system. J.Med.Chem., 57, 2014
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3BS4
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![BU of 3bs4 by Molmil](/molmil-images/mine/3bs4) | Crystal structure of uncharacterized protein PH0321 from Pyrococcus horikoshii in complex with an unknown peptide | Descriptor: | Uncharacterized protein PH0321, Unknown peptide | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Hu, S, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-12-21 | Release date: | 2008-01-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of uncharacterized protein PH0321 from Pyrococcus horikoshii in complex with an unknown peptide. To be Published
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3C97
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![BU of 3c97 by Molmil](/molmil-images/mine/3c97) | Crystal structure of the response regulator receiver domain of a signal transduction histidine kinase from Aspergillus oryzae | Descriptor: | Signal transduction histidine kinase | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-02-15 | Release date: | 2008-03-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the response regulator receiver domain of a signal transduction histidine kinase from Aspergillus oryzae. To be Published
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3BMA
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![BU of 3bma by Molmil](/molmil-images/mine/3bma) | Crystal structure of D-alanyl-lipoteichoic acid synthetase from Streptococcus pneumoniae R6 | Descriptor: | D-alanyl-lipoteichoic acid synthetase, GLYCEROL, SULFATE ION | Authors: | Patskovsky, Y, Sridhar, V, Bonanno, J.B, Smith, D, Rutter, M, Iizuka, M, Koss, J, Bain, K, Gheyi, T, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-12-12 | Release date: | 2007-12-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Crystal Structure of probable D-Alanyl-Lipoteichoic Acid Synthetase from Streptococcus pneumoniae. To be Published
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3BVC
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![BU of 3bvc by Molmil](/molmil-images/mine/3bvc) | Crystal structure of uncharacterized protein Ism_01780 from Roseovarius nubinhibens ISM | Descriptor: | CALCIUM ION, NICKEL (II) ION, Uncharacterized protein Ism_01780 | Authors: | Patskovsky, Y, Toro, R, Meyer, A.J, Rutter, M, Iizuka, M, Maletic, M, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-01-06 | Release date: | 2008-02-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of an uncharacterized protein Ism_01780 from Roseovarius nubinhibens. To be Published
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3C8C
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![BU of 3c8c by Molmil](/molmil-images/mine/3c8c) | Crystal structure of Mcp_N and cache domains of methyl-accepting chemotaxis protein from Vibrio cholerae | Descriptor: | ALANINE, MAGNESIUM ION, Methyl-accepting chemotaxis protein | Authors: | Patskovsky, Y, Ozyurt, S, Freeman, J, Hu, S, Smith, D, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-02-11 | Release date: | 2008-02-19 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of Mcp_N and cache N-terminal domains of methyl-accepting chemotaxis protein from Vibrio cholerae. To be Published
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3C9F
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![BU of 3c9f by Molmil](/molmil-images/mine/3c9f) | Crystal structure of 5'-nucleotidase from Candida albicans SC5314 | Descriptor: | 5'-nucleotidase, FORMIC ACID, SODIUM ION, ... | Authors: | Patskovsky, Y, Romero, R, Gilmore, M, Eberle, M, Bain, K, Smith, D, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-02-15 | Release date: | 2008-02-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of 5'-nucleotidase from Candida albicans. To be Published
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3CBW
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![BU of 3cbw by Molmil](/molmil-images/mine/3cbw) | Crystal structure of the YdhT protein from Bacillus subtilis | Descriptor: | CITRIC ACID, YdhT protein | Authors: | Bonanno, J.B, Rutter, M, Bain, K.T, Iizuka, M, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-02-23 | Release date: | 2008-03-11 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.269 Å) | Cite: | Crystal structure of the YdhT protein from Bacillus subtilis. To be Published
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3CDX
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![BU of 3cdx by Molmil](/molmil-images/mine/3cdx) | Crystal structure of succinylglutamatedesuccinylase/aspartoacylase from Rhodobacter sphaeroides | Descriptor: | CALCIUM ION, Succinylglutamatedesuccinylase/aspartoacylase | Authors: | Bonanno, J.B, Rutter, M, Bain, K.T, Iizuka, M, Patterson, K, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-02-27 | Release date: | 2008-03-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of succinylglutamatedesuccinylase/aspartoacylase from Rhodobacter sphaeroides. To be Published
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2QGY
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![BU of 2qgy by Molmil](/molmil-images/mine/2qgy) | Crystal structure of an enolase from the environmental genome shotgun sequencing of the Sargasso Sea | Descriptor: | Enolase from the environmental genome shotgun sequencing of the Sargasso Sea, MAGNESIUM ION | Authors: | Bonanno, J.B, Gilmore, M, Bain, K.T, Lau, C, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-06-29 | Release date: | 2007-07-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of an enolase from the environmental genome shotgun sequencing of the Sargasso Sea. To be Published
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2QU7
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![BU of 2qu7 by Molmil](/molmil-images/mine/2qu7) | Crystal structure of a putative transcription regulator from Staphylococcus saprophyticus subsp. saprophyticus | Descriptor: | CHLORIDE ION, Putative transcriptional regulator | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Mendoza, M, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-08-03 | Release date: | 2007-08-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a putative transcription regulator from Staphylococcus saprophyticus subsp. saprophyticus. To be Published
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2QUP
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![BU of 2qup by Molmil](/molmil-images/mine/2qup) | Crystal structure of uncharacterized protein BH1478 from Bacillus halodurans | Descriptor: | BH1478 protein, GLYCEROL | Authors: | Patskovsky, Y, Bonanno, J.B, Rutter, M, Mckenzie, C, Bain, K.T, Smith, D, Ozyurt, S, Gheyi, T, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-08-06 | Release date: | 2007-08-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Uncharacterized Protein Bh1478 from Bacillus Halodurans. To be Published
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2QW6
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![BU of 2qw6 by Molmil](/molmil-images/mine/2qw6) | Crystal structure of the C-terminal domain of an AAA ATPase from Enterococcus faecium DO | Descriptor: | AAA ATPase, central region | Authors: | Bonanno, J.B, Rutter, M, Bain, K.T, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-08-09 | Release date: | 2007-08-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the C-terminal domain of an AAA ATPase from Enterococcus faecium DO. To be Published
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2QR3
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![BU of 2qr3 by Molmil](/molmil-images/mine/2qr3) | Crystal structure of the N-terminal signal receiver domain of two-component system response regulator from Bacteroides fragilis | Descriptor: | Two-component system response regulator | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Mendoza, M, Romero, R, Fong, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-07-27 | Release date: | 2007-08-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the N-terminal signal receiver domain of two-component system response regulator from Bacteroides fragilis. To be Published
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2QV0
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![BU of 2qv0 by Molmil](/molmil-images/mine/2qv0) | Crystal structure of the response regulatory domain of protein mrkE from Klebsiella pneumoniae | Descriptor: | Protein mrkE | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Iizuka, I, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-08-07 | Release date: | 2007-08-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the response regulatory domain of protein mrkE from Klebsiella pneumoniae. To be Published
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2QSJ
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![BU of 2qsj by Molmil](/molmil-images/mine/2qsj) | Crystal structure of a LuxR family DNA-binding response regulator from Silicibacter pomeroyi | Descriptor: | DNA-binding response regulator, LuxR family | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Mendoza, M, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-07-31 | Release date: | 2007-08-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a LuxR family DNA-binding response regulator from Silicibacter pomeroyi. To be Published
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2R1F
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![BU of 2r1f by Molmil](/molmil-images/mine/2r1f) | Crystal structure of predicted aminodeoxychorismate lyase from Escherichia coli | Descriptor: | CADMIUM ION, GLYCEROL, Predicted aminodeoxychorismate lyase, ... | Authors: | Patskovsky, Y, Ramagopal, U.A, Toro, R, Meyer, A.J, Rutter, M, Lau, C, Maletic, M, Smith, D, Gheyi, T, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-08-22 | Release date: | 2007-09-04 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal Structure of Predicted Aminodeoxychorismate Lyase from Escherichia coli. To be Published
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2QV5
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![BU of 2qv5 by Molmil](/molmil-images/mine/2qv5) | Crystal structure of uncharacterized protein ATU2773 from Agrobacterium tumefaciens C58 | Descriptor: | GLYCEROL, Uncharacterized protein Atu2773 | Authors: | Patskovsky, Y, Bonanno, J.B, Sojitra, S, Dickey, M, Bain, K.T, Iizuka, M, Smith, D, Rodgers, L, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-08-07 | Release date: | 2007-08-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Uncharacterized Protein Atu2773 from Agrobacterium Tumefaciens. To be Published
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2QZB
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![BU of 2qzb by Molmil](/molmil-images/mine/2qzb) | Crystal structure of the uncharacterized protein yfeY from Escherichia coli | Descriptor: | Uncharacterized protein yfeY | Authors: | Bonanno, J.B, Gilmore, M, Bain, K.T, Wu, B, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-08-16 | Release date: | 2007-08-28 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the uncharacterized protein yfeY from Escherichia coli. To be Published
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2R8U
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![BU of 2r8u by Molmil](/molmil-images/mine/2r8u) | |
4RRS
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![BU of 4rrs by Molmil](/molmil-images/mine/4rrs) | 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors | Descriptor: | (4R,4a'R,10a'S)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | Authors: | Thomas, A.A, Hunt, K.W, Newhouse, B, Watts, R.J, Liu, X, Vigers, G.P.A, Smith, D, Rhodes, S.P, Brown, K.D, Otten, J.N, Burkard, M, Cox, A.A, Geck Do, M.K, Dutcher, D, Rana, S, DeLisle, R.K, Regal, K, Wright, A.D, Groneberg, R, Liao, J, Scearce-Levie, K, Siu, M, Purkey, H.E, Lyssikatos, J.P. | Deposit date: | 2014-11-06 | Release date: | 2014-12-03 | Last modified: | 2014-12-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors. J.Med.Chem., 57, 2014
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4RRN
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![BU of 4rrn by Molmil](/molmil-images/mine/4rrn) | 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors | Descriptor: | (4S,4a'S,10a'R)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION | Authors: | Thomas, A.A, Hunt, K.W, Newhouse, B, Watts, R.J, Liu, X, Vigers, G.P.A, Smith, D, Rhodes, S.P, Brown, K.D, Otten, J.N, Burkard, M, Cox, A.A, Geck Do, M.K, Dutcher, D, Rana, S, DeLisle, R.K, Regal, K, Wright, A.D, Groneberg, R, Liao, J, Scearce-Levie, K, Siu, M, Purkey, H.E, Lyssikatos, J.P. | Deposit date: | 2014-11-06 | Release date: | 2014-12-03 | Last modified: | 2014-12-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors. J.Med.Chem., 57, 2014
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3I59
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![BU of 3i59 by Molmil](/molmil-images/mine/3i59) | Crystal structure of MtbCRP in complex with N6-cAMP | Descriptor: | (2R)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate, (2S)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate, CHLORIDE ION, ... | Authors: | Reddy, M.C, Palaninathan, S.K, Bruning, J.B, Thurman, C, Smith, D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2009-07-03 | Release date: | 2009-09-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural Insights into the Mechanism of the Allosteric Transitions of Mycobacterium tuberculosis cAMP Receptor Protein. J.Biol.Chem., 284, 2009
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4RRO
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![BU of 4rro by Molmil](/molmil-images/mine/4rro) | 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors | Descriptor: | (4S,4a'R,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1,4a'-dimethyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION | Authors: | Thomas, A.A, Hunt, K.W, Newhouse, B, Watts, R.J, Liu, X, Vigers, G.P.A, Smith, D, Rhodes, S.P, Brown, K.D, Otten, J.N, Burkard, M, Cox, A.A, Geck Do, M.K, Dutcher, D, Rana, S, DeLisle, R.K, Regal, K, Wright, A.D, Groneberg, R, Liao, J, Scearce-Levie, K, Siu, M, Purkey, H.E, Lyssikatos, J.P. | Deposit date: | 2014-11-06 | Release date: | 2014-12-03 | Last modified: | 2014-12-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors. J.Med.Chem., 57, 2014
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6OPI
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![BU of 6opi by Molmil](/molmil-images/mine/6opi) | phosphorylated ERK2 with SCH-CPD336 | Descriptor: | (3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1 | Authors: | Vigers, G.P, Smith, D. | Deposit date: | 2019-04-25 | Release date: | 2019-07-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2. Proc.Natl.Acad.Sci.USA, 116, 2019
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