7AWX
 
 | | Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 55 | | Descriptor: | Macrocyclic SAFit analogue 55, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F. | | Deposit date: | 2020-11-09 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors.
J.Med.Chem., 64, 2021
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2PZF
 | | Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer with delta F508 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | Authors: | Atwell, S, Conners, K, Emtage, S, Gheyi, T, Glenn, N.R, Hendle, J, Lewis, H.A, Lu, F, Rodgers, L.A, Romero, R, Sauder, J.M, Smith, D, Tien, H, Wasserman, S.R, Zhao, X. | | Deposit date: | 2007-05-18 | | Release date: | 2007-10-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of a minimal human CFTR first nucleotide-binding domain as a monomer, head-to-tail homodimer, and pathogenic mutant.
Protein Eng.Des.Sel., 23, 2010
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2PZG
 | | Minimal human CFTR first nucleotide binding domain as a monomer | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, GLYCEROL, ... | | Authors: | Atwell, S, Conners, K, Emtage, S, Gheyi, T, Glenn, N.R, Hendle, J, Lewis, H.A, Lu, F, Rodgers, L.A, Romero, R, Sauder, J.M, Smith, D, Tien, H, Wasserman, S.R, Zhao, X. | | Deposit date: | 2007-05-18 | | Release date: | 2007-10-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of a minimal human CFTR first nucleotide-binding domain as a monomer, head-to-tail homodimer, and pathogenic mutant.
Protein Eng.Des.Sel., 23, 2010
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2PZE
 | | Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | Authors: | Atwell, S, Conners, K, Emtage, S, Gheyi, T, Glenn, N.R, Hendle, J, Lewis, H.A, Lu, F, Rodgers, L.A, Romero, R, Sauder, J.M, Smith, D, Tien, H, Wasserman, S.R, Zhao, X. | | Deposit date: | 2007-05-17 | | Release date: | 2007-10-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of a minimal human CFTR first nucleotide-binding domain as a monomer, head-to-tail homodimer, and pathogenic mutant.
Protein Eng.Des.Sel., 23, 2010
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7B9Y
 | | Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 64a | | Descriptor: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,24(28),25-hexaene-3,10-dione, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F. | | Deposit date: | 2020-12-15 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors.
J.Med.Chem., 64, 2021
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7BA0
 | | Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 63 | | Descriptor: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,28-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.2.2.113,17.04,9]nonacosa-1(26),13(29),14,16,24,27-hexaene-3,10-dione, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F. | | Deposit date: | 2020-12-15 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors.
J.Med.Chem., 64, 2021
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7B9Z
 | | Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 35-(E) | | Descriptor: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,20,24(28),25-heptaene-3,10-dione, Peptidyl-prolyl cis-trans isomerase FKBP5, isothiocyanate | | Authors: | Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F. | | Deposit date: | 2020-12-15 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors.
J.Med.Chem., 64, 2021
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4GQB
 | | Crystal Structure of the human PRMT5:MEP50 Complex | | Descriptor: | (2S,5S,6E)-2,5-diamino-6-[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxydihydrofuran-2(3H)-ylidene]hexanoic acid, Histone H4 peptide, Methylosome protein 50, ... | | Authors: | Antonysamy, S, Bonday, Z, Campbell, R, Doyle, B, Druzina, Z, Gheyi, T, Han, B, Jungheim, L.N, Qian, Y, Rauch, C, Russell, M, Sauder, J.M, Wasserman, S.R, Weichert, K, Willard, F.S, Zhang, A, Emtage, S. | | Deposit date: | 2012-08-22 | | Release date: | 2012-10-17 | | Last modified: | 2018-11-21 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal structure of the human PRMT5:MEP50 complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4I5I
 | | Crystal structure of the SIRT1 catalytic domain bound to NAD and an EX527 analog | | Descriptor: | (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Zhao, X, Allison, D, Condon, B, Zhang, F, Gheyi, T, Zhang, A, Ashok, S, Russell, M, Macewan, I, Qian, Y, Jamison, J.A, Luz, J.G. | | Deposit date: | 2012-11-28 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The 2.5 angstrom crystal structure of the SIRT1 catalytic domain bound to nicotinamide adenine dinucleotide (NAD+) and an indole (EX527 analogue) reveals a novel mechanism of histone deacetylase inhibition.
J.Med.Chem., 56, 2013
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2O34
 | | Crystal structure of protein DVU1097 from Desulfovibrio vulgaris Hildenborough, Pfam DUF375 | | Descriptor: | Hypothetical protein, SODIUM ION | | Authors: | Malashkevich, V.N, Toro, R, Sauder, J.M, Schwinn, K.D, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-11-30 | | Release date: | 2006-12-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of the Hypothetical Protein from Desulfovibrio vulgaris Hildenborough
To be Published
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2OX7
 | | Crystal structure of protein EF1440 from Enterococcus faecalis | | Descriptor: | Hypothetical protein | | Authors: | Malashkevich, V.N, Toro, R, Sauder, J.M, Schwinn, K.D, Thompson, D.A, Bain, K.T, Adams, J.M, Reyes, C, Lau, C, Gilmore, J, Rooney, I, Gheyi, T, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-02-19 | | Release date: | 2007-03-06 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (1.777 Å) | | Cite: | Crystal structure of the hypothetical protein from Enterococcus faecalis
To be Published
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2QKP
 | | Crystal structure of C-terminal domain of SMU_1151c from Streptococcus mutans | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Uncharacterized protein | | Authors: | Ramagopal, U.A, Toro, R, Gilmore, M, Wu, B, Bain, K, Gheyi, T, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-07-11 | | Release date: | 2007-07-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of C-terminal domain of SMU_1151c from Streptococcus mutans.
To be Published
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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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2QDD
 | | Crystal structure of a member of enolase superfamily from Roseovarius nubinhibens ISM | | Descriptor: | GLYCEROL, Mandelate racemase/muconate lactonizing enzyme | | Authors: | Patskovsky, Y, Bonanno, J, Sauder, J.M, Gilmore, J.M, Iizuka, M, Groshong, C, Gheyi, T, Sojitra, S, Wasserman, S.R, Koss, J, Gerlt, J, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-06-20 | | Release date: | 2007-06-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a member of enolase superfamily from Roseovarius nubinhibens ISM.
To be Published
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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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3BT5
 | | Crystal structure of DUF305 fragment from Deinococcus radiodurans | | Descriptor: | CHLORIDE ION, Uncharacterized protein DUF305 | | Authors: | Ramagopal, U.A, Patskovsky, Y, Rutter, M, Toro, R, Bain, K, Meyer, A.J, Powell, A, Gheyi, T, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-12-27 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structure of DUF305 fragment from Deinococcus radiodurans.
To be Published
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2NX2
 | | Crystal structure of protein ypsA from Bacillus subtilis, Pfam DUF1273 | | Descriptor: | Hypothetical protein ypsA | | Authors: | Ramagopal, U.A, Alvarado, J, Dickey, M, Reyes, C, Toro, R, Bain, K, Gheyi, T, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-11-16 | | Release date: | 2006-12-19 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of hypothetical protein ypsA from Bacillus subtilis.
To be Published
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2QSD
 | | Crystal structure of a protein Il1583 from Idiomarina loihiensis | | Descriptor: | GLYCEROL, Uncharacterized conserved protein | | Authors: | Patskovsky, Y, Bonanno, J, Sauder, J.M, Romero, R, Rutter, M, Koss, J, Mckenzie, C, Gheyi, T, Bain, K, Wasserman, S.R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-07-30 | | Release date: | 2007-08-14 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of a Protein Il1583 from Idiomarina loihiensis.
To be Published
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3BH1
 | | Crystal structure of protein DIP2346 from Corynebacterium diphtheriae | | Descriptor: | GLYCEROL, UPF0371 protein DIP2346 | | Authors: | Patskovsky, Y, Sridhar, V, Bonanno, J.B, Gilmore, M, Iizuka, M, Groshong, C, 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: | 2007-11-27 | | Release date: | 2007-12-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystal structure of protein DIP2346 from Corynebacterium diphtheriae.
To be Published
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2Q01
 | | Crystal structure of glucuronate isomerase from Caulobacter crescentus | | Descriptor: | POTASSIUM ION, Uronate isomerase | | Authors: | Patskovsky, Y, Bonanno, J, Sridhar, V, Sauder, J.M, Freeman, J, Powell, A, Koss, J, Groshong, C, Gheyi, T, Wasserman, S.R, Raushel, F, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-05-18 | | Release date: | 2007-05-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal Structure of Glucuronate Isomerase from Caulobacter crescentus.
To be Published
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2R9G
 | | Crystal structure of the C-terminal fragment of AAA ATPase from Enterococcus faecium | | Descriptor: | AAA ATPase, central region, ACETATE ION, ... | | Authors: | Ramagopal, U.A, Patskovsky, Y, Bonanno, J.B, Shi, W, Toro, R, Meyer, A.J, Rutter, M, Wu, B, Groshong, C, Gheyi, T, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-09-12 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal Structure of the C-Terminal Domain of AAA ATPase from Enterococcus faecium.
To be Published
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3CZB
 | | Crystal structure of putative transglycosylase from Caulobacter crescentus | | Descriptor: | Putative transglycosylase, SULFATE ION | | Authors: | Ramagopal, U.A, Chattopadhyay, K, Toro, R, Wasserman, S, Freeman, J, Logan, C, Bain, K, Gheyi, T, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-04-28 | | Release date: | 2008-06-10 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of putative transglycosylase from Caulobacter crescentus.
To be Published
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3BGE
 | | Crystal structure of the C-terminal fragment of AAA+ATPase from Haemophilus influenzae | | Descriptor: | Predicted ATPase, SULFATE ION | | Authors: | Ramagopal, U.A, Patskovsky, Y, Bonanno, J.B, Meyer, A.J, Toro, R, Freeman, J, Adams, J, Koss, J, Maletic, M, Gheyi, T, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-11-26 | | Release date: | 2008-01-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of the C-terminal fragment of AAA+ATPase from Haemophilus influenzae.
To be Published
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2OX4
 | | Crystal structure of putative dehydratase from Zymomonas mobilis ZM4 | | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Patskovsky, Y, Toro, R, Sauder, J.M, Freeman, J.C, Bain, K, Gheyi, T, Wasserman, S.R, Smith, D, Gerlt, J, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-02-19 | | Release date: | 2007-03-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Putative Dehydratase from Zymomonas Mobilis Zm4
To be Published
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2OZ3
 | | Crystal structure of L-Rhamnonate dehydratase from Azotobacter vinelandii | | Descriptor: | GLYCEROL, Mandelate racemase/muconate lactonizing enzyme, SODIUM ION | | Authors: | Patskovsky, Y, Toro, R, Sauder, J.M, Freeman, J.C, Bain, K, Gheyi, T, Wu, B, Wasserman, S.R, Smith, D, Gerlt, J, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-02-23 | | Release date: | 2007-03-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of L-Rhamnonate dehydratase from azotobacter vinelandii
To be Published
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