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7AWX
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Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 55
分子名称: Macrocyclic SAFit analogue 55, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F.
登録日2020-11-09
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors.
J.Med.Chem., 64, 2021
2PZF
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BU of 2pzf by Molmil
Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer with delta F508
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
著者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.
登録日2007-05-18
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
2PZG
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BU of 2pzg by Molmil
Minimal human CFTR first nucleotide binding domain as a monomer
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, GLYCEROL, ...
著者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.
登録日2007-05-18
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
2PZE
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BU of 2pze by Molmil
Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
著者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.
登録日2007-05-17
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
7B9Y
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BU of 7b9y by Molmil
Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 64a
分子名称: 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
著者Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F.
登録日2020-12-15
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors.
J.Med.Chem., 64, 2021
7BA0
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Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 63
分子名称: 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
著者Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F.
登録日2020-12-15
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors.
J.Med.Chem., 64, 2021
7B9Z
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Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 35-(E)
分子名称: 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
著者Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F.
登録日2020-12-15
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors.
J.Med.Chem., 64, 2021
4GQB
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Crystal Structure of the human PRMT5:MEP50 Complex
分子名称: (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, ...
著者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.
登録日2012-08-22
公開日2012-10-17
最終更新日2018-11-21
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal structure of the human PRMT5:MEP50 complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
4I5I
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BU of 4i5i by Molmil
Crystal structure of the SIRT1 catalytic domain bound to NAD and an EX527 analog
分子名称: (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者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.
登録日2012-11-28
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
2O34
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BU of 2o34 by Molmil
Crystal structure of protein DVU1097 from Desulfovibrio vulgaris Hildenborough, Pfam DUF375
分子名称: Hypothetical protein, SODIUM ION
著者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)
登録日2006-11-30
公開日2006-12-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of the Hypothetical Protein from Desulfovibrio vulgaris Hildenborough
To be Published
2OX7
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BU of 2ox7 by Molmil
Crystal structure of protein EF1440 from Enterococcus faecalis
分子名称: Hypothetical protein
著者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)
登録日2007-02-19
公開日2007-03-06
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (1.777 Å)
主引用文献Crystal structure of the hypothetical protein from Enterococcus faecalis
To be Published
2QKP
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BU of 2qkp by Molmil
Crystal structure of C-terminal domain of SMU_1151c from Streptococcus mutans
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Uncharacterized protein
著者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)
登録日2007-07-11
公開日2007-07-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of C-terminal domain of SMU_1151c from Streptococcus mutans.
To be Published
2QUP
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BU of 2qup by Molmil
Crystal structure of uncharacterized protein BH1478 from Bacillus halodurans
分子名称: BH1478 protein, GLYCEROL
著者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)
登録日2007-08-06
公開日2007-08-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Uncharacterized Protein Bh1478 from Bacillus Halodurans.
To be Published
2QDD
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BU of 2qdd by Molmil
Crystal structure of a member of enolase superfamily from Roseovarius nubinhibens ISM
分子名称: GLYCEROL, Mandelate racemase/muconate lactonizing enzyme
著者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)
登録日2007-06-20
公開日2007-06-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a member of enolase superfamily from Roseovarius nubinhibens ISM.
To be Published
3BMA
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BU of 3bma by Molmil
Crystal structure of D-alanyl-lipoteichoic acid synthetase from Streptococcus pneumoniae R6
分子名称: D-alanyl-lipoteichoic acid synthetase, GLYCEROL, SULFATE ION
著者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)
登録日2007-12-12
公開日2007-12-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Crystal Structure of probable D-Alanyl-Lipoteichoic Acid Synthetase from Streptococcus pneumoniae.
To be Published
3BT5
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BU of 3bt5 by Molmil
Crystal structure of DUF305 fragment from Deinococcus radiodurans
分子名称: CHLORIDE ION, Uncharacterized protein DUF305
著者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)
登録日2007-12-27
公開日2008-01-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structure of DUF305 fragment from Deinococcus radiodurans.
To be Published
2NX2
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BU of 2nx2 by Molmil
Crystal structure of protein ypsA from Bacillus subtilis, Pfam DUF1273
分子名称: Hypothetical protein ypsA
著者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)
登録日2006-11-16
公開日2006-12-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of hypothetical protein ypsA from Bacillus subtilis.
To be Published
2QSD
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Crystal structure of a protein Il1583 from Idiomarina loihiensis
分子名称: GLYCEROL, Uncharacterized conserved protein
著者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)
登録日2007-07-30
公開日2007-08-14
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of a Protein Il1583 from Idiomarina loihiensis.
To be Published
3BH1
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Crystal structure of protein DIP2346 from Corynebacterium diphtheriae
分子名称: GLYCEROL, UPF0371 protein DIP2346
著者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)
登録日2007-11-27
公開日2007-12-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Crystal structure of protein DIP2346 from Corynebacterium diphtheriae.
To be Published
2Q01
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Crystal structure of glucuronate isomerase from Caulobacter crescentus
分子名称: POTASSIUM ION, Uronate isomerase
著者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)
登録日2007-05-18
公開日2007-05-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal Structure of Glucuronate Isomerase from Caulobacter crescentus.
To be Published
2R9G
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BU of 2r9g by Molmil
Crystal structure of the C-terminal fragment of AAA ATPase from Enterococcus faecium
分子名称: AAA ATPase, central region, ACETATE ION, ...
著者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)
登録日2007-09-12
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal Structure of the C-Terminal Domain of AAA ATPase from Enterococcus faecium.
To be Published
3CZB
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BU of 3czb by Molmil
Crystal structure of putative transglycosylase from Caulobacter crescentus
分子名称: Putative transglycosylase, SULFATE ION
著者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)
登録日2008-04-28
公開日2008-06-10
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of putative transglycosylase from Caulobacter crescentus.
To be Published
3BGE
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BU of 3bge by Molmil
Crystal structure of the C-terminal fragment of AAA+ATPase from Haemophilus influenzae
分子名称: Predicted ATPase, SULFATE ION
著者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)
登録日2007-11-26
公開日2008-01-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of the C-terminal fragment of AAA+ATPase from Haemophilus influenzae.
To be Published
2OX4
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Crystal structure of putative dehydratase from Zymomonas mobilis ZM4
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者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)
登録日2007-02-19
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Putative Dehydratase from Zymomonas Mobilis Zm4
To be Published
2OZ3
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Crystal structure of L-Rhamnonate dehydratase from Azotobacter vinelandii
分子名称: GLYCEROL, Mandelate racemase/muconate lactonizing enzyme, SODIUM ION
著者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)
登録日2007-02-23
公開日2007-03-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of L-Rhamnonate dehydratase from azotobacter vinelandii
To be Published

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