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8E9F
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WD repeat-containing protein 5 complexed with 4-(7-((1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)-6-ethyl-N-methylquinoline-8-carboxamide (compound 10)
分子名称: 6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide, BENZAMIDINE, WD repeat-containing protein 5
著者Rietz, T.A, Fesik, S.W.
登録日2022-08-26
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-based discovery of potent WD repeat domain 5 inhibitors that demonstrate efficacy and safety in preclinical animal models.
Proc.Natl.Acad.Sci.USA, 120, 2023
7V2B
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Crystal Structure of VpsR display novel dimeric architecture and c-di-GMP binding: mechanistic implications in oligomerization, ATPase activity and DNA binding.
分子名称: GUANOSINE-5'-TRIPHOSPHATE, VpsR
著者Chakrabortty, T, Sen, U.
登録日2021-08-08
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal Structure of VpsR Revealed Novel Dimeric Architecture and c-di-GMP Binding Site: Mechanistic Implications in Oligomerization, ATPase Activity and DNA Binding.
J.Mol.Biol., 434, 2022
7V4E
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Crystal Structure of VpsR display novel dimeric architecture and c-di-GMP binding: mechanistic implications in oligomerization, ATPase activity and DNA binding.
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), SULFATE ION, VpsR
著者Chakrabortty, T, Sen, U.
登録日2021-08-12
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Crystal Structure of VpsR Revealed Novel Dimeric Architecture and c-di-GMP Binding Site: Mechanistic Implications in Oligomerization, ATPase Activity and DNA Binding.
J.Mol.Biol., 434, 2022
5VXV
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Peroxisomal membrane protein PEX15
分子名称: Peroxisomal membrane protein PEX15
著者Gardner, B.M, Castanzo, D.T.
登録日2017-05-24
公開日2018-01-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The peroxisomal AAA-ATPase Pex1/Pex6 unfolds substrates by processive threading.
Nat Commun, 9, 2018
4WL9
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Time Resolved Serial Femtosecond Crystallography Captures High Resolution Intermediates of PYP
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Tenboer, J, Schmidt, M.
登録日2014-10-06
公開日2014-12-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Time-resolved serial crystallography captures high-resolution intermediates of photoactive yellow protein.
Science, 346, 2014
5V68
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Crystal structure of cell division protein FtsZ from Mycobacterium tuberculosis bounded via the T9 loop
分子名称: Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION
著者Lazo, E.O, Ojima, I, Chowdhury, S.R, Awasthi, D, Jakoncic, J.
登録日2017-03-16
公開日2017-03-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.46 Å)
主引用文献Novel T9 loop conformation of filamenting temperature-sensitive mutant Z from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 75, 2019
6CHK
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Crystal structure of LacI family transcriptional regulator from Lactobacillus casei, Target EFI-512911, with bound TRIS
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SODIUM ION, ...
著者Patskovsky, Y, Toro, R, Shabalin, I.G, Kowiel, M, Porebski, P.J, Minor, W, Jaskolski, M, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative, E.F.I.
登録日2018-02-22
公開日2018-03-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Automatic recognition of ligands in electron density by machine learning.
Bioinformatics, 35, 2019
4HPS
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Crystal Structure of a Pyrrolidone-carboxylate peptidase 1 (target ID NYSGRC-012831) from Xenorhabdus bovienii SS-2004 in space group P21
分子名称: CHLORIDE ION, Pyrrolidone-carboxylate peptidase
著者Ghosh, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-10-24
公開日2012-11-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of a Pyrrolidone-carboxylate peptidase 1 (target ID NYSGRC-012831) from Xenorhabdus bovienii SS-2004 in space group P21
To be Published
4HKT
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BU of 4hkt by Molmil
Crystal structure of a putative myo-inositol dehydrogenase from Sinorhizobium meliloti 1021 (Target PSI-012312)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Inositol 2-dehydrogenase, ...
著者Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-10-15
公開日2012-12-19
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a putative myo-inositoldehydrogenase from Sinorhizobium meliloti 1021 (Target PSI-012312)
to be published
4HKM
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Crystal Structure of an Anthranilate Phosphoribosyltransferase (target ID NYSGRC-016600) from Xanthomonas campestris
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Anthranilate phosphoribosyltransferase, GLYCEROL, ...
著者Ghosh, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-10-15
公開日2012-10-31
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献Crystal Structure of an Anthranilate Phosphoribosyltransferase (target ID NYSGRC-016600) from Xanthomonas campestris
To be Published
4JWT
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Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Sulfurimonas denitrificans DSM 1251 (Target NYSGRC-029304 )
分子名称: 1,2-ETHANEDIOL, ADENINE, Methylthioadenosine nucleosidase
著者Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-03-27
公開日2013-05-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Sulfurimonas denitrificans DSM 1251
To be Published
4JLQ
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Crystal structure of human Karyopherin-beta2 bound to the PY-NLS of Saccharomyces cerevisiae NAB2
分子名称: Nuclear polyadenylated RNA-binding protein NAB2, Transportin-1
著者Sampathkumar, P, Gizzi, A, Rout, M.P, Chook, Y.M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Nucleocytoplasmic Transport: a Target for Cellular Control (NPCXstals)
登録日2013-03-12
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Crystal structure of human Karyopherin beta 2 bound to the PY-NLS of Saccharomyces cerevisiae Nab2.
J.Struct.Funct.Genom., 14, 2013
4HC8
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CRYSTAL STRUCTURE OF PROBABLE ENOYL-CoA HYDRATASE ECHA3 (Rv0632c, NYSGRC-019494) from Mycobacterium Tuberculosis H37Rv
分子名称: 1,2-ETHANEDIOL, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION
著者Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-09-28
公開日2012-10-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Crystal structure of probable enoyl-CoA hydratase ECHA3 (Rv0632c, NYSGRC-019494) from Mycobacterium Tuberculosis H37Rv
To be Published
4JOS
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BU of 4jos by Molmil
Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335)
分子名称: 1,2-ETHANEDIOL, ADENINE, Adenosylhomocysteine nucleosidase, ...
著者Sampathkumar, P, Schramm, V.L, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-03-18
公開日2013-04-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335)
to be published
4KN5
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Crystal structure of a putative methylthioadenosine nucleosidase from Weissella paramesenteroides ATCC 33313 (Target NYSGRC-029342 )
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Methylthioadenosine nucleosidase
著者Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-05-08
公開日2013-05-29
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a putative methylthioadenosine nucleosidase from Weissella paramesenteroides ATCC 33313 (Target NYSGRC-029342)
to be published
4LDN
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BU of 4ldn by Molmil
Crystal structure of a putative purine nucleoside phosphorylase from Vibrio fischeri ES114 (Target NYSGRC-029521)
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type
著者Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-06-24
公開日2013-07-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal structure of a putative purine nucleoside phosphorylase from Vibrio fischeri ES114 (Target NYSGRC-029521)
to be published
4L0M
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Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Borrelia burgdorferi B31 bound to Adenine (Target NYSGRC-029268 )
分子名称: ADENINE, putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
著者Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-05-31
公開日2013-08-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Borrelia burgdorferi B31 bound to Adenine (Target NYSGRC-029268 )
to be published
5BR1
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BU of 5br1 by Molmil
CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS S4 (Avi_5305, TARGET EFI-511224) WITH BOUND ALPHA-D-GALACTOSAMINE
分子名称: 2-amino-2-deoxy-alpha-D-galactopyranose, ABC transporter, binding protein
著者Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2015-05-29
公開日2015-06-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of an ABC transporter solute-binding protein specific for the amino sugars glucosamine and galactosamine.
Acta Crystallogr.,Sect.F, 72, 2016
3UBB
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BU of 3ubb by Molmil
The crystal structure of GlpG in complex with a phosphonofluoridate inhibitor
分子名称: Rhomboid protease glpG, propan-2-yl hydrogen (S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate
著者Xue, Y, Ha, Y.
登録日2011-10-24
公開日2012-06-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Conformational Change in Rhomboid Protease GlpG Induced by Inhibitor Binding to Its S' Subsites.
Biochemistry, 51, 2012
4E6P
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Crystal structure of a probable sorbitol dehydrogenase (Target PSI-012078) from Sinorhizobium meliloti 1021
分子名称: 1,2-ETHANEDIOL, Probable sorbitol dehydrogenase (L-iditol 2-dehydrogenase), SODIUM ION
著者Kumar, P.R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-03-15
公開日2012-04-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Crystal structure of a probable sorbitol dehydrogenase from Sinorhizobium meliloti 1021
to be published
4G8S
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Crystal Structure Of a Putative Nitroreductase from Geobacter sulfurreducens PCA (Target PSI-013445)
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, Nitroreductase family protein
著者Kumar, P.R, Bhosle, R, Hillerich, B, Seidel, R, Toro, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-07-23
公開日2012-08-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a nitroreductase from Geobacter sulfurreducens PCA
to be published
4XFR
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BU of 4xfr by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Bordetella bronchiseptica (BB3215), Target EFI-511620, with bound citrate, domain swapped dimer, space group P6522
分子名称: CITRIC ACID, Uncharacterized protein
著者Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-28
公開日2015-01-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
4XGJ
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Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, APO structure, domain swapped dimer
分子名称: Uncharacterized protein
著者Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-30
公開日2015-02-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
4XFM
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Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, with bound D-threonate, domain swapped dimer
分子名称: THREONATE ION, Uncharacterized protein
著者Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-27
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
4XG0
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Crystal structure of a domain of unknown function (DUF1537) from Bordetella bronchiseptica (BB3215), Target EFI-511620, with bound citrate, domain swapped dimer, space group C2221
分子名称: CHLORIDE ION, CITRIC ACID, SULFATE ION, ...
著者Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-30
公開日2015-03-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016

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