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8E9F
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BU of 8e9f by Molmil
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)
Descriptor: 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
Authors:Rietz, T.A, Fesik, S.W.
Deposit date:2022-08-26
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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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BU of 7v2b by Molmil
Crystal Structure of VpsR display novel dimeric architecture and c-di-GMP binding: mechanistic implications in oligomerization, ATPase activity and DNA binding.
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, VpsR
Authors:Chakrabortty, T, Sen, U.
Deposit date:2021-08-08
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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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BU of 7v4e by Molmil
Crystal Structure of VpsR display novel dimeric architecture and c-di-GMP binding: mechanistic implications in oligomerization, ATPase activity and DNA binding.
Descriptor: 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
Authors:Chakrabortty, T, Sen, U.
Deposit date:2021-08-12
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (4 Å)
Cite: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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BU of 5vxv by Molmil
Peroxisomal membrane protein PEX15
Descriptor: Peroxisomal membrane protein PEX15
Authors:Gardner, B.M, Castanzo, D.T.
Deposit date:2017-05-24
Release date:2018-01-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The peroxisomal AAA-ATPase Pex1/Pex6 unfolds substrates by processive threading.
Nat Commun, 9, 2018
4WL9
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BU of 4wl9 by Molmil
Time Resolved Serial Femtosecond Crystallography Captures High Resolution Intermediates of PYP
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Tenboer, J, Schmidt, M.
Deposit date:2014-10-06
Release date:2014-12-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Time-resolved serial crystallography captures high-resolution intermediates of photoactive yellow protein.
Science, 346, 2014
5V68
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BU of 5v68 by Molmil
Crystal structure of cell division protein FtsZ from Mycobacterium tuberculosis bounded via the T9 loop
Descriptor: Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION
Authors:Lazo, E.O, Ojima, I, Chowdhury, S.R, Awasthi, D, Jakoncic, J.
Deposit date:2017-03-16
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Novel T9 loop conformation of filamenting temperature-sensitive mutant Z from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 75, 2019
6CHK
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BU of 6chk by Molmil
Crystal structure of LacI family transcriptional regulator from Lactobacillus casei, Target EFI-512911, with bound TRIS
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SODIUM ION, ...
Authors: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.
Deposit date:2018-02-22
Release date:2018-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Automatic recognition of ligands in electron density by machine learning.
Bioinformatics, 35, 2019
4HPS
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BU of 4hps by Molmil
Crystal Structure of a Pyrrolidone-carboxylate peptidase 1 (target ID NYSGRC-012831) from Xenorhabdus bovienii SS-2004 in space group P21
Descriptor: CHLORIDE ION, Pyrrolidone-carboxylate peptidase
Authors:Ghosh, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-10-24
Release date:2012-11-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Inositol 2-dehydrogenase, ...
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-10-15
Release date:2012-12-19
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a putative myo-inositoldehydrogenase from Sinorhizobium meliloti 1021 (Target PSI-012312)
to be published
4HKM
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BU of 4hkm by Molmil
Crystal Structure of an Anthranilate Phosphoribosyltransferase (target ID NYSGRC-016600) from Xanthomonas campestris
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Anthranilate phosphoribosyltransferase, GLYCEROL, ...
Authors:Ghosh, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-10-15
Release date:2012-10-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:Crystal Structure of an Anthranilate Phosphoribosyltransferase (target ID NYSGRC-016600) from Xanthomonas campestris
To be Published
4JWT
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BU of 4jwt by Molmil
Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Sulfurimonas denitrificans DSM 1251 (Target NYSGRC-029304 )
Descriptor: 1,2-ETHANEDIOL, ADENINE, Methylthioadenosine nucleosidase
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-03-27
Release date:2013-05-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Sulfurimonas denitrificans DSM 1251
To be Published
4JLQ
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BU of 4jlq by Molmil
Crystal structure of human Karyopherin-beta2 bound to the PY-NLS of Saccharomyces cerevisiae NAB2
Descriptor: Nuclear polyadenylated RNA-binding protein NAB2, Transportin-1
Authors: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)
Deposit date:2013-03-12
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.05 Å)
Cite: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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BU of 4hc8 by Molmil
CRYSTAL STRUCTURE OF PROBABLE ENOYL-CoA HYDRATASE ECHA3 (Rv0632c, NYSGRC-019494) from Mycobacterium Tuberculosis H37Rv
Descriptor: 1,2-ETHANEDIOL, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-09-28
Release date:2012-10-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, ADENINE, Adenosylhomocysteine nucleosidase, ...
Authors:Sampathkumar, P, Schramm, V.L, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-03-18
Release date:2013-04-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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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BU of 4kn5 by Molmil
Crystal structure of a putative methylthioadenosine nucleosidase from Weissella paramesenteroides ATCC 33313 (Target NYSGRC-029342 )
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Methylthioadenosine nucleosidase
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-05-08
Release date:2013-05-29
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-06-24
Release date:2013-07-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structure of a putative purine nucleoside phosphorylase from Vibrio fischeri ES114 (Target NYSGRC-029521)
to be published
4L0M
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BU of 4l0m by Molmil
Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Borrelia burgdorferi B31 bound to Adenine (Target NYSGRC-029268 )
Descriptor: ADENINE, putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-05-31
Release date:2013-08-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 2-amino-2-deoxy-alpha-D-galactopyranose, ABC transporter, binding protein
Authors: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)
Deposit date:2015-05-29
Release date:2015-06-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: Rhomboid protease glpG, propan-2-yl hydrogen (S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate
Authors:Xue, Y, Ha, Y.
Deposit date:2011-10-24
Release date:2012-06-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Conformational Change in Rhomboid Protease GlpG Induced by Inhibitor Binding to Its S' Subsites.
Biochemistry, 51, 2012
4E6P
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BU of 4e6p by Molmil
Crystal structure of a probable sorbitol dehydrogenase (Target PSI-012078) from Sinorhizobium meliloti 1021
Descriptor: 1,2-ETHANEDIOL, Probable sorbitol dehydrogenase (L-iditol 2-dehydrogenase), SODIUM ION
Authors:Kumar, P.R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-03-15
Release date:2012-04-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Crystal structure of a probable sorbitol dehydrogenase from Sinorhizobium meliloti 1021
to be published
4G8S
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BU of 4g8s by Molmil
Crystal Structure Of a Putative Nitroreductase from Geobacter sulfurreducens PCA (Target PSI-013445)
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, Nitroreductase family protein
Authors:Kumar, P.R, Bhosle, R, Hillerich, B, Seidel, R, Toro, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-07-23
Release date:2012-08-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: CITRIC ACID, Uncharacterized protein
Authors: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)
Deposit date:2014-12-28
Release date:2015-01-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite: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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BU of 4xgj by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, APO structure, domain swapped dimer
Descriptor: Uncharacterized protein
Authors: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)
Deposit date:2014-12-30
Release date:2015-02-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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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BU of 4xfm by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, with bound D-threonate, domain swapped dimer
Descriptor: THREONATE ION, Uncharacterized protein
Authors: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)
Deposit date:2014-12-27
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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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BU of 4xg0 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 C2221
Descriptor: CHLORIDE ION, CITRIC ACID, SULFATE ION, ...
Authors: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)
Deposit date:2014-12-30
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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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