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6N4T
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BU of 6n4t by Molmil
Crystal structure of Matriptase1 in complex with a peptidomimetic benzothiazole
Descriptor: ETHANOL, GLUTATHIONE, MAGNESIUM ION, ...
Authors:Campobasso, N.
Deposit date:2018-11-20
Release date:2019-10-02
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Discovery and Development of TMPRSS6 Inhibitors Modulating Hepcidin Levels in Human Hepatocytes.
Cell Chem Biol, 26, 2019
7XGA
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BU of 7xga by Molmil
NMR strucutre of chimeric protein for model of PHD-Stella complex
Descriptor: Chimera of E3 ubiquitin-protein ligase UHRF1 and Developmental pluripotency-associated protein 3, ZINC ION
Authors:Kobayashi, N, Konuma, T, Arita, K.
Deposit date:2022-04-04
Release date:2022-12-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for the unique multifaceted interaction of DPPA3 with the UHRF1 PHD finger.
Nucleic Acids Res., 50, 2022
3NUY
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BU of 3nuy by Molmil
phosphoinositide-dependent kinase-1 (PDK1) with fragment17
Descriptor: GLYCEROL, PkB-like, SULFATE ION, ...
Authors:Campobasso, N, Ward, P.
Deposit date:2010-07-07
Release date:2011-05-25
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.
ACS Med Chem Lett, 1, 2010
3NUS
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BU of 3nus by Molmil
phosphoinositide-dependent kinase-1 (PDK1) with fragment8
Descriptor: 1H-indazol-3-amine, GLYCEROL, SULFATE ION, ...
Authors:Campobasso, N, Ward, P.
Deposit date:2010-07-07
Release date:2011-05-25
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.
ACS Med Chem Lett, 1, 2010
3NUU
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BU of 3nuu by Molmil
phosphoinositide-dependent kinase-1 (PDK1) with fragment11
Descriptor: 3,4-dihydroisoquinolin-1(2H)-one, GLYCEROL, PkB-like, ...
Authors:Campobasso, N, Ward, P.
Deposit date:2010-07-07
Release date:2011-05-25
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.9803 Å)
Cite:Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.
ACS Med Chem Lett, 1, 2010
3NUN
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BU of 3nun by Molmil
phosphoinositide-dependent kinase-1 (PDK1) with lead compound
Descriptor: 6-(2-aminopyrimidin-4-yl)-1H-indazol-3-amine, GLYCEROL, PkB-like, ...
Authors:Campobasso, N, Ward, P.
Deposit date:2010-07-07
Release date:2011-06-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery
TO BE PUBLISHED
5TX5
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BU of 5tx5 by Molmil
Rip1 Kinase ( flag 1-294, C34A, C127A, C233A, C240A) with GSK772
Descriptor: 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
Authors:Campobasso, N, Ward, P, Thrope, J.
Deposit date:2016-11-15
Release date:2017-07-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases.
J. Med. Chem., 60, 2017
3STR
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BU of 3str by Molmil
Strep Peptide Deformylase with a time dependent thiazolidine hydroxamic acid
Descriptor: (4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide, GLYCEROL, NICKEL (II) ION, ...
Authors:Campobasso, N, Ward, P.
Deposit date:2011-07-11
Release date:2011-07-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors.
Biochemistry, 50, 2011
3SW8
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BU of 3sw8 by Molmil
Strep Peptide Deformylase with a time dependent dichlorobenzamide-reverse hydroxamic acid
Descriptor: 2,3-dichloro-N-{2-[formyl(hydroxy)amino]ethyl}benzamide, NICKEL (II) ION, Peptide deformylase 3, ...
Authors:Campobasso, N, Smith, K.J.
Deposit date:2011-07-13
Release date:2011-07-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors.
Biochemistry, 50, 2011
3SVJ
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BU of 3svj by Molmil
Strep Peptide Deformylase with a time dependent thiazolidine amide
Descriptor: (4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-methyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, NICKEL (II) ION, ...
Authors:Campobasso, N, Ward, P.
Deposit date:2011-07-12
Release date:2011-07-27
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors.
Biochemistry, 50, 2011
7BWB
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BU of 7bwb by Molmil
Bombyx mori GH32 beta-fructofuranosidase BmSUC1
Descriptor: Beta-fructofuranosidase
Authors:Miyazaki, T, Oba, N.
Deposit date:2020-04-14
Release date:2020-11-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insight into the substrate specificity of Bombyx mori beta-fructofuranosidase belonging to the glycoside hydrolase family 32.
Insect Biochem.Mol.Biol., 127, 2020
7BWC
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BU of 7bwc by Molmil
Bombyx mori GH32 beta-fructofuranosidase BmSUC1 mutant D63A in complex with sucrose
Descriptor: Beta-fructofuranosidase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Miyazaki, T, Oba, N.
Deposit date:2020-04-14
Release date:2020-11-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insight into the substrate specificity of Bombyx mori beta-fructofuranosidase belonging to the glycoside hydrolase family 32.
Insect Biochem.Mol.Biol., 127, 2020
1J0F
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BU of 1j0f by Molmil
Solution Structure of the SH3 Domain Binding Glutamic Acid-rich Protein Like 3
Descriptor: SH3 domain-binding glutamic acid-rich-like protein 3
Authors:Miyamoto, K, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-11-12
Release date:2003-12-02
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution Structure of the SH3 Domain Binding Glutamic Acid-rich Protein Like 3
To be Published
1J0G
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BU of 1j0g by Molmil
Solution Structure of Mouse Hypothetical 9.1 kDa Protein, A Ubiquitin-like Fold
Descriptor: Hypothetical Protein 1810045K17
Authors:Zhao, C, Kigawa, T, Koshiba, S, Tochio, N, Kobayashi, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-11-13
Release date:2003-12-09
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution Structure of Mouse Hypothetical 9.1 kDa Protein, A Ubiquitin-like Fold
To be Published
7BWI
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BU of 7bwi by Molmil
Solution structure of recombinant APETx1
Descriptor: Kappa-actitoxin-Ael2a
Authors:Matsumura, K, Kobayashi, N, Kurita, J, Nishimura, Y, Yokogawa, M, Imai, S, Shimada, I, Osawa, M.
Deposit date:2020-04-14
Release date:2020-12-23
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Mechanism of hERG inhibition by gating-modifier toxin, APETx1, deduced by functional characterization.
Bmc Mol Cell Biol, 22, 2021
7VH9
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BU of 7vh9 by Molmil
Solution structure of the chimeric peptide of the first SURP domain of Human SF3A1 and the interacting region of SF1.
Descriptor: Splicing factor 3A subunit 1,Splicing factor 1
Authors:Muto, Y, Kuwasako, K, Takizawa, M, Kobayashi, N, Sakamoto, T.
Deposit date:2021-09-21
Release date:2022-09-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for the interaction between the first SURP domain of the SF3A1 subunit in U2 snRNP and the human splicing factor SF1.
Protein Sci., 31, 2022
4RS3
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BU of 4rs3 by Molmil
Crystal structure of carbohydrate transporter A0QYB3 from Mycobacterium smegmatis str. MC2 155, target EFI-510969, in complex with xylitol
Descriptor: ABC transporter, carbohydrate uptake transporter-2 (CUT2) family, periplasmic sugar-binding protein, ...
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-11-06
Release date:2014-11-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A General Strategy for the Discovery of Metabolic Pathways: d-Threitol, l-Threitol, and Erythritol Utilization in Mycobacterium smegmatis.
J.Am.Chem.Soc., 137, 2015
4RSM
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BU of 4rsm by Molmil
Crystal structure of carbohydrate transporter msmeg_3599 from mycobacterium smegmatis str. mc2 155, target efi-510970, in complex with d-threitol
Descriptor: D-Threitol, Periplasmic binding protein/LacI transcriptional regulator
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-11-08
Release date:2014-12-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A General Strategy for the Discovery of Metabolic Pathways: d-Threitol, l-Threitol, and Erythritol Utilization in Mycobacterium smegmatis.
J.Am.Chem.Soc., 137, 2015
7BV9
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BU of 7bv9 by Molmil
The NMR structure of the BEN domain from human NAC1
Descriptor: Nucleus accumbens-associated protein 1
Authors:Nagata, T, Kobayashi, N, Nakayama, N, Obayashi, E, Urano, T.
Deposit date:2020-04-09
Release date:2021-02-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Nucleus Accumbens-Associated Protein 1 Binds DNA Directly through the BEN Domain in a Sequence-Specific Manner.
Biomedicines, 8, 2020
6R5F
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BU of 6r5f by Molmil
Crystal structure of RIP1 kinase in complex with DHP77
Descriptor: Receptor-interacting serine/threonine-protein kinase 1, [(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
Authors:Thorpe, J.H, Campobasso, N, Harris, P.A.
Deposit date:2019-03-25
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase.
J.Med.Chem., 62, 2019
7DNS
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BU of 7dns by Molmil
Crystal structure of domain-swapped dimer of H5_Fold-0 Elsa; de novo designed protein with an asymmetric all-alpha topology
Descriptor: GLYCEROL, de novo designed protein
Authors:Suzuki, K, Kobayashi, N, Murata, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N.
Deposit date:2020-12-10
Release date:2021-07-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.327 Å)
Cite:Design of complicated all-alpha protein structures
Nat.Struct.Mol.Biol., 2024
5GVQ
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BU of 5gvq by Molmil
Solution structure of the first RRM domain of human spliceosomal protein SF3b49
Descriptor: Splicing factor 3B subunit 4
Authors:Kuwasako, K, Nameki, N, Tsuda, K, Takahashi, M, Sato, A, Tochio, N, Inoue, M, Terada, T, Kigawa, T, Kobayashi, N, Shirouzu, M, Ito, T, Sakamoto, T, Wakamatsu, K, Guntert, P, Takahashi, S, Yokoyama, S, Muto, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2016-09-06
Release date:2017-04-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the first RNA recognition motif domain of human spliceosomal protein SF3b49 and its mode of interaction with a SF3b145 fragment.
Protein Sci., 26, 2017
4N4U
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BU of 4n4u by Molmil
Crystal structure of ABC transporter solute binding protein BB0719 from Bordetella bronchiseptica RB50, TARGET EFI-510049
Descriptor: GLYCEROL, Putative ABC transporter periplasmic solute-binding protein
Authors:Patskovsky, Y, Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-10-08
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
8KCQ
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BU of 8kcq by Molmil
Solution structures of the N-terminal divergent caplonin homology (NN-CH) domains of human intraflagellar transport protein 54
Descriptor: TRAF3-interacting protein 1
Authors:Dang, W, Kuwasako, K, He, F, Takahashi, M, Tsuda, K, Nagata, T, Tanaka, A, Kobayashi, N, Kigawa, T, Guentert, P, Shirouzu, M, Yokoyama, S, Muto, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2023-08-08
Release date:2024-05-22
Method:SOLUTION NMR
Cite:1 H, 13 C, and 15 N resonance assignments and solution structure of the N-terminal divergent calponin homology (NN-CH) domain of human intraflagellar transport protein 54.
Biomol.Nmr Assign., 18, 2024
7X9U
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BU of 7x9u by Molmil
Type-II KH motif of human mitochondrial RbfA
Descriptor: Putative ribosome-binding factor A, mitochondrial
Authors:Kuwasako, K, Suzuki, S, Furue, M, Takizawa, M, Takahashi, M, Tsuda, K, Nagata, T, Watanabe, S, Tanaka, A, Kobayashi, N, Kigawa, T, Guntert, P, Shirouzu, M, Yokoyama, S, Muto, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2022-03-16
Release date:2023-01-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:1 H, 13 C, and 15 N resonance assignments and solution structures of the KH domain of human ribosome binding factor A, mtRbfA, involved in mitochondrial ribosome biogenesis.
Biomol.Nmr Assign., 16, 2022

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