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7M0K
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HPK1 IN COMPLEX WITH COMPOUND 1
分子名称: 4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
著者Lesburg, C.A.
登録日2021-03-11
公開日2021-04-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds.
Acs Med.Chem.Lett., 12, 2021
7M0L
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HPK1 IN COMPLEX WITH COMPOUND 1
分子名称: 4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
著者Lesburg, C.A.
登録日2021-03-11
公開日2021-04-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds.
Acs Med.Chem.Lett., 12, 2021
4GOS
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BU of 4gos by Molmil
Crystal structure of human B7-H4 IgV-like domain
分子名称: V-set domain-containing T-cell activation inhibitor 1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Vigdorovich, V, Ramagopal, U, Bhosle, R, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
登録日2012-08-20
公開日2012-09-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structure and cancer immunotherapy of the B7 family member B7x.
Cell Rep, 9, 2014
7M0M
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HPK1 IN COMPLEX WITH COMPOUND 1
分子名称: 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
著者Lesburg, C.A.
登録日2021-03-11
公開日2021-04-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds.
Acs Med.Chem.Lett., 12, 2021
4P56
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CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM BORDETELLA BRONCHISEPTICA, TARGET EFI-510038 (BB2442), WITH BOUND (R)-MANDELATE and (S)-MANDELATE
分子名称: (R)-MANDELIC ACID, (S)-MANDELIC ACID, Putative extracellular solute-binding protein, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-03-14
公開日2014-05-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4PFR
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CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RHODOBACTER SPHAEROIDES (Rsph17029_3541, TARGET EFI-510203), APO OPEN PARTIALLY DISORDERED
分子名称: D-MALATE, TRAP dicarboxylate transporter, DctP subunit
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-04-30
公開日2014-05-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4P8B
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CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RALSTONIA EUTROPHA H16 (H16_A1328), TARGET EFI-510189, WITH BOUND (S)-2-hydroxy-2-methyl-3-oxobutanoate ((S)-2-Acetolactate)
分子名称: (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid, CHLORIDE ION, TRAP-type transporter, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-03-31
公開日2014-05-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4PBQ
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CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM HAEMOPHILUS INFLUENZAE RdAW (HICG_00826, TARGET EFI-510123) WITH BOUND L-GULONATE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, L-gulonate, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-04-13
公開日2014-05-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
1MT6
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BU of 1mt6 by Molmil
Structure of histone H3 K4-specific methyltransferase SET7/9 with AdoHcy
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, SET9
著者Jacobs, S.A, Harp, J.M, Devarakonda, S, Kim, Y, Rastinejad, F, Khorasanizadeh, S.
登録日2002-09-20
公開日2002-11-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The active site of the SET domain is constructed on a knot
Nat.Struct.Biol., 9, 2002
4YO5
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BU of 4yo5 by Molmil
EAEC T6SS TssA-Cterminus
分子名称: TssA
著者Durand, E, Zoued, A, Spinelli, S, Douzi, B, Brunet, Y.R, Bebeacua, C, Legrand, P, Journet, L, Mignot, T, Cambillau, C, Cascales, E.
登録日2015-03-11
公開日2016-02-17
最終更新日2017-06-14
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Priming and polymerization of a bacterial contractile tail structure.
Nature, 531, 2016
4PET
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BU of 4pet by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM COLWELLIA PSYCHRERYTHRAEA (CPS_0129, TARGET EFI-510097) WITH BOUND CALCIUM AND PYRUVATE
分子名称: CALCIUM ION, CHLORIDE ION, Extracellular solute-binding protein, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-04-24
公開日2014-05-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
5NPY
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BU of 5npy by Molmil
Crystal structure of Helicobacter pylori flagellar hook protein FlgE2
分子名称: Flagellar basal body protein, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM
著者Loconte, V, Zanotti, G, Kekez, I, Matkovic-Calogovic, D.
登録日2017-04-19
公開日2017-11-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.292 Å)
主引用文献Structural characterization of FlgE2 protein from Helicobacter pylori hook.
FEBS J., 284, 2017
6LVE
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BU of 6lve by Molmil
Structure of Dimethylformamidase, tetramer, E521A mutant
分子名称: N,N-dimethylformamidase large subunit, N,N-dimethylformamidase small subunit
著者Arya, C.A, Yadav, S, Fine, J, Casanal, A, Chopra, G, Ramanathan, G, Subramanian, R, Vinothkumar, K.R.
登録日2020-02-02
公開日2020-06-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A 2-Tyr-1-carboxylate Mononuclear Iron Center Forms the Active Site of a Paracoccus Dimethylformamidase.
Angew.Chem.Int.Ed.Engl., 59, 2020
3QQM
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BU of 3qqm by Molmil
Crystal structure of a Putative amino-acid aminotransferase (NP_104211.1) from Mesorhizobium loti at 2.30 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2011-02-15
公開日2011-03-02
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a Putative amino-acid aminotransferase (NP_104211.1) from Mesorhizobium loti at 2.30 A resolution
To be published
4ZZF
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BU of 4zzf by Molmil
Crystal structure of truncated FlgD (tetragonal form) from the human pathogen Helicobacter pylori
分子名称: Flagellar basal body rod modification protein
著者Pulic, I, Cendron, L, Salamina, M, Matkovic-Calogovic, D, Zanotti, G.
登録日2015-05-22
公開日2016-02-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1673 Å)
主引用文献Crystal structure of truncated FlgD from the human pathogen Helicobacter pylori.
J.Struct.Biol., 194, 2016
4PFB
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BU of 4pfb by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Fusobacterium nucleatun (FN1258, TARGET EFI-510120) with bound SN-glycerol-3-phosphate
分子名称: C4-dicarboxylate-binding protein, IMIDAZOLE, SN-GLYCEROL-3-PHOSPHATE, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-04-28
公開日2014-05-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
5VGB
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BU of 5vgb by Molmil
Crystal structure of NmeCas9 HNH domain bound to anti-CRISPR AcrIIC1
分子名称: Anti-CRISPR protein (AcrIIC1), CRISPR-associated endonuclease Cas9, GLYCEROL, ...
著者Harrington, L.B, Doxzen, K.W, Ma, E, Knott, G.J, Kranzusch, P.J, Doudna, J.A.
登録日2017-04-10
公開日2017-08-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献A Broad-Spectrum Inhibitor of CRISPR-Cas9.
Cell, 170, 2017
4PF6
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BU of 4pf6 by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM ROSEOBACTER DENITRIFICANS (RD1_0742, TARGET EFI-510239) WITH BOUND 3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID (KDO)
分子名称: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, C4-dicarboxylate-binding protein, SULFATE ION, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-04-28
公開日2014-05-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4PGN
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BU of 4pgn by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO ALASKENSIS G20 (Dde_0634, TARGET EFI-510120) WITH BOUND INDOLE PYRUVATE
分子名称: 1,2-ETHANEDIOL, 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, Extracellular solute-binding protein, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-05-02
公開日2014-05-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4PGP
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CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO ALASKENSIS G20 (Dde_0634, TARGET EFI-510120) WITH BOUND 3-INDOLE ACETIC ACID
分子名称: 1,2-ETHANEDIOL, 1H-INDOL-3-YLACETIC ACID, Extracellular solute-binding protein, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-05-02
公開日2014-06-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
7NC0
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BU of 7nc0 by Molmil
The structure of the humanised A33 Fab C226S variant, an immunotherapy candidate for colorectal cancer
分子名称: A33 Fab heavy chain, A33 Fab light chain
著者Tang, J, Zhang, C, Dalby, P, Kozielski, F.
登録日2021-01-28
公開日2022-03-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structure of the humanised A33 Fab C226S variant, an immunotherapy candidate for colorectal cancer
To Be Published
7NFA
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BU of 7nfa by Molmil
The structure of the humanised A33 Fab C226S variant, an immunotherapy candidate for colorectal cancer
分子名称: A33 Fab heavy chain, A33 Fab light chain
著者Tang, J, Zhang, C, Dalby, P, Kozielski, F.
登録日2021-02-05
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of the humanised A33 Fab C226S variant, an immunotherapy candidate for colorectal cancer
To Be Published
4JXQ
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BU of 4jxq by Molmil
Crystal structure of a GNAT superfamily phosphinothricin acetyltransferase (Pat) from Sinorhizobium meliloti 1021
分子名称: 1,2-ETHANEDIOL, Acetyltransferase, CITRATE ANION, ...
著者Majorek, K.A, Cooper, D.R, Osinski, T, Ahmed, M, Stead, M, Hillerich, B, Seidel, R, Bonanno, J.B, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-03-28
公開日2013-05-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystal structure of a GNAT superfamily phosphinothricin acetyltransferase (Pat) from Sinorhizobium meliloti 1021
To be Published
7JVI
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Crystal structure of a beta-helix domain retrieved from capybara gut metagenome
分子名称: Beta-helix domain, CALCIUM ION
著者Martins, M.P, Genoroso, W.C, Domingues, M.N, Persinoti, G.F, Morais, M.A.B, Murakami, M.T.
登録日2020-08-21
公開日2021-09-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Gut microbiome of the largest living rodent harbors unprecedented enzymatic systems to degrade plant polysaccharides.
Nat Commun, 13, 2022
7JVH
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Crystal structure of a GH43_12 retrieved from capybara gut metagenome
分子名称: GLYCEROL, Glycoside Hydrolase Family 43_12
著者Cabral, L, Domingues, M.N, Martins, M.P, Persinoti, G.F, Morais, M.A.B, Murakami, M.T.
登録日2020-08-21
公開日2021-09-08
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Crystal structure of a GH43_12 retrieved from capybara gut metagenome
To Be Published

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