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2NW9
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Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferrous heme and 6-fluoro-tryptophan. Northeast Structural Genomics Target XcR13
分子名称: 6-FLUORO-L-TRYPTOPHAN, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Forouhar, F, Anderson, J.L.R, Mowat, C.G, Bruckmann, C, Thackray, S.J, Seetharaman, J, Ho, C.K, Ma, L.C, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-11-14
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
6CNM
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Cryo-EM structure of the human SK4/calmodulin channel complex
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Calmodulin-1, DODECYL-BETA-D-MALTOSIDE, ...
著者Lee, C.H, MacKinnon, R.
登録日2018-03-08
公開日2018-05-02
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Activation mechanism of a human SK-calmodulin channel complex elucidated by cryo-EM structures.
Science, 360, 2018
2VNM
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Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)benzamide
分子名称: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
著者Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, East, P, Hawkins, J, Howes, C, Hussain, I, Jeffrey, P, Maile, G, Matico, R, Mosley, J, Naylor, A, OBrien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2008-02-05
公開日2008-05-20
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Second Generation of Hydroxyethylamine Bace-1 Inhibitors: Optimizing Potency and Oral Bioavailability.
J.Med.Chem., 51, 2008
2W39
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Glc(beta-1-3)Glc disaccharide in -1 and -2 sites of Laminarinase 16A from Phanerochaete chrysosporium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-glucono-1,5-lactone, PUTATIVE LAMINARINASE, ...
著者Vasur, J, Kawai, R, Andersson, E, Igarashi, K, Sandgren, M, Samejima, M, Stahlberg, J.
登録日2008-11-07
公開日2009-07-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献X-Ray Crystal Structures of Phanerochaete Chrysosporium Laminarinase 16A in Complex with Products from Lichenin and Laminarin Hydrolysis
FEBS J., 276, 2009
7OP6
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Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured cyclophellitol aziridine
分子名称: (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, BROMIDE ION, ...
著者McGregor, N.G.S, Beenakker, T.J.M, Kuo, C, Wong, C, Offen, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H.S, Davies, G.J.
登録日2021-05-29
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
6BRH
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The SAM domain of mouse SAMHD1 is critical for its activation and regulation
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION
著者Buzovetsky, O, Tang, C, Knecht, K.M, Antonucci, J.M, Wu, L, Ji, X, Xiong, Y.
登録日2017-11-30
公開日2018-02-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献The SAM domain of mouse SAMHD1 is critical for its activation and regulation.
Nat Commun, 9, 2018
6BRK
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The SAM domain of mouse SAMHD1 is critical for its activation and regulation
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION
著者Buzovetsky, O, Tang, C, Knecht, K.M, Antonucci, J.M, Wu, L, Ji, X, Xiong, Y.
登録日2017-11-30
公開日2018-02-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The SAM domain of mouse SAMHD1 is critical for its activation and regulation.
Nat Commun, 9, 2018
6U32
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Crystal structure of HaloTag bound to tetramethylrhodamine-HaloTag ligand
分子名称: 9-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium, CHLORIDE ION, HaloTag
著者Berro, A.J, Schreiter, E.R.
登録日2019-08-21
公開日2020-09-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The HaloTag as a general scaffold for far-red tunable chemigenetic indicators.
Nat.Chem.Biol., 17, 2021
2XGB
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BU of 2xgb by Molmil
Crystal structure of Barley Beta-Amylase complexed with 2,3- epoxypropyl-alpha-D-glucopyranoside
分子名称: (2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside, 1,2-ETHANEDIOL, BETA-AMYLASE
著者Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
登録日2010-06-02
公開日2010-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Chemical Genetics and Cereal Starch Metabolism: Structural Basis of the Non-Covalent and Covalent Inhibition of Barley Beta-Amylase.
Mol.Biosyst., 7, 2011
6GTM
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BU of 6gtm by Molmil
Crystal structure of SmbA in complex with ppGpp.
分子名称: GUANOSINE-5',3'-TETRAPHOSPHATE, SmbA
著者Dubey, B.N, Schirmer, T.
登録日2018-06-18
公開日2019-07-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Reciprocal growth control by competitive binding of nucleotide second messengers to a metabolic switch in Caulobacter crescentus
Nat Microbiol, 2021
3IVA
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BU of 3iva by Molmil
Structure of the B12-dependent Methionine Synthase (MetH) C-teminal half with AdoHcy bound
分子名称: COBALAMIN, Methionine synthase, NITRATE ION, ...
著者Pattridge, K.A, Koutmos, M, Smith, J.L.
登録日2009-08-31
公開日2009-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insights into the reactivation of cobalamin-dependent methionine synthase.
Proc.Natl.Acad.Sci.USA, 106, 2009
7OQ1
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BU of 7oq1 by Molmil
NaK S-ELM mutant with Na+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-06-02
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OQ2
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BU of 7oq2 by Molmil
NaK S-DI mutant soaked in Na+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, POTASSIUM ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-06-02
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7P26
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Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT4631_S1_15)
分子名称: CALCIUM ION, POLYETHYLENE GLYCOL (N=34), Putative arylsulfatase, ...
著者Cartmell, A.
登録日2021-07-04
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
2BV4
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BU of 2bv4 by Molmil
1.0A Structure of Chromobacterium Violaceum Lectin in Complex with alpha-methyl-mannoside
分子名称: CALCIUM ION, LECTIN CV-IIL, methyl alpha-D-mannopyranoside
著者Pokorna, M, Cioci, G, Perret, S, Rebuffet, E, Adam, J, Gilboa-Garber, N, Mitchell, E.P, Imberty, A, Wimmerova, M.
登録日2005-06-22
公開日2006-05-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Unusual Entropy Driven Affinity of Chromobacterium Violaceum Lectin Cv-Iil Towards Fucose and Mannose
Biochemistry, 45, 2006
2NW7
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Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferric heme. Northeast Structural Genomics Target XcR13
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase
著者Forouhar, F, Anderson, J.L.R, Mowat, C.G, Hussain, A, Bruckmann, C, Thackray, S.J, Seetharaman, J, Tucker, T, Ho, C.K, Ma, L.C, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Chapman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-11-14
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
7OOR
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NaK C-DI mutant with Na+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-05-28
公開日2022-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OPH
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NaK S-DI mutant with Na+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-05-31
公開日2022-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OOU
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NaK C-DI mutant with Li+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-05-28
公開日2022-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
2OAW
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BU of 2oaw by Molmil
Structure of SHH variant of "Bergerac" chimera of spectrin SH3
分子名称: CHLORIDE ION, Spectrin alpha chain, brain
著者Gabdoulkhakov, A.G, Gushchina, L.V, Nikulin, A.D, Nikonov, S.V, Viguera, A.R, Serrano, L, Filimonov, V.V.
登録日2006-12-18
公開日2008-04-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and thermodynamic studies of Bergerac-SH3 chimeras.
Biophys.Chem., 139, 2009
5H02
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BU of 5h02 by Molmil
Crystal structure of Methanohalophilus portucalensis glycine sarcosine N-methyltransferase tetramutant (H21G, E23T, E24N, L28S)
分子名称: Glycine sarcosine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, TRIMETHYL GLYCINE
著者Lee, Y.R, Lin, T.S, Lai, S.J, Liu, M.S, Lai, M.C, Chan, N.L.
登録日2016-10-02
公開日2016-11-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.776 Å)
主引用文献Structural Analysis of Glycine Sarcosine N-methyltransferase from Methanohalophilus portucalensis Reveals Mechanistic Insights into the Regulation of Methyltransferase Activity.
Sci Rep, 6, 2016
6QJS
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BU of 6qjs by Molmil
Crystal structure of a DNA dodecamer containing a tetramethylpiperidinoxyl (nitroxide) spin label
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(P*GP*CP*AP*AP*AP*TP*TP*(S6M)P*GP*CP*G)-3')
著者Hardwick, J.S, Haugland, M.M, Ptchelkine, D, Brown, T, Anderson, E.E.
登録日2019-01-24
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献2'-Alkynyl spin-labelling is a minimally perturbing tool for DNA structural analysis.
Nucleic Acids Res., 48, 2020
2NW8
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Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferrous heme and tryptophan. Northeast Structural Genomics Target XcR13.
分子名称: MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, ...
著者Forouhar, F, Anderson, J.L.R, Mowat, C.G, Bruckmann, C, Thackray, S.J, Seetharaman, J, Ho, C.K, Ma, L.C, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-11-14
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3SCW
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BU of 3scw by Molmil
Crystal Structure of Rice BGlu1 E386G/Y341A Mutant Complexed with Cellotetraose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ...
著者Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R.
登録日2011-06-08
公開日2012-02-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases
to be published
6QIP
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Ternary complex of FcRn ectodomain, FcRn binding optimised human serum albumin and the albumin-biniding side chain of the human growth hormone derivative somapacitan
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-MERCAPTOETHANOL, Beta-2-microglobulin, ...
著者Johansson, E.
登録日2019-01-21
公開日2020-02-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Identification of Binding Sites on Human Serum Albumin for Somapacitan, a Long-Acting Growth Hormone Derivative.
Biochemistry, 59, 2020

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