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6QKK
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BU of 6qkk by Molmil
Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (1)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide, ...
著者Davis, S, Bueno, R.V, Dawson, A, Hunter, W.N.
登録日2019-01-29
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors
Acta Crystallogr.,Sect.D, 78, 2022
2HG6
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BU of 2hg6 by Molmil
Solution NMR Structure of Protein PA1123 from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium Target PaT4; Ontario Centre for Structural Proteomics Target PA1123.
分子名称: Hypothetical protein
著者Lemak, A, Srisailam, S, Yee, A, Lukin, J.A, Orekhov, V.Y, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
登録日2006-06-26
公開日2006-07-25
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution Structure of a hypothetical protein from Pseudomonas aeruginosa (Northeast Structural Genomics Consortium Target: PaT4; Ontario Centre for Structural Proteomics Target: PA1123)
To be Published
3E16
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BU of 3e16 by Molmil
X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Prostasin, ...
著者Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
登録日2008-08-01
公開日2008-09-09
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design.
Bioorg.Med.Chem.Lett., 18, 2008
6GOO
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BU of 6goo by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with Perfluorooctanoic acid (PFOA). Crystallized in AmSO4
分子名称: Transthyretin, pentadecafluorooctanoic acid
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-06-01
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
3DYG
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BU of 3dyg by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ACETATE ION, ...
著者Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E.
登録日2008-07-27
公開日2009-05-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
2EG3
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BU of 2eg3 by Molmil
Crystal Structure of Probable Thiosulfate Sulfurtransferase
分子名称: Probable thiosulfate sulfurtransferase, SULFATE ION, ZINC ION
著者Sakai, H, Ebihara, A, Kitamura, Y, Shinkai, A, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-27
公開日2008-03-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Probable Thiosulfate Sulfurtransferase
To be Published
4HYJ
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BU of 4hyj by Molmil
Crystal structure of Exiguobacterium sibiricum rhodopsin
分子名称: EICOSANE, RETINAL, Rhodopsin
著者Gushchin, I, Chervakov, P, Kuzmichev, P, Popov, A, Round, E, Borshchevskiy, V, Dolgikh, D, Kirpichnikov, M, Petrovskaya, L, Chupin, V, Arseniev, A, Gordeliy, V.
登録日2012-11-13
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into the proton pumping by unusual proteorhodopsin from nonmarine bacteria.
Proc.Natl.Acad.Sci.USA, 110, 2013
6QJC
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BU of 6qjc by Molmil
Dimethyl disulfide inhibited sulfur oxygenase reductase
分子名称: FE (III) ION, Sulfur oxygenase/reductase
著者Frazao, C, Klezin, A, Poell, U.
登録日2019-01-24
公開日2020-02-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Multiple sulfane modifications in active-site cysteine thiols of two sulfur oxygenase reductases and analysis of substrate/product channels
To Be Published
6QKB
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BU of 6qkb by Molmil
Crystal structure of the beta-hydroxyaspartate aldolase of Paracoccus denitrificans
分子名称: D-3-hydroxyaspartate aldolase, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE
著者Zarzycki, J, Schada von Borzyskowski, L, Gilardet, A, Erb, T.J.
登録日2019-01-28
公開日2019-08-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Marine Proteobacteria metabolize glycolate via the beta-hydroxyaspartate cycle.
Nature, 575, 2019
6QL1
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BU of 6ql1 by Molmil
Crystal structure of chimeric carbonic anhydrase VI with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide
分子名称: 1,2-ETHANEDIOL, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, BICINE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2019-01-31
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors.
Sci Rep, 9, 2019
6Q2Z
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BU of 6q2z by Molmil
NMR solution structure of the HVO_2922 protein from Haloferax volcanii
分子名称: UPF0339 family protein
著者Kubatova, N, Jonker, H.R.A, Saxena, K, Richter, C, Marchfelder, A, Schwalbe, H.
登録日2018-12-03
公開日2019-06-12
最終更新日2024-07-03
実験手法SOLUTION NMR
主引用文献Solution Structure and Dynamics of the Small Protein HVO_2922 from Haloferax volcanii.
Chembiochem, 21, 2020
1CJS
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BU of 1cjs by Molmil
CRYSTAL STRUCTURE OF RIBOSOMAL PROTEIN L1 FROM METHANOCOCCUS JANNASCHII
分子名称: 50S RIBOSOMAL PROTEIN L1P
著者Nevskaya, N, Tishchenko, S, Fedorov, R, Al-Karadaghi, S, Liljas, A, Kraft, A, Piendl, W, Garber, M, Nikonov, S.
登録日1999-04-19
公開日2000-05-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Archaeal ribosomal protein L1: the structure provides new insights into RNA binding of the L1 protein family.
Structure Fold.Des., 8, 2000
6ZS2
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BU of 6zs2 by Molmil
Crystal Structure of the bromodomain of human transcription activator BRG1 (SMARCA4) in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol
分子名称: 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Transcription activator BRG1
著者Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-07-15
公開日2020-10-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
7JJI
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BU of 7jji by Molmil
Structure of SARS-CoV-2 3Q-2P full-length prefusion spike trimer (C3 symmetry)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside, ...
著者Bangaru, S, Turner, H.L, Ozorowski, G, Antanasijevic, A, Ward, A.B.
登録日2020-07-26
公開日2020-08-26
最終更新日2020-12-23
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural analysis of full-length SARS-CoV-2 spike protein from an advanced vaccine candidate.
Science, 370, 2020
3TUC
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BU of 3tuc by Molmil
Crystal structure of SYK kinase domain with 1-benzyl-N-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
分子名称: 1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide, Tyrosine-protein kinase SYK
著者Lovering, F, McDonald, J, Whitlock, G, Glossop, P, Phillips, C, Sabnis, Y, Ryan, M, Fitz, L, Lee, J, Chang, J.S, Han, S, Kurumbail, R, Thorarenson, A.
登録日2011-09-16
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
6PWV
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BU of 6pwv by Molmil
Cryo-EM structure of MLL1 core complex bound to the nucleosome
分子名称: DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
登録日2019-07-23
公開日2019-12-18
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
3TW2
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BU of 3tw2 by Molmil
High resolution structure of human histidine triad nucleotide-binding protein 1 (hHINT1)/AMP complex in a monoclinic space group
分子名称: ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
著者Dolot, R.M, Wlodarczyk, A, Ozga, M, Krakowiak, A, Nawrot, B.
登録日2011-09-21
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献A new crystal form of human histidine triad nucleotide-binding protein 1 (hHINT1) in complex with adenosine 5'-monophosphate at 1.38 A resolution.
Acta Crystallogr.,Sect.F, 68, 2012
1Y1G
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BU of 1y1g by Molmil
Human formylglycine generating enzyme, double sulfonic acid form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-alpha-formyglycine-generating enzyme, CALCIUM ION
著者Rudolph, M.G, Dickmanns, A, Ficner, R.
登録日2004-11-18
公開日2005-05-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Molecular basis for multiple sulfatase deficiency and mechanism for formylglycine generation of the human formylglycine-generating enzyme.
Cell(Cambridge,Mass.), 121, 2005
4IB0
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BU of 4ib0 by Molmil
X-ray Structure of cAMP dependent protein kinase A in complex with high Na+ concentration, ADP and phosphorylated peptide pSP20
分子名称: ADENOSINE-5'-DIPHOSPHATE, SODIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Gerlits, O, Kovalevsky, A.
登録日2012-12-07
公開日2013-12-11
最終更新日2014-05-28
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
6GHV
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BU of 6ghv by Molmil
Structure of a DC-SIGN CRD in complex with high affinity glycomimetic.
分子名称: CALCIUM ION, CD209 antigen, CHLORIDE ION, ...
著者Thepaut, M, Achilli, S, Medve, L, Bernardi, A, Fieschi, F.
登録日2018-05-09
公開日2019-09-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Enhancing Potency and Selectivity of a DC-SIGN Glycomimetic Ligand by Fragment-Based Design: Structural Basis.
Chemistry, 25, 2019
3G2P
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BU of 3g2p by Molmil
Crystal Structure of the Glycopeptide N-methyltransferase MtfA complexed with (S)-adenosyl-L-homocysteine (SAH)
分子名称: PCZA361.24, S-ADENOSYL-L-HOMOCYSTEINE
著者Shi, R, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2009-01-31
公開日2009-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure and function of the glycopeptide N-methyltransferase MtfA, a tool for the biosynthesis of modified glycopeptide antibiotics.
Chem.Biol., 16, 2009
6QQ8
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BU of 6qq8 by Molmil
Cryogenic temperature structure of the fluorescent protein Cerulean recorded after an accumulated dose of 290 kGy
分子名称: Green fluorescent protein
著者Gotthard, G, Aumonier, S, Royant, A.
登録日2019-02-18
公開日2019-06-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Specific radiation damage is a lesser concern at room temperature.
Iucrj, 6, 2019
1Y27
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BU of 1y27 by Molmil
G-riboswitch-guanine complex
分子名称: Bacillus subtilis xpt, GUANINE
著者Serganov, A, Yuan, Y.R, Patel, D.J.
登録日2004-11-20
公開日2004-12-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for Discriminative Regulation of Gene Expression by Adenine- and Guanine-Sensing mRNAs
Chem.Biol., 11, 2004
6QQD
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BU of 6qqd by Molmil
Cryogenic temperature structure of Hen Egg White Lysozyme recorded after an accumulated dose of 10 MGy
分子名称: CHLORIDE ION, Lysozyme C
著者Gotthard, G, Aumonier, S, Royant, A.
登録日2019-02-18
公開日2019-06-19
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Specific radiation damage is a lesser concern at room temperature.
Iucrj, 6, 2019
7JDW
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BU of 7jdw by Molmil
CRYSTAL STRUCTURE OF HUMAN L-ARGININE:GLYCINE AMIDINOTRANSFERASE IN COMPLEX WITH DELTA-AMINO VALERIC ACID
分子名称: DELTA-AMINO VALERIC ACID, PROTEIN (L-ARGININE:GLYCINE AMIDINOTRANSFERASE)
著者Fritsche, E, Humm, A, Huber, R.
登録日1998-10-12
公開日1999-02-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献The ligand-induced structural changes of human L-Arginine:Glycine amidinotransferase. A mutational and crystallographic study.
J.Biol.Chem., 274, 1999

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