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2M47
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Solution NMR structure of the Polyketide_cyc-like protein Cgl2372 from Corynebacterium glutamicum, Northeast Structural Genomics Consortium Target CgR160
分子名称: Uncharacterized protein Cgl2373
著者Yang, Y, Ramelot, T.A, Lee, D, Ciccosanti, C, Sapin, A, Janjua, H, Nair, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2013-01-30
公開日2013-02-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the Polyketide_cyc-like protein Cgl2372 from Corynebacterium glutamicum, Northeast Structural Genomics Consortium Target CgR160.
To be Published
7AQS
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BU of 7aqs by Molmil
Crystal structure of E. coli DPS in space group P1
分子名称: DNA protection during starvation protein, FE (III) ION
著者Jakob, R.P, Pipercevic, J, Righetto, R, Goldie, K, Stahlberg, H, Maier, T, Hiller, S.
登録日2020-10-22
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of a Dps contamination in Mitomycin-C-induced expression of Colicin Ia.
Biochim Biophys Acta Biomembr, 1863, 2021
5L3U
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BU of 5l3u by Molmil
Thermolysin in complex with JC149 (MPD cryo protectant)
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2R)-2,3,3-trimethylbutyl]-L-leucinamide, ...
著者Krimmer, S.G, Cramer, J, Heine, A, Klebe, G.
登録日2016-05-24
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
5L8Z
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BU of 5l8z by Molmil
Structure of thermostable DNA-binding HU protein from micoplasma Spiroplasma melliferum
分子名称: DNA-binding protein, SODIUM ION
著者Boyko, K.M, Gorbacheva, M.A, Rakitina, T.V, Korzhenevskiy, D.A, Kamashev, D.E, Vanyushkina, A.A, Lipkin, A.V, Popov, V.O.
登録日2016-06-09
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of the high thermal stability of the histone-like HU protein from the mollicute Spiroplasma melliferum KC3.
Sci Rep, 6, 2016
3IKU
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BU of 3iku by Molmil
Structural model of ParM filament in closed state from cryo-EM
分子名称: Plasmid segregation protein parM
著者Galkin, V.E, Orlova, A, Rivera, C, Mullins, R.D, Egelman, E.H.
登録日2009-08-06
公開日2009-09-29
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (18 Å)
主引用文献Structural polymorphism of the ParM filament and dynamic instability
Structure, 17, 2009
7QCF
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BU of 7qcf by Molmil
X-ray crystallographic structure of E. coli K-12 glycyl-tRNA synthetase alpha subunit (glyQ)
分子名称: Glycine--tRNA ligase alpha subunit
著者Weeks, S.D, Munawar, A.H.
登録日2021-11-23
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of E. coli K-12 glycyl-tRNA synthetase alpha subunit (glyQ)
To Be Published
7KKC
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BU of 7kkc by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to 5-Hydroxyindoleacetic acid
分子名称: (5-hydroxy-1H-indol-3-yl)acetic acid, SULFATE ION, Transcriptional regulator, ...
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-10-27
公開日2021-12-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7B4I
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BU of 7b4i by Molmil
Thermostable omega transaminase PjTA-R6 variant W58G engineered for asymmetric synthesis of enantiopure bulky amines
分子名称: Aspartate aminotransferase family protein, PYRIDOXAL-5'-PHOSPHATE, SUCCINIC ACID
著者Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B.
登録日2020-12-02
公開日2021-09-01
最終更新日2021-09-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Computational Redesign of an omega-Transaminase from Pseudomonas jessenii for Asymmetric Synthesis of Enantiopure Bulky Amines.
Acs Catalysis, 11, 2021
2XZ1
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BU of 2xz1 by Molmil
The Structure of the 2:2 (Fully Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Acyl Carrier Protein.
分子名称: (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACYL CARRIER PROTEIN 1, CHLOROPLASTIC, ...
著者Guy, J.E, Moche, M, Whittle, E, Lengqvist, J, Shanklin, J, Lindqvist, Y.
登録日2010-11-22
公開日2011-09-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Remote Control of Regioselectivity in Acyl-Acyl Carrier Protein-Desaturases.
Proc.Natl.Acad.Sci.USA, 108, 2011
7QWK
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BU of 7qwk by Molmil
GCN2 (EIF2ALPHA KINASE 4, E2AK4) IN COMPLEX WITH COMPOUND 2
分子名称: (2~{S})-~{N}-[(1~{S})-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide, DIMETHYL SULFOXIDE, eIF-2-alpha kinase GCN2
著者Maia de Oliveira, T.
登録日2022-01-25
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of human GCN2 reveals a parallel, back-to-back kinase dimer with a plastic DFG activation loop motif.
Biochem.J., 477, 2020
7T9V
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BU of 7t9v by Molmil
Crystal structure of hSTING with the agonist, SHR171032
分子名称: (3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein
著者Chowdhury, R, Miller, M.
登録日2021-12-20
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
7KJL
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BU of 7kjl by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Salicylic acid
分子名称: 2-HYDROXYBENZOIC ACID, SULFATE ION, Transcriptional regulator, ...
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-10-26
公開日2021-12-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7T6I
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BU of 7t6i by Molmil
Crystal structure of HLA-DP1 in complex with pp65 peptide in reverse orientation
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
著者Lim, J.J, Reid, H, Rossjohn, J.
登録日2021-12-13
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Human T cells recognize HLA-DP-bound peptides in two orientations.
Proc.Natl.Acad.Sci.USA, 119, 2022
7AHF
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BU of 7ahf by Molmil
Dimeric structure of the catalytic domain of the human ubiquitin-conjugating enzyme UBE2S L114E varaiant
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Ubiquitin-conjugating enzyme E2 S
著者Liess, A.K.L, Feiler, C.G, Lorenz, S.
登録日2020-09-24
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural analyses of the ubiquitin-conjugating enzyme UBE2S in different crystal forms
To Be Published
7T5C
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BU of 7t5c by Molmil
X-ray structure of Neurospora crassa Polysaccharide Monooxygenase 9D (NcLPMO9D) at low pH
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Lytic polysaccharide monooxygenase, ...
著者Schroder, G.C, Meilleur, F.
登録日2021-12-11
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Capture of activated dioxygen intermediates at the copper-active site of a lytic polysaccharide monooxygenase.
Chem Sci, 13, 2022
2XP2
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BU of 2xp2 by Molmil
Structure of the Human Anaplastic Lymphoma Kinase in Complex with Crizotinib (PF-02341066)
分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Timofeevski, S, Marrone, T, Cui, J.J.
登録日2010-08-24
公開日2010-09-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure Based Drug Design of Crizotinib (Pf-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-met) Kinase and Anaplastic Lymphoma Kinase (Alk).
J.Med.Chem, 54, 2011
7T2B
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BU of 7t2b by Molmil
Crystal structure of the 5F TCR in complex with HLA-DP4-Ply
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J.
登録日2021-12-03
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献CD4 + T cell-mediated recognition of a conserved cholesterol-dependent cytolysin epitope generates broad antibacterial immunity.
Immunity, 56, 2023
7KRY
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BU of 7kry by Molmil
Co-crystal structure of alpha glucosidase with compound 11
分子名称: (1S,2S,3R,4S,5S)-5-({6-[(4-azido-2-nitrophenyl)amino]hexyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2020-11-20
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity.
J.Med.Chem., 64, 2021
7B2T
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BU of 7b2t by Molmil
Crystal structure of Iripin-5 serpin from Ixodes ricinus
分子名称: CHLORIDE ION, MAGNESIUM ION, Serpin-4 precursor, ...
著者Kascakova, B, Kuta Smatanova, I.
登録日2020-11-27
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and biochemical characterization of the novel serpin Iripin-5 from Ixodes ricinus.
Acta Crystallogr D Struct Biol, 77, 2021
5L6L
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BU of 5l6l by Molmil
Structure of Caulobacter crescentus VapBC1 bound to operator DNA
分子名称: DNA (27-MER), Ribonuclease VapC, VapB family protein
著者Bendtsen, K.L, Xu, K, Luckmann, M, Brodersen, D.E.
登録日2016-05-30
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Toxin inhibition in C. crescentus VapBC1 is mediated by a flexible pseudo-palindromic protein motif and modulated by DNA binding.
Nucleic Acids Res., 45, 2017
3IOG
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BU of 3iog by Molmil
Crystal structure of CphA N220G mutant with inhibitor 18
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION, ...
著者Delbruck, H, Bebrone, C, Hoffmann, K.M.V.
登録日2009-08-14
公開日2010-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Mercaptophosphonate Compounds as Broad-Spectrum Inhibitors of the Metallo-beta-lactamases
J.Med.Chem., 53, 2010
8PQN
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BU of 8pqn by Molmil
NQO1 bound to RBS-10
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, ~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide
著者Pous, J, Jose-Duran, F, Mayor-Ruiz, C, Riera, A.
登録日2023-07-11
公開日2024-01-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Discovery and Mechanistic Elucidation of NQO1-Bioactivatable Small Molecules That Overcome Resistance to Degraders.
Angew.Chem.Int.Ed.Engl., 63, 2024
8Q4K
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Crystal structure of Borrelia burgdorferi BB0158
分子名称: S2 lipoprotein, SULFATE ION
著者Brangulis, K, Tars, K.
登録日2023-08-07
公開日2024-01-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of chromosomally encoded outer surface lipoprotein BB0158 from Borrelia burgdorferi sensu stricto.
Ticks Tick Borne Dis, 15, 2024
7QRV
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BU of 7qrv by Molmil
Crystal structure of NHL domain of TRIM2 (full C-terminal)
分子名称: 1,2-ETHANEDIOL, Tripartite motif-containing protein 2
著者Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-01-12
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family.
Iucrj, 9, 2022
7T5E
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BU of 7t5e by Molmil
Neutron structure of Neurospora crassa Polysaccharide Monooxygenase 9D (NcLPMO9D) low pH vapor exchange
分子名称: COPPER (II) ION, Lytic polysaccharide monooxygenase, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Schroder, G.C, Meilleur, F.
登録日2021-12-11
公開日2022-12-28
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION
主引用文献Capture of activated dioxygen intermediates at the copper-active site of a lytic polysaccharide monooxygenase.
Chem Sci, 13, 2022

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