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4YRF
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Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 5-bromopyridin-2(1H)-one (Chem 148)
分子名称: 1,2-ETHANEDIOL, 5-bromopyridin-2(1H)-one, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr.,Sect.D, 71, 2015
4YRN
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Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 6-bromopyridin-3-amine (Chem 475)
分子名称: 1,2-ETHANEDIOL, 6-bromopyridin-3-amine, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
5YVU
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Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
分子名称: GLYCEROL, Genome polyprotein, Pancreatic trypsin inhibitor
著者Phoo, W.W, El Sahili, A.
登録日2017-11-27
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
To Be Published
5YXG
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Crystal structure of C-terminal fragment of SpaD from Lactobacillus rhamnosus GG generated by limited proteolysis
分子名称: CHLORIDE ION, Pilus assembly protein
著者Chaurasia, P, Pratap, S, Palva, A, von Ossowski, I, Krishnan, V.
登録日2017-12-05
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Bent conformation of a backbone pilin N-terminal domain supports a three-stage pilus assembly mechanism.
Commun Biol, 1, 2018
4YRT
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Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with N-(5-hydroxynaphthalen-2-yl)propanamide (Chem 1781)
分子名称: 1,2-ETHANEDIOL, HISTIDINE, Histidyl-tRNA synthetase, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
5YY9
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Crystal structure of Tandem Tudor Domain of human UHRF1 in complex with LIG1-K126me3
分子名称: E3 ubiquitin-protein ligase UHRF1, Ligase 1
著者Kori, S, Defossez, P.A, Arita, K.
登録日2017-12-08
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.653 Å)
主引用文献Structure of the UHRF1 Tandem Tudor Domain Bound to a Methylated Non-histone Protein, LIG1, Reveals Rules for Binding and Regulation.
Structure, 27, 2019
5Z24
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BU of 5z24 by Molmil
Crystal structure of shaft pilin spaD from Lactobacillus rhamnosus GG - K365A mutant
分子名称: Pilus assembly protein
著者Chaurasia, P, Pratap, S, Palva, A, von Ossowski, I, Krishnan, V.
登録日2017-12-28
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Bent conformation of a backbone pilin N-terminal domain supports a three-stage pilus assembly mechanism.
Commun Biol, 1, 2018
4YX7
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Complex of SpaO(SPOA1,2) and OrgB(APAR)::T4lysozyme fusion protein
分子名称: Oxygen-regulated invasion protein OrgB,Endolysin, Surface presentation of antigens protein SpaO
著者Notti, R.Q, Stebbins, C.E.
登録日2015-03-22
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.0007 Å)
主引用文献A common assembly module in injectisome and flagellar type III secretion sorting platforms.
Nat Commun, 6, 2015
4YM2
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Crystal structure of the human galectin-4 C-terminal carbohydrate recognition domain in complex with lactose-3'-sulfate
分子名称: 3-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Galectin-4, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Bum-Erdene, K, Blanchard, H.
登録日2015-03-06
公開日2015-07-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural characterization of human galectin-4 C-terminal domain: elucidating the molecular basis for recognition of glycosphingolipids, sulfated saccharides and blood group antigens.
Febs J., 282, 2015
4YMD
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CL-K1 trimer bound to man(alpha1-2)man
分子名称: CALCIUM ION, Collectin-11, GLYCEROL, ...
著者Wallis, R, Venkatraman Girija, U, Gingras, A.R, Moody, P.C.E, Marshall, J.E.
登録日2015-03-06
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Molecular basis of sugar recognition by collectin-K1 and the effects of mutations associated with 3MC syndrome.
Bmc Biol., 13, 2015
4YRG
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BU of 4yrg by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with (6-bromopyridin-2-yl)methanol (Chem 149)
分子名称: (6-bromopyridin-2-yl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRQ
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BU of 4yrq by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 6-amino-2H-chromen-2-one (Chem 744)
分子名称: 1,2-ETHANEDIOL, 6-amino-2H-chromen-2-one, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YAX
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BU of 4yax by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzenesulfonamide (5g)
分子名称: GLYCEROL, N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, SULFATE ION, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-18
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
5Z9K
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BU of 5z9k by Molmil
BRD4 Bromodomain 1 with an inhibitor
分子名称: 1-ethyl-6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4
著者Xiao, S, Chen, S, Chen, H.
登録日2018-02-03
公開日2019-02-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献BRD4 Bromodomain 1 with an inhibitor
To Be Published
5ZHN
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BU of 5zhn by Molmil
Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor
分子名称: N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C.
登録日2018-03-13
公開日2019-03-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
5ZJA
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BU of 5zja by Molmil
human D-amino acid oxidase complexed with 5-chlorothiophene-2-carboxylic acid
分子名称: 5-chloro thiophene-2-carboxylic acid, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Kato, Y, Hin, N, Maita, N, Thomas, A.G, Kurosawa, S, Rojas, C, Yorita, K, Slusher, B.S, Fukui, K, Tsukamoto, T.
登録日2018-03-19
公開日2018-10-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for potent inhibition of d-amino acid oxidase by thiophene carboxylic acids
Eur J Med Chem, 159, 2018
4YX1
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BU of 4yx1 by Molmil
SpaO(SPOA2)
分子名称: CALCIUM ION, Surface presentation of antigens protein SpaO
著者Notti, R.Q, Stebbins, C.E.
登録日2015-03-21
公開日2015-06-03
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A common assembly module in injectisome and flagellar type III secretion sorting platforms.
Nat Commun, 6, 2015
4YNG
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Twinned pyruvate kinase from E. coli in the T-state
分子名称: Pyruvate kinase I, SULFATE ION
著者Donovan, K.A, Dobson, R.C.J.
登録日2015-03-10
公開日2015-03-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Grappling with anisotropic data, pseudo-merohedral twinning and pseudo-translational noncrystallographic symmetry: a case study involving pyruvate kinase.
Acta Crystallogr D Struct Biol, 72, 2016
4YKL
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BU of 4ykl by Molmil
Hnt3 in complex with DNA and guanosine
分子名称: Aprataxin-like protein, CHLORIDE ION, DNA (5'-D(*GP*AP*AP*TP*CP*AP*TP*AP*AP*C)-3'), ...
著者Jacewicz, A, Chauleau, M, Shuman, S.
登録日2015-03-04
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献DNA3'pp5'G de-capping activity of aprataxin: effect of cap nucleoside analogs and structural basis for guanosine recognition.
Nucleic Acids Res., 43, 2015
4X1H
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BU of 4x1h by Molmil
Opsin/G(alpha) peptide complex stabilized by nonyl-glucoside
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-terminal derived peptide of guanine nucleotide-binding protein G(t) subunit alpha-1, PALMITIC ACID, ...
著者Blankenship, E, Lodowski, D.T.
登録日2014-11-24
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献The High-Resolution Structure of Activated Opsin Reveals a Conserved Solvent Network in the Transmembrane Region Essential for Activation.
Structure, 23, 2015
4X2U
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X-ray crystal structure of the orally available aminopeptidase inhibitor, Tosedostat, bound to the M1 Alanyl Aminopeptidase from P. falciparum
分子名称: (2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2014-11-27
公開日2015-02-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献X-ray crystal structures of an orally available aminopeptidase inhibitor, Tosedostat, bound to anti-malarial drug targets PfA-M1 and PfA-M17.
Proteins, 83, 2015
4X6F
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CD1a binary complex with sphingomyelin
分子名称: (4S,7S,23Z)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont- 23-en-1-aminium 4-oxide, Beta-2-microglobulin, T-cell surface glycoprotein CD1a
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-12-08
公開日2015-02-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands.
Nat.Immunol., 16, 2015
5YYA
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Crystal structure of Tandem Tudor Domain of human UHRF1
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase UHRF1, SULFATE ION
著者Kori, S, Defossez, P.A, Arita, K.
登録日2017-12-08
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the UHRF1 Tandem Tudor Domain Bound to a Methylated Non-histone Protein, LIG1, Reveals Rules for Binding and Regulation.
Structure, 27, 2019
4X7G
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CobK precorrin-6A reductase
分子名称: 3-[(1R,2S,3S,7S,11S,16S,17R,18R,19R)-2,7,12,18-tetrakis(2-hydroxy-2-oxoethyl)-3,13-bis(3-hydroxy-3-oxopropyl)-1,2,5,7,11,17-hexamethyl-17-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)-3,6,8,10,15,16,18,19,21,24-decahydrocorrin-8-yl]propanoic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Precorrin-6A reductase
著者Gu, S, Deery, E, Warren, M.J, Pickersgill, R.W.
登録日2014-12-09
公開日2016-01-20
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Crystal structure of CobK reveals strand-swapping between Rossmann-fold domains and molecular basis of the reduced precorrin product trap.
Sci Rep, 5, 2015
4WLI
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Stationary Phase Survival Protein YuiC from B.subtilis
分子名称: 1,2-ETHANEDIOL, YuiC
著者Quay, D.H.X, Cole, A.R, Cryar, A, Thalassinos, K, Williams, M.A, Bhakta, S, Keep, N.H.
登録日2014-10-07
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure of the stationary phase survival protein YuiC from B.subtilis.
Bmc Struct.Biol., 15, 2015

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