4XHW
 
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7U8B
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6Q41
 | | Atomic resolution crystal structure of a BAA collagen heterotrimer | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Leading chain of the BAA collagen heterotrimer, ... | | 著者 | Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W. | | 登録日 | 2018-12-05 | | 公開日 | 2019-12-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | Atomic resolution crystal structure of an AAB collagen heterotrimer
Nat.Chem.Biol., 2019
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5F0C
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium tuberculosis in complex with compound 4 at 1.87A resolution | | 分子名称: | 3-cyclopentyl-~{N}-(3-piperidin-1-ylphenyl)propanamide, HTH-type transcriptional regulator EthR, SULFATE ION | | 著者 | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | | 登録日 | 2015-11-27 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
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4MWI
 | | Crystal structure of the human MLKL pseudokinase domain | | 分子名称: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, GLYCEROL, Mixed lineage kinase domain-like protein | | 著者 | Czabotar, P.E, Murphy, J.M. | | 登録日 | 2013-09-25 | | 公開日 | 2013-12-04 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Insights into the evolution of divergent nucleotide-binding mechanisms among pseudokinases revealed by crystal structures of human and mouse MLKL.
Biochem.J., 457, 2014
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8IXV
 | | Crystal structure of intracellular B30.2 domain of BTN3A in complex with 2Cl-HMBPP | | 分子名称: | 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T. | | 登録日 | 2023-04-03 | | 公開日 | 2023-09-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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7BY4
 | | Tetanus neurotoxin receptor binding domain | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SODIUM ION, ... | | 著者 | Zhang, C.M, Imoto, Y, Inoue, T. | | 登録日 | 2020-04-21 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural flexibility of the tetanus neurotoxin revealed by crystallographic and solution scattering analyses.
J Struct Biol X, 5, 2021
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5EX6
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4PY8
 | | Crystal structure of Fab 3.1 in complex with the 1918 influenza virus hemagglutinin | | 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, Hemagglutinin HA1 chain, ... | | 著者 | Dreyfus, C. | | 登録日 | 2014-03-26 | | 公開日 | 2014-05-21 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Alternative Recognition of the Conserved Stem Epitope in Influenza A Virus Hemagglutinin by a VH3-30-Encoded Heterosubtypic Antibody.
J.Virol., 88, 2014
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5EZ2
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7BBO
 | | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P212121 | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, PH-interacting protein | | 著者 | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC) | | 登録日 | 2020-12-18 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212
To Be Published
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3MPL
 | | Crystal Structure of Bordetella pertussis BvgS VFT2 domain (Double Mutant F375E/Q461E) | | 分子名称: | 1,2-ETHANEDIOL, Virulence sensor protein bvgS | | 著者 | Herrou, J, Bompard, C, Wintjens, R, Dupre, E, Willery, E, Villeret, V, Locht, C, Antoine, R, Jacob-Dubuisson, F. | | 登録日 | 2010-04-27 | | 公開日 | 2010-10-06 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Periplasmic domain of the sensor-kinase BvgS reveals a new paradigm for the Venus flytrap mechanism.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4ML9
 | | Crystal Structure of Uncharacterized TIM Barrel Protein with the Conserved Phosphate Binding Site fromSebaldella termitidis | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Kim, Y, Holowicki, J, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2013-09-06 | | 公開日 | 2013-09-18 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.841 Å) | | 主引用文献 | Crystal Structure of Uncharacterized TIM Barrel Protein with the Conserved Phosphate Binding Site fromSebaldella termitidis
To be Published
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4MKK
 | | Crystal structure of C115A mutant L-methionine gamma-lyase from Citrobacter freundii modified by allicine | | 分子名称: | CHLORIDE ION, Methionine gamma-lyase, POTASSIUM ION, ... | | 著者 | Revtovich, S.V, Nikulin, A.D, Morozova, E.A, Zakomirdina, L.N, Demidkina, T.V. | | 登録日 | 2013-09-05 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Alliin is a suicide substrate of Citrobacter freundii methionine gamma-lyase: structural bases of inactivation of the enzyme.
Acta Crystallogr.,Sect.D, 70, 2014
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8R6E
 | | SARS-CoV-2 Nucleocapsid dimerization domain | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Fahoum, J, Wiener, R, Rouvinski, A, Isupov, M.N. | | 登録日 | 2023-11-22 | | 公開日 | 2024-12-04 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | SARS-CoV-2 Nucleocapsid dimerization domain
To Be Published
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4Y14
 | | Structure of protein tyrosine phosphatase 1B complexed with inhibitor (PTP1B:CPT157633) | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-bromo-4-[difluoro(phosphono)methyl]-N-methyl-Nalpha-(methylsulfonyl)-L-phenylalaninamide, CHLORIDE ION, ... | | 著者 | Choy, M.S, Connors, C, Page, R, Peti, W. | | 登録日 | 2015-02-06 | | 公開日 | 2015-08-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | | 主引用文献 | PTP1B inhibition suggests a therapeutic strategy for Rett syndrome.
J.Clin.Invest., 125, 2015
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4Q3R
 | | Crystal structure of Schistosoma mansoni arginase in complex with inhibitor ABHDP | | 分子名称: | (R)-2-amino-6-borono-2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid, Arginase, CESIUM ION, ... | | 著者 | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | | 登録日 | 2014-04-12 | | 公開日 | 2014-07-16 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.169 Å) | | 主引用文献 | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis.
Biochemistry, 53, 2014
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5F25
 | | Crystal structure of the BRD9 bromodomain in complex with compound 4. | | 分子名称: | 4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide, BRD9 | | 著者 | Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | | 登録日 | 2015-12-01 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
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6A6N
 | | Crystal structure of an inward-open apo state of the eukaryotic ABC multidrug transporter CmABCB1 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP-binding cassette, sub-family B, ... | | 著者 | Kato, H, Nakatsu, T, Kodan, A. | | 登録日 | 2018-06-28 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | | 主引用文献 | Inward- and outward-facing X-ray crystal structures of homodimeric P-glycoprotein CmABCB1.
Nat Commun, 10, 2019
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6DX5
 | | Crystal structure of the viral OTU domain protease from Farallon virus | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, RNA-dependent RNA polymerase | | 著者 | Beldon, B.S, Dzimianski, J.V, Daczkowski, C.M, Goodwin, O.Y, Pegan, S.D. | | 登録日 | 2018-06-28 | | 公開日 | 2018-12-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.224 Å) | | 主引用文献 | Probing the impact of nairovirus genomic diversity on viral ovarian tumor domain protease (vOTU) structure and deubiquitinase activity.
PLoS Pathog., 15, 2019
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3M5K
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5B41
 | | Crystal structure of VDR-LBD complexed with 2-methylidene-19-nor-1a,25-dihydroxyvitamin D3 | | 分子名称: | (1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | 著者 | Anami, Y, Itoh, T, Yamamoto, K. | | 登録日 | 2016-03-23 | | 公開日 | 2016-12-07 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Apo- and Antagonist-Binding Structures of Vitamin D Receptor Ligand-Binding Domain Revealed by Hybrid Approach Combining Small-Angle X-ray Scattering and Molecular Dynamics
J.Med.Chem., 59, 2016
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6TCN
 | | Crystal structure of the omalizumab Fab - crystal form II | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Mitropoulou, A.N, Ceska, T, Beavil, A.J, Henry, A.J, McDonnell, J.M, Sutton, B.J, Davies, A.M. | | 登録日 | 2019-11-06 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Engineering the Fab fragment of the anti-IgE omalizumab to prevent Fab crystallization and permit IgE-Fc complex crystallization.
Acta Crystallogr.,Sect.F, 76, 2020
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6DXQ
 | | Crystal structure of the LigJ Hydratase product complex with 4-carboxy-4-hydroxy-2-oxoadipate | | 分子名称: | (2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid, 4-oxalomesaconate hydratase, ZINC ION | | 著者 | Mabanglo, M.F, Raushel, F.M. | | 登録日 | 2018-06-29 | | 公開日 | 2018-09-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway.
Biochemistry, 57, 2018
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6T5U
 | | KRasG12C ligand complex | | 分子名称: | 1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Phillips, C. | | 登録日 | 2019-10-17 | | 公開日 | 2020-02-19 | | 最終更新日 | 2025-10-01 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
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