8G1A
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![BU of 8g1a by Molmil](/molmil-images/mine/8g1a) | Cryo-EM structure of Nav1.7 with CBD | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | 著者 | Fan, X, Huang, J, Yan, N. | 登録日 | 2023-02-01 | 公開日 | 2023-07-05 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Cannabidiol inhibits Na v channels through two distinct binding sites. Nat Commun, 14, 2023
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6WRU
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5MKY
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![BU of 5mky by Molmil](/molmil-images/mine/5mky) | BROMODOMAIN OF HUMAN BRD9 WITH 4-chloro-2-methyl-5-((2-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)amino)pyridazin-3(2H)-one | 分子名称: | 4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-5-yl)amino]pyridazin-3-one, Bromodomain-containing protein 9 | 著者 | Chung, C.-W. | 登録日 | 2016-12-05 | 公開日 | 2017-12-20 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe. J. Med. Chem., 60, 2017
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8BVD
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![BU of 8bvd by Molmil](/molmil-images/mine/8bvd) | FimH lectin domain in complex with mannose C-linked to quinoline | 分子名称: | (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-quinolin-6-ylprop-2-enyl]oxane-3,4,5-triol, Type 1 fimbrin D-mannose specific adhesin | 著者 | Bouckaert, J, Bridot, C. | 登録日 | 2022-12-03 | 公開日 | 2023-02-15 | 最終更新日 | 2023-03-08 | 実験手法 | X-RAY DIFFRACTION (2.995 Å) | 主引用文献 | Insightful Improvement in the Design of Potent Uropathogenic E. coli FimH Antagonists. Pharmaceutics, 15, 2023
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5A15
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![BU of 5a15 by Molmil](/molmil-images/mine/5a15) | Crystal structure of the BTB domain of human KCTD16 | 分子名称: | BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD16 | 著者 | Pinkas, D.M, Sanvitale, C.E, Solcan, N, Goubin, S, Canning, P, Dixon Clarke, S.E, Talon, R, Wiggers, H.J, Fitzpatrick, F, Tallant, C, Kopec, J, Chalk, R, Doutch, J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | 登録日 | 2015-04-28 | 公開日 | 2015-11-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | 主引用文献 | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases. Biochem. J., 474, 2017
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5LKT
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![BU of 5lkt by Molmil](/molmil-images/mine/5lkt) | Crystal structure of the p300 acetyltransferase catalytic core with butyryl-coenzyme A. | 分子名称: | Butyryl Coenzyme A, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | 登録日 | 2016-07-24 | 公開日 | 2016-11-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Structure of p300 in complex with acyl-CoA variants. Nat. Chem. Biol., 13, 2017
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8EBK
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4AQ7
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![BU of 4aq7 by Molmil](/molmil-images/mine/4aq7) | Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and leucyl-adenylate analogue in the aminoacylation conformation | 分子名称: | E. COLI TRNALEU UAA ISOACCEPTOR, LEUCINE, LEUCINE--TRNA LIGASE, ... | 著者 | Palencia, A, Crepin, T, Vu, M.T, Lincecum Jr, T.L, Martinis, S.A, Cusack, S. | 登録日 | 2012-04-13 | 公開日 | 2012-06-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural Dynamics of the Aminoacylation and Proofreading Functional Cycle of Bacterial Leucyl-tRNA Synthetase Nat.Struct.Mol.Biol., 19, 2012
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8A35
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![BU of 8a35 by Molmil](/molmil-images/mine/8a35) | NaK C-DI mutant with Rb+ and Na+ | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein, RUBIDIUM ION, ... | 著者 | Minniberger, S, Plested, A.J.R. | 登録日 | 2022-06-07 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.05 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
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8P6O
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8PC8
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8PC3
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4TPL
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![BU of 4tpl by Molmil](/molmil-images/mine/4tpl) | West Nile Virus Non-structural protein 1 (NS1) Form 1 crystal | 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, OXTOXYNOL-10, ... | 著者 | Akey, D.L, Smith, J.L. | 登録日 | 2014-06-08 | 公開日 | 2014-10-15 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Use of massively multiple merged data for low-resolution S-SAD phasing and refinement of flavivirus NS1. Acta Crystallogr.,Sect.D, 70, 2014
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5LRB
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![BU of 5lrb by Molmil](/molmil-images/mine/5lrb) | Plastidial phosphorylase from Barley in complex with acarbose | 分子名称: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-1,4 glucan phosphorylase, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Cuesta-Seijo, J.A, Ruzanski, C, Kruzewicz, K, Palcic, M.M. | 登録日 | 2016-08-18 | 公開日 | 2017-05-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Functional and structural characterization of plastidic starch phosphorylase during barley endosperm development. PLoS ONE, 12, 2017
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4WQ9
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![BU of 4wq9 by Molmil](/molmil-images/mine/4wq9) | Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - dithionite soak | 分子名称: | 1,2-ETHANEDIOL, HEME C, HYDROSULFURIC ACID, ... | 著者 | Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M. | 登録日 | 2014-10-21 | 公開日 | 2015-02-18 | 最終更新日 | 2021-09-08 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION. J.Biol.Chem., 290, 2015
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8BRE
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6FJX
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![BU of 6fjx by Molmil](/molmil-images/mine/6fjx) | Structure and function of aldehyde dehydrogenase from Thermus thermophilus: An enzyme with an evolutionarily-distinct C-terminal arm (Native protein) | 分子名称: | Aldehyde dehydrogenase, SULFATE ION, TRIETHYLENE GLYCOL, ... | 著者 | Hayes, K.A, Noor, M.R, Djeghader, A, Soulimane, T. | 登録日 | 2018-01-23 | 公開日 | 2018-09-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | The quaternary structure of Thermus thermophilus aldehyde dehydrogenase is stabilized by an evolutionary distinct C-terminal arm extension. Sci Rep, 8, 2018
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6WF7
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![BU of 6wf7 by Molmil](/molmil-images/mine/6wf7) | Methylmalonyl-CoA epimerase in complex with methylmalonyl-CoA and NH4+ | 分子名称: | (S)-Methylmalonyl-Coenzyme A, AMMONIUM ION, METHYLMALONYL-COENZYME A, ... | 著者 | Stunkard, L.M, Benjamin, A.B, Bower, J.B, Huth, T.J, Lohman, J.R. | 登録日 | 2020-04-03 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Substrate Enolate Intermediate and Mimic Captured in the Active Site of Streptomyces coelicolor Methylmalonyl-CoA Epimerase. Chembiochem, 23, 2022
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5KU3
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![BU of 5ku3 by Molmil](/molmil-images/mine/5ku3) | BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone) | 分子名称: | 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, Bromodomain-containing protein 4, ... | 著者 | Murray, J.M, Huang, W. | 登録日 | 2016-07-12 | 公開日 | 2016-11-02 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
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6WVH
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![BU of 6wvh by Molmil](/molmil-images/mine/6wvh) | Human VKOR with Brodifacoum | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Brodifacoum, Vitamin K epoxide reductase, ... | 著者 | Liu, S, Sukumar, N, Li, W. | 登録日 | 2020-05-06 | 公開日 | 2020-11-11 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science, 371, 2021
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3QHN
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![BU of 3qhn by Molmil](/molmil-images/mine/3qhn) | Crystal analysis of the complex structure, E201A-cellotetraose, of endocellulase from pyrococcus horikoshii | 分子名称: | 458aa long hypothetical endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | 著者 | Kim, H.-W, Ishikawa, K. | 登録日 | 2011-01-26 | 公開日 | 2012-02-01 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Functional analysis of hyperthermophilic endocellulase from Pyrococcus horikoshii by crystallographic snapshots Biochem.J., 437, 2011
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5KJ0
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![BU of 5kj0 by Molmil](/molmil-images/mine/5kj0) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH DB-1-264-2 | 分子名称: | 1,2-ETHANEDIOL, 4-[[(7~{R})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{H}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{N}-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4 | 著者 | Zhu, J.-Y, Ember, S.W, Schonbrunn, E. | 登録日 | 2016-06-17 | 公開日 | 2017-08-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Assessment of Bromodomain Target Engagement by a Series of BI2536 Analogues with Miniaturized BET-BRET. ChemMedChem, 11, 2016
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7JHD
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![BU of 7jhd by Molmil](/molmil-images/mine/7jhd) | Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with TTC-352 and GRIP Peptide | 分子名称: | 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Fanning, S.W, Abderraman, B, Maximov, P.Y, Jordan, V.C, Greene, G.L. | 登録日 | 2020-07-20 | 公開日 | 2020-11-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | 主引用文献 | Rapid Induction of the Unfolded Protein Response and Apoptosis by Estrogen Mimic TTC-352 for the Treatment of Endocrine-Resistant Breast Cancer. Mol.Cancer Ther., 20, 2021
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4WOV
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![BU of 4wov by Molmil](/molmil-images/mine/4wov) | CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH BMS-066 AKA 2-METHOXY-N-({6-[3-METHYL-7-(METHYLAMINO)-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0, 6]DODECA-1(9),2(6),4,7,11-PENTAEN-11-YL]PYRIDIN-2-YL}METHY L)ACETAMIDE | 分子名称: | 2-methoxy-N-({6-[1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl]pyridin-2-yl}methyl)acetamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION | 著者 | Muckelbauer, J.K. | 登録日 | 2014-10-16 | 公開日 | 2015-03-18 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Tyrosine Kinase 2-mediated Signal Transduction in T Lymphocytes Is Blocked by Pharmacological Stabilization of Its Pseudokinase Domain. J.Biol.Chem., 290, 2015
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5J03
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