7ZSU
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![BU of 7zsu by Molmil](/molmil-images/mine/7zsu) | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, Steroid C26-monooxygenase, ... | 著者 | Snee, M, Katariya, M, Levy, C, Leys, D. | 登録日 | 2022-05-09 | 公開日 | 2023-04-05 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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8Q9N
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![BU of 8q9n by Molmil](/molmil-images/mine/8q9n) | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and MITR deacetylase binding motif mutant L151V. | 分子名称: | DIMETHYL SULFOXIDE, DNA MADS box, MEF2D protein, ... | 著者 | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | 登録日 | 2023-08-20 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol., 436, 2024
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6B2A
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![BU of 6b2a by Molmil](/molmil-images/mine/6b2a) | Crystal structure of fluoride channel Fluc Ec2 F80M Mutant | 分子名称: | DECYL-BETA-D-MALTOPYRANOSIDE, FLUORIDE ION, Fluoride ion transporter CrcB, ... | 著者 | Last, N.B, Sun, S, Pham, M.C, Miller, C. | 登録日 | 2017-09-19 | 公開日 | 2017-10-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Molecular determinants of permeation in a fluoride-specific ion channel. Elife, 6, 2017
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5TQU
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8QH0
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![BU of 8qh0 by Molmil](/molmil-images/mine/8qh0) | |
7KUQ
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8QWM
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![BU of 8qwm by Molmil](/molmil-images/mine/8qwm) | Structure of p53 cancer mutant Y205C | 分子名称: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, L(+)-TARTARIC ACID, ... | 著者 | Balourdas, D.I, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-10-19 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Structural basis of p53 inactivation by cavity-creating cancer mutations and its implications for the development of mutant p53 reactivators. Cell Death Dis, 15, 2024
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8A4E
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7KWJ
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![BU of 7kwj by Molmil](/molmil-images/mine/7kwj) | Spermidine N-acetyltransferase SpeG K23-Q34 chimera from Vibrio cholerae and hSSAT | 分子名称: | Spermidine N(1)-acetyltransferase | 著者 | Le, V.T.B, Tsimbalyuk, S, Lim, E.Q, Solis, A, Gawat, D, Boeck, P, Renolo, R, Forwood, J.K, Kuhn, M.L. | 登録日 | 2020-12-01 | 公開日 | 2020-12-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | The Vibrio cholerae SpeG Spermidine/Spermine N -Acetyltransferase Allosteric Loop and beta 6-beta 7 Structural Elements Are Critical for Kinetic Activity. Front Mol Biosci, 8, 2021
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6P9G
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![BU of 6p9g by Molmil](/molmil-images/mine/6p9g) | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 2-(4-oxoquinazolin-3(4H)-yl)propanoic acid | 分子名称: | (2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid, UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 5, ... | 著者 | Tempel, W, Mann, M.K, Harding, R.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Structural Genomics Consortium (SGC) | 登録日 | 2019-06-10 | 公開日 | 2019-09-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain. J.Med.Chem., 62, 2019
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6F74
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6B2M
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![BU of 6b2m by Molmil](/molmil-images/mine/6b2m) | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in complex with coenzyme A | 分子名称: | ATP-utilizing enzyme of the PP-loopsuperfamily, COENZYME A, PHOSPHATE ION | 著者 | Fellner, M, Hausinger, R.P, Hu, J. | 登録日 | 2017-09-20 | 公開日 | 2018-09-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.088 Å) | 主引用文献 | Analysis of the Active Site Cysteine Residue of the Sacrificial Sulfur Insertase LarE from Lactobacillus plantarum. Biochemistry, 57, 2018
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8RFF
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![BU of 8rff by Molmil](/molmil-images/mine/8rff) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 6A6 refined against the anomalous diffraction data | 分子名称: | 1,3-benzothiazol-2-amine, Host translation inhibitor nsp1 | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | 登録日 | 2023-12-12 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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5F9F
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![BU of 5f9f by Molmil](/molmil-images/mine/5f9f) | Crystal structure of RIG-I helicase-RD in complex with 24-mer blunt-end hairpin RNA | 分子名称: | (R,R)-2,3-BUTANEDIOL, MAGNESIUM ION, Probable ATP-dependent RNA helicase DDX58, ... | 著者 | Wang, C, Marcotrigiano, J, Miller, M.T, Jiang, F. | 登録日 | 2015-12-09 | 公開日 | 2016-01-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | 主引用文献 | Structural basis for m7G recognition and 2'-O-methyl discrimination in capped RNAs by the innate immune receptor RIG-I. Proc.Natl.Acad.Sci.USA, 113, 2016
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6PP3
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![BU of 6pp3 by Molmil](/molmil-images/mine/6pp3) | Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl)-4-methylquinolin-2-amine | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2019-07-05 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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8A2W
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8RF6
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![BU of 8rf6 by Molmil](/molmil-images/mine/8rf6) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7_AL5 refined against the anomalous diffraction data | 分子名称: | 6-iodanyl-2,3-dihydro-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1 | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | 登録日 | 2023-12-12 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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6J1L
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![BU of 6j1l by Molmil](/molmil-images/mine/6j1l) | Crystal Structure Analysis of the ROR gamma(C455E) | 分子名称: | 2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide, Nuclear receptor ROR-gamma | 著者 | zhang, Y, Li, C.C, wu, X.S. | 登録日 | 2018-12-28 | 公開日 | 2019-05-01 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable ROR gamma Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer. J.Med.Chem., 62, 2019
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7ZLZ
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![BU of 7zlz by Molmil](/molmil-images/mine/7zlz) | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, Steroid C26-monooxygenase, ... | 著者 | Snee, M, Katariya, M, Levy, C, Leys, D. | 登録日 | 2022-04-17 | 公開日 | 2023-04-05 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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5FAG
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8RLN
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![BU of 8rln by Molmil](/molmil-images/mine/8rln) | Crystal structure of human adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with the partial antagonist LUF5834 at the orthosteric pocket | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-azanyl-4-(4-hydroxyphenyl)-6-(1~{H}-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile, ... | 著者 | Strater, N, Claff, T, Weisse, R.H, Muller, C.E. | 登録日 | 2024-01-03 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Structural Insights into Partial Activation of the Prototypic G Protein-Coupled Adenosine A 2A Receptor. Acs Pharmacol Transl Sci, 7, 2024
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6F8J
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![BU of 6f8j by Molmil](/molmil-images/mine/6f8j) | Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-(1H-pyrazol-1-yl)-N-(pyridin-3-yl)pyridine-3-carboxamide | 分子名称: | 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B | 著者 | Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G. | 登録日 | 2017-12-13 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase. Bioorg.Med.Chem., 27, 2019
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7L63
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8QOM
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6J6M
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![BU of 6j6m by Molmil](/molmil-images/mine/6j6m) | Co-crystal structure of BTK kinase domain with Zanubrutinib | 分子名称: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK | 著者 | Zhou, X, Hong, Y. | 登録日 | 2019-01-15 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J.Med.Chem., 62, 2019
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