6U7N
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![BU of 6u7n by Molmil](/molmil-images/mine/6u7n) | Crystal structure of neurotrimin (NTM) | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Neurotrimin, ... | 著者 | Machius, M, Venkannagari, H, Misra, A, Rudenko, G, Rush, S. | 登録日 | 2019-09-03 | 公開日 | 2020-08-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.321 Å) | 主引用文献 | Highly Conserved Molecular Features in IgLONs Contrast Their Distinct Structural and Biological Outcomes. J.Mol.Biol., 432, 2020
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1BJR
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![BU of 1bjr by Molmil](/molmil-images/mine/1bjr) | COMPLEX FORMED BETWEEN PROTEOLYTICALLY GENERATED LACTOFERRIN FRAGMENT AND PROTEINASE K | 分子名称: | CALCIUM ION, LACTOFERRIN, PROTEINASE K | 著者 | Singh, T.P, Sharma, S, Karthikeyan, S, Betzel, C, Bhatia, K.L. | 登録日 | 1998-06-27 | 公開日 | 1998-11-04 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Crystal structure of a complex formed between proteolytically-generated lactoferrin fragment and proteinase K. Proteins, 33, 1998
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6KZQ
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![BU of 6kzq by Molmil](/molmil-images/mine/6kzq) | structure of PTP-MEG2 and NSF-pY83 peptide complex | 分子名称: | NSF-pY83 peptide, Tyrosine-protein phosphatase non-receptor type 9 | 著者 | Xu, Y.F, Chen, X, Yu, X, Sun, J.P. | 登録日 | 2019-09-25 | 公開日 | 2020-09-30 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | PTP-MEG2 regulates quantal size and fusion pore opening through two distinct structural bases and substrates. Embo Rep., 22, 2021
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6L03
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![BU of 6l03 by Molmil](/molmil-images/mine/6l03) | structure of PTP-MEG2 and MUNC18-1-pY145 peptide complex | 分子名称: | Tyrosine-protein phosphatase non-receptor type 9, stxbp1-pY145 peptide | 著者 | Xu, Y.F, Chen, X, Yu, X, Sun, J.P. | 登録日 | 2019-09-25 | 公開日 | 2020-09-30 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.084 Å) | 主引用文献 | PTP-MEG2 regulates quantal size and fusion pore opening through two distinct structural bases and substrates. Embo Rep., 22, 2021
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8UH7
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![BU of 8uh7 by Molmil](/molmil-images/mine/8uh7) | Structure of T4 Bacteriophage clamp loader bound to the T4 clamp, primer-template DNA, and ATP analog | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Primer DNA strand, ... | 著者 | Gee, C.L, Marcus, K, Kelch, B.A, Makino, D.L. | 登録日 | 2023-10-07 | 公開日 | 2023-12-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.628 Å) | 主引用文献 | Autoinhibition of a clamp-loader ATPase revealed by deep mutagenesis and cryo-EM. Nat.Struct.Mol.Biol., 31, 2024
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8JBO
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![BU of 8jbo by Molmil](/molmil-images/mine/8jbo) | Crystal structure of TxGH116 from Thermoanaerobacterium xylanolyticum with isofagomine | 分子名称: | 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, CALCIUM ION, ... | 著者 | Pengthaisong, S, Ketudat Cairns, J.R. | 登録日 | 2023-05-09 | 公開日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis for inhibition of a GH116 beta-glucosidase and its missense mutants by GBA2 inhibitors: Crystallographic and quantum chemical study. Chem.Biol.Interact., 384, 2023
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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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6L4Q
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![BU of 6l4q by Molmil](/molmil-images/mine/6l4q) | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Clado-B | 分子名称: | (3R)-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase | 著者 | Babbar, P, Sharma, A, Manickam, Y, Mishra, S, Harlos, K. | 登録日 | 2019-10-19 | 公開日 | 2021-05-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin inhibitor, Cla-B Chembiochem, 2021
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6L3Y
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![BU of 6l3y by Molmil](/molmil-images/mine/6l3y) | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Clado-C | 分子名称: | (3R)-3-[[(3S)-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase, ... | 著者 | Babbar, P, Sharma, A, Mishra, S, Manickam, Y, Harlos, K. | 登録日 | 2019-10-15 | 公開日 | 2021-05-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin inhibitor, Cla-B Chembiochem, 2021
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8J2F
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![BU of 8j2f by Molmil](/molmil-images/mine/8j2f) | Human neutral shpingomyelinase | 分子名称: | HEPTANE, MAGNESIUM ION, Sphingomyelin phosphodiesterase 2, ... | 著者 | Zhang, S.S. | 登録日 | 2023-04-14 | 公開日 | 2023-12-06 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | 主引用文献 | Molecular basis for the catalytic mechanism of human neutral sphingomyelinases 1 (hSMPD2). Nat Commun, 14, 2023
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5GNK
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![BU of 5gnk by Molmil](/molmil-images/mine/5gnk) | Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34 | 分子名称: | 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ... | 著者 | Yan, X.E, Yun, C.H. | 登録日 | 2016-07-21 | 公開日 | 2017-04-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.796 Å) | 主引用文献 | Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode. J. Med. Chem., 60, 2017
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3JTY
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![BU of 3jty by Molmil](/molmil-images/mine/3jty) | Crystal structure of a BenF-like porin from Pseudomonas fluorescens Pf-5 | 分子名称: | BenF-like porin, LAURYL DIMETHYLAMINE-N-OXIDE | 著者 | Sampathkumar, P, Lu, F, Zhao, X, Wasserman, S, Iuzuka, M, Bain, K, Rutter, M, Gheyi, T, Atwell, S, Luz, J, Gilmore, J, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2009-09-14 | 公開日 | 2009-10-20 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Structure of a putative BenF-like porin from Pseudomonas fluorescens Pf-5 at 2.6 A resolution. Proteins, 78, 2010
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8JJ9
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6B7G
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![BU of 6b7g by Molmil](/molmil-images/mine/6b7g) | Solution NMR structure of BCoR in complex with AF9 (BCoR-AF9) | 分子名称: | BCL-6 corepressor, Protein AF-9 | 著者 | Schmidt, C.R, Kuntimaddi, A, Leach, B.I, Bushweller, J.H. | 登録日 | 2017-10-04 | 公開日 | 2018-10-10 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | BCOR Binding to MLL-AF9 Is Essential for Leukemia via Altered EYA1, SIX, and MYC Activity. Blood Cancer Discov, 1, 2020
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8XFB
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6BS5
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![BU of 6bs5 by Molmil](/molmil-images/mine/6bs5) | Crystal structure of AMP-PNP-bound bacterial Get3-like A and B in Mycobacterium tuberculosis | 分子名称: | Anion transporter, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | 著者 | Li, H, Hu, K, Kovach, A. | 登録日 | 2017-12-01 | 公開日 | 2019-05-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Characterization of Guided Entry of Tail-Anchored Proteins 3 Homologues in Mycobacterium tuberculosis. J.Bacteriol., 201, 2019
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8Z9M
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5GTY
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![BU of 5gty by Molmil](/molmil-images/mine/5gty) | Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26 | 分子名称: | 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor | 著者 | Yan, X.E, Yun, C.H. | 登録日 | 2016-08-23 | 公開日 | 2017-09-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | 主引用文献 | Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode. Oncotarget, 8, 2017
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6BS4
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![BU of 6bs4 by Molmil](/molmil-images/mine/6bs4) | Crystal structure of ATPgammaS-bound bacterial Get3-like A and B in Mycobacterium tuberculosis | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Anion transporter, MAGNESIUM ION, ... | 著者 | Li, H, Hu, K, Kovach, A. | 登録日 | 2017-12-01 | 公開日 | 2019-05-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Characterization of Guided Entry of Tail-Anchored Proteins 3 Homologues in Mycobacterium tuberculosis. J.Bacteriol., 201, 2019
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1Z3C
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![BU of 1z3c by Molmil](/molmil-images/mine/1z3c) | Encephalitozooan cuniculi mRNA Cap (Guanine-N7) Methyltransferasein complexed with AzoAdoMet | 分子名称: | S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE, mRNA CAPPING ENZYME | 著者 | Hausmann, S, Zhang, S, Fabrega, C, Schneller, S.W, Lima, C.D, Shuman, S. | 登録日 | 2005-03-11 | 公開日 | 2005-03-22 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Encephalitozoon cuniculi mRNA cap (guanine N-7) methyltransferase: methyl acceptor specificity, inhibition BY S-adenosylmethionine analogs, and structure-guided mutational analysis. J.Biol.Chem., 280, 2005
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6NAO
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![BU of 6nao by Molmil](/molmil-images/mine/6nao) | Discovery of a high affinity inhibitor of cGAS | 分子名称: | (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION | 著者 | Hall, J. | 登録日 | 2018-12-06 | 公開日 | 2018-12-19 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3.23 Å) | 主引用文献 | Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay. PLoS ONE, 12, 2017
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6NDT
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5H1V
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![BU of 5h1v by Molmil](/molmil-images/mine/5h1v) | Complex structure of TRIM24 PHD-bromodomain and inhibitor 6 | 分子名称: | 2-Hydrazino-1,3-benzothiazole-6-carbohydrazide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ... | 著者 | Liu, J. | 登録日 | 2016-10-11 | 公開日 | 2017-02-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.002 Å) | 主引用文献 | The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network FEBS J., 284, 2017
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7R9C
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![BU of 7r9c by Molmil](/molmil-images/mine/7r9c) | Cocrystal of BRD4(D1) with N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | 著者 | Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K. | 登録日 | 2021-06-29 | 公開日 | 2022-01-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes. J.Med.Chem., 65, 2022
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5Z15
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![BU of 5z15 by Molmil](/molmil-images/mine/5z15) | Crystal structure of human TLR8 in complex with CU-CPT9c | 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, 4-(7-chloranylquinolin-4-yl)-2-methyl-phenol, ... | 著者 | Tanji, H, Ohto, U, Shimizu, T. | 登録日 | 2017-12-25 | 公開日 | 2018-07-04 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Inhibition of Toll-like Receptor 8 by Specifically Targeting a Unique Allosteric Site and Locking Its Resting State To Be Published
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