4XIX
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![BU of 4xix by Molmil](/molmil-images/mine/4xix) | Carbonic anhydrase Cah3 from Chlamydomonas reinhardtii in complex with phosphate. | 分子名称: | Carbonic anhydrase, alpha type, DIHYDROGENPHOSPHATE ION, ... | 著者 | Hainzl, T, Grundstrom, C, Benlloch, R, Shevela, D, Shutova, T, Messinger, J, Samuelsson, G, Sauer-Eriksson, A.E. | 登録日 | 2015-01-08 | 公開日 | 2015-02-11 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal Structure and Functional Characterization of Photosystem II-Associated Carbonic Anhydrase CAH3 in Chlamydomonas reinhardtii. Plant Physiol., 167, 2015
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5LSM
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4ZBN
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8EHR
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![BU of 8ehr by Molmil](/molmil-images/mine/8ehr) | |
8EHT
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6ODC
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![BU of 6odc by Molmil](/molmil-images/mine/6odc) | Crystal structure of HDAC8 in complex with compound 30 | 分子名称: | (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ... | 著者 | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | 登録日 | 2019-03-26 | 公開日 | 2020-04-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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6E58
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![BU of 6e58 by Molmil](/molmil-images/mine/6e58) | Crystal structure of Streptococcus pyogenes endo-beta-N-acetylglucosaminidase (EndoS2) | 分子名称: | CALCIUM ION, Secreted Endo-beta-N-acetylglucosaminidase (EndoS) | 著者 | Klontz, E.H, Trastoy, B, Gunther, S, Guerin, M.E, Sundberg, E.J. | 登録日 | 2018-07-19 | 公開日 | 2019-02-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Molecular Basis of Broad SpectrumN-Glycan Specificity and Processing of Therapeutic IgG Monoclonal Antibodies by Endoglycosidase S2. ACS Cent Sci, 5, 2019
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6UB4
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![BU of 6ub4 by Molmil](/molmil-images/mine/6ub4) | Crystal structure (C2 form) of a GH128 (subgroup IV) endo-beta-1,3-glucanase from Lentinula edodes (LeGH128_IV) in complex with laminaritriose | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCOSIDE HYDROLASE, ... | 著者 | Santos, C.R, Lima, E.A, Mandelli, F, Murakami, M.T. | 登録日 | 2019-09-11 | 公開日 | 2020-05-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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5LXS
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![BU of 5lxs by Molmil](/molmil-images/mine/5lxs) | Tubulin-KS-1-199-32 complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Prota, A.E, Steinmetz, M.O. | 登録日 | 2016-09-22 | 公開日 | 2017-09-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural Basis of Microtubule Stabilization by Discodermolide. Chembiochem, 18, 2017
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6ODA
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![BU of 6oda by Molmil](/molmil-images/mine/6oda) | Crystal structure of HDAC8 in complex with compound 2 | 分子名称: | Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... | 著者 | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | 登録日 | 2019-03-26 | 公開日 | 2020-04-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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7S51
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![BU of 7s51 by Molmil](/molmil-images/mine/7s51) | Structure of C208A Sortase A from Streptococcus pyogenes bound to LPATA peptide | 分子名称: | LEU-PRO-ALA-THR-ALA, Sortase | 著者 | Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F. | 登録日 | 2021-09-09 | 公開日 | 2022-09-07 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition. J.Biol.Chem., 298, 2022
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7S4O
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![BU of 7s4o by Molmil](/molmil-images/mine/7s4o) | Structure of C208A Sortase A from Streptococcus pyogenes bound to LPATS peptide | 分子名称: | LEU-PRO-ALA-THR-SER-GLY, Sortase | 著者 | Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F. | 登録日 | 2021-09-09 | 公開日 | 2022-09-07 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.396 Å) | 主引用文献 | Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition. J.Biol.Chem., 298, 2022
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5LIH
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![BU of 5lih by Molmil](/molmil-images/mine/5lih) | Structure of a peptide-substrate bound to PKCiota core kinase domain | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MANGANESE (II) ION, ... | 著者 | Soriano, E.V, Purkiss, A.G, McDonald, N.Q. | 登録日 | 2016-07-14 | 公開日 | 2016-09-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | aPKC Inhibition by Par3 CR3 Flanking Regions Controls Substrate Access and Underpins Apical-Junctional Polarization. Dev.Cell, 38, 2016
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7A4O
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8P4X
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![BU of 8p4x by Molmil](/molmil-images/mine/8p4x) | FAD_ox bound dark state structure of PdLCry | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, Putative light-receptive cryptochrome (Fragment) | 著者 | Behrmann, E, Behrmann, H. | 登録日 | 2023-05-23 | 公開日 | 2023-11-08 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.57 Å) | 主引用文献 | A marine cryptochrome with an inverse photo-oligomerization mechanism. Nat Commun, 14, 2023
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5M4V
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![BU of 5m4v by Molmil](/molmil-images/mine/5m4v) | X-ray structure of the mambaquaretin-1, a selective antagonist of the vasopressin type 2 receptor | 分子名称: | CHLORIDE ION, Mambaquaretin-1, S-1,2-PROPANEDIOL | 著者 | Stura, E.A, Vera, L, Ciolek, J, Mourier, G, Gilles, N. | 登録日 | 2016-10-19 | 公開日 | 2017-05-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Green mamba peptide targets type-2 vasopressin receptor against polycystic kidney disease. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7SBZ
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7A4R
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![BU of 7a4r by Molmil](/molmil-images/mine/7a4r) | Structure of DYRK1A in complex with compound 1 | 分子名称: | 2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | 登録日 | 2020-08-20 | 公開日 | 2021-06-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A55
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7A52
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![BU of 7a52 by Molmil](/molmil-images/mine/7a52) | Structure of DYRK1A in complex with compound 6 | 分子名称: | 3-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | 著者 | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | 登録日 | 2020-08-20 | 公開日 | 2021-06-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A4W
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7A5N
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![BU of 7a5n by Molmil](/molmil-images/mine/7a5n) | Structure of DYRK1A in complex with compound 34 | 分子名称: | 5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | 登録日 | 2020-08-21 | 公開日 | 2021-06-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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6OPU
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![BU of 6opu by Molmil](/molmil-images/mine/6opu) | HIV-1 Protease NL4-3 K45I, M46I, V82F, I84V Mutant in complex with darunavir | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | 登録日 | 2019-04-25 | 公開日 | 2019-09-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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6I8B
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![BU of 6i8b by Molmil](/molmil-images/mine/6i8b) | Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn | 分子名称: | 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ... | 著者 | Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | 登録日 | 2018-11-19 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
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6OPY
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![BU of 6opy by Molmil](/molmil-images/mine/6opy) | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, A71V, L76V, V82F, I84V Mutant in complex with darunavir | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | 登録日 | 2019-04-25 | 公開日 | 2019-09-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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