7A4D
 
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7T67
 | | SARS-CoV-2 S (Spike Glycoprotein) D614G with One(1) RBD Up | | 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, Spike glycoprotein | | 著者 | Byrne, P.O, McLellan, J.S. | | 登録日 | 2021-12-13 | | 公開日 | 2022-08-24 | | 最終更新日 | 2025-05-28 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | IgG-like bispecific antibodies with potent and synergistic neutralization against circulating SARS-CoV-2 variants of concern.
Nat Commun, 13, 2022
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3D8W
 | | Use of a carbonic Anhydrase II, IX Active-site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | | 分子名称: | 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase II, ZINC ION | | 著者 | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | | 登録日 | 2008-05-26 | | 公開日 | 2009-03-03 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
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5IS4
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8Q3D
 | | HsNMT1 in complex with both MyrCoA and GNCFSKPR(NH2) inhibitor peptide | | 分子名称: | CHLORIDE ION, COENZYME A, GLYCEROL, ... | | 著者 | Dian, C, Giglione, C, Meinnel, T. | | 登録日 | 2023-08-04 | | 公開日 | 2024-08-14 | | 最終更新日 | 2025-02-26 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Novel, tightly structurally related N-myristoyltransferase inhibitors display equally potent yet distinct inhibitory mechanisms.
Structure, 32, 2024
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5KX7
 | | Irak4-inhibitor co-structure | | 分子名称: | Interleukin-1 receptor-associated kinase 4, ~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide | | 著者 | Fischmann, T.O. | | 登録日 | 2016-07-20 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Efforts towards the optimization of a bi-aryl class of potent IRAK4 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5I9I
 | | Crystal structure of LP_PLA2 in complex with Darapladib | | 分子名称: | N-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{[ 4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide, Platelet-activating factor acetylhydrolase, SULFATE ION | | 著者 | Liu, Q.F, Xu, Y.C. | | 登録日 | 2016-02-20 | | 公開日 | 2016-06-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural and Thermodynamic Characterization of Protein-Ligand Interactions Formed between Lipoprotein-Associated Phospholipase A2 and Inhibitors
J.Med.Chem., 59, 2016
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4XV3
 | | B-Raf Kinase V600E oncogenic mutant in complex with PLX7922 | | 分子名称: | N'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf | | 著者 | Zhang, Y, Zhang, C. | | 登録日 | 2015-01-26 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
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8BUX
 | | Rab-binding domain of human MiniBAR | | 分子名称: | 1,2-ETHANEDIOL, Granule associated Rac and RHOG effector protein 1, MAGNESIUM ION, ... | | 著者 | Pylypenko, O, Hammich, H, Houdusse, A. | | 登録日 | 2022-12-01 | | 公開日 | 2023-12-13 | | 最終更新日 | 2025-06-25 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | MiniBAR/GARRE1 is a dual Rac and Rab effector required for ciliogenesis.
Dev.Cell, 58, 2023
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3TX6
 | | The Structure of a putative ABC-transporter periplasmic component from Rhodopseudomonas palustris | | 分子名称: | 1,2-ETHANEDIOL, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, ACETIC ACID, ... | | 著者 | Cuff, M.E, Mack, J.C, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2011-09-22 | | 公開日 | 2011-11-09 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-Coumaric acid and related aromatic acids.
Proteins, 81, 2013
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6M60
 | | Plumbagin in complex with CRM1#-Ran-RanBP1 | | 分子名称: | (2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Sun, Q, Lei, Y. | | 登録日 | 2020-03-12 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
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7PUP
 | | INOSITOL 1,3,4-TRISPHOSPHATE 5/6-KINASE 4 from Arabidopsis thaliana (AtITPK4) in complex with ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Inositol 1,3,4-trisphosphate 5/6-kinase 4 | | 著者 | Whitfield, H, He, S, Brearley, C.A, Hemmings, A.M. | | 登録日 | 2021-09-30 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Diversification in the inositol tris/tetrakisphosphate kinase (ITPK) family: crystal structure and enzymology of the outlier AtITPK4.
Biochem.J., 480, 2023
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6V3H
 | | Structure of NPC1-like intracellular cholesterol transporter 1 (NPC1L1) in complex with an ezetimibe analog | | 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-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-{3-[(methylsulfonyl)amino]prop-1-yn-1-yl}phenyl)-4-oxoazetidin-2-yl]phenyl beta-D-glucopyranosiduronic acid, ... | | 著者 | Huang, C.S, Yu, X, Min, X, Wang, Z. | | 登録日 | 2019-11-25 | | 公開日 | 2020-07-01 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Cryo-EM structures of NPC1L1 reveal mechanisms of cholesterol transport and ezetimibe inhibition
Sci Adv, 6, 2020
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5W2O
 | | Crystal structure of Mycobacterium tuberculosis KasA | | 分子名称: | 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, CHLORIDE ION, ... | | 著者 | Capodagli, G.C, Neiditch, M.B. | | 登録日 | 2017-06-06 | | 公開日 | 2018-12-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
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7ZXE
 | | Structure of SNAPc containing Pol II pre-initiation complex bound to U1 snRNA promoter (OC) | | 分子名称: | Non-template strand, TATA-box-binding protein, Template strand, ... | | 著者 | Rengachari, S, Schilbach, S, Kaliyappan, T, Gouge, J, Zumer, K, Schwarz, J, Urlaub, H, Dienemann, C, Vannini, A, Cramer, P. | | 登録日 | 2022-05-20 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structural basis of SNAPc-dependent snRNA transcription initiation by RNA polymerase II.
Nat.Struct.Mol.Biol., 29, 2022
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7ZWC
 | | Structure of SNAPc:TBP-TFIIA-TFIIB sub-complex bound to U5 snRNA promoter | | 分子名称: | Non-template strand, TATA-box-binding protein, Template strand, ... | | 著者 | Rengachari, S, Schilbach, S, Kaliyappan, T, Gouge, J, Zumer, K, Schwarz, J, Urlaub, H, Dienemann, C, Vannini, A, Cramer, P. | | 登録日 | 2022-05-19 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural basis of SNAPc-dependent snRNA transcription initiation by RNA polymerase II.
Nat.Struct.Mol.Biol., 29, 2022
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8BVA
 | | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 in complex with RSF1_114-126 | | 分子名称: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, L(+)-TARTARIC ACID, POTASSIUM ION, ... | | 著者 | Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J. | | 登録日 | 2022-12-02 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 in complex with RSF1_114-126
To Be Published
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5W0A
 | | Crystal structure of Trichoderma harzianum endoglucanase I | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucanase, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Godoy, A.S, Pellegrini, V.O.A, Sonoda, M.T, Kadowaki, M.A, Nascimento, A.S, Polikarpov, I. | | 登録日 | 2017-05-30 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.898 Å) | | 主引用文献 | Structure and dynamics of Trichoderma harzianum Cel7B suggest molecular architecture adaptations required for a wide spectrum of activities on plant cell wall polysaccharides.
Biochim Biophys Acta Gen Subj, 1863, 2019
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8QCC
 | | E.coli IspE in complex with a ligand (1) | | 分子名称: | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Hamid, R. | | 登録日 | 2023-08-25 | | 公開日 | 2024-09-11 | | 最終更新日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | IspE kinase as an anti-infective target: Role of a hydrophobic pocket in inhibitor binding.
Structure, 32, 2024
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5LBX
 | | Structure of the T175V Etr1p mutant in the trigonal form P312 in complex with NADP and crotonyl-CoA | | 分子名称: | CHLORIDE ION, CROTONYL COENZYME A, Enoyl-[acyl-carrier-protein] reductase [NADPH, ... | | 著者 | Wagner, T, Rosenthal, R.G, Voegeli, B, Shima, S, Erb, T.J. | | 登録日 | 2016-06-17 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A conserved threonine prevents self-intoxication of enoyl-thioester reductases.
Nat. Chem. Biol., 13, 2017
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9BX7
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8QDW
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3DBU
 | | Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | | 分子名称: | 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | | 登録日 | 2008-06-02 | | 公開日 | 2009-03-03 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
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6S14
 | | Crystal Structure of DYRK1A with small molecule inhibitor | | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine | | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | | 登録日 | 2019-06-18 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Kinase Scaffold Repurposing in the Public Domain
To be published
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5YC7
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