6PVY
 
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6Z4D
 | | Crystal Structure of EGFR-T790M/V948R in Complex with Mavelertinib and EAI001 | | 分子名称: | (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide, ... | | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | | 登録日 | 2020-05-25 | | 公開日 | 2020-11-11 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Complex Crystal Structures of EGFR with Third-Generation Kinase Inhibitors and Simultaneously Bound Allosteric Ligands.
Acs Med.Chem.Lett., 11, 2020
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6FGE
 | | Crystal structure of human ZUFSP/ZUP1 in complex with ubiquitin | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, AMMONIUM ION, ... | | 著者 | Kwasna, D, Abdul Rehman, S.A, Kulathu, Y. | | 登録日 | 2018-01-10 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Discovery and Characterization of ZUFSP/ZUP1, a Distinct Deubiquitinase Class Important for Genome Stability.
Mol. Cell, 70, 2018
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8BDG
 | | Tubulin-taxane-2b complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | | 登録日 | 2022-10-19 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
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8BXV
 | | Crystal structure of Odorant Binding Protein 5 from Anopheles gambiae (AgamOBP5) with Thymol | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-METHYL-2-(1-METHYLETHYL)PHENOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Liggri, P.G.V, Tsitsanou, K.E, Zographos, S.E. | | 登録日 | 2022-12-10 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | The structure of AgamOBP5 in complex with the natural insect repellents Carvacrol and Thymol: Crystallographic, fluorescence and thermodynamic binding studies.
Int.J.Biol.Macromol., 237, 2023
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5J7P
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6PYX
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7KJD
 | | F96M epi-isozizaene synthase: complex with 3 Mg2+ and risedronate | | 分子名称: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, MAGNESIUM ION, SULFATE ION, ... | | 著者 | Ronnebaum, T.A, Gardner, S.M, Christianson, D.W. | | 登録日 | 2020-10-26 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
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8BDE
 | | Tubulin-baccatin III complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | | 登録日 | 2022-10-19 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | | 主引用文献 | Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
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5FQP
 | | Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 1. | | 分子名称: | (E)-3-[4-[(1R,3R)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR ALPHA | | 著者 | Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D. | | 登録日 | 2015-12-14 | | 公開日 | 2016-02-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat.
Acs Med.Chem.Lett., 7, 2016
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6HH1
 | | Structure of c-Kit with allosteric inhibitor 3G8 | | 分子名称: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, PHOSPHATE ION, ~{N}-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-4~{H}-1,2,4-triazol-3-amine | | 著者 | Wrasidlo, W.J, Cheresh, D.A. | | 登録日 | 2018-08-24 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structure of c-Kit with allosteric inhibitor 3G8
To Be Published
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4YJW
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3JQL
 | | Crystal Structure of the Complex Formed Between Phospholipase A2 and a Hexapeptide Fragment of Amyloid Beta Peptide, Lys-Leu-Val-Phe-Phe-Ala at 1.2 A Resolution | | 分子名称: | Acidic phospholipase A2 3 (Fragment), Amyloid Beta Peptide, CALCIUM ION | | 著者 | Mirza, Z, Vikram, G, Singh, N, Sinha, M, Sharma, S, Srinivasan, A, Kaur, P, Singh, T.P. | | 登録日 | 2009-09-07 | | 公開日 | 2009-09-29 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal Structure of the Complex Formed Between Phospholipase A2 and a Hexapeptide Fragment of Amyloid Beta Peptide, Lys-Leu-Val-Phe-Phe-Ala at 1.2 A Resolution
To be Published
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6Q30
 | | Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 5 | | 分子名称: | (7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide, CALCIUM ION, Metallo-beta-lactamase type 2, ... | | 著者 | Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Celenza, G, Venturelli, A, Costi, M.P, Tondi, D, Cendron, L. | | 登録日 | 2018-12-03 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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7KZ7
 | | Crystals Structure of the Mutated Protease Domain of Botulinum Neurotoxin X (X4130B1). | | 分子名称: | 1,2-ETHANEDIOL, Botulinum neurotoxin type X, GLYCEROL, ... | | 著者 | Blum, T.R, Liu, H, Packer, M.S, Xiong, X, Lee, P.G, Zhang, S, Richter, M, Minasov, G, Satchell, K.J.F, Dong, M, Liu, D.R, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-12-10 | | 公開日 | 2020-12-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Phage-assisted evolution of botulinum neurotoxin proteases with reprogrammed specificity.
Science, 371, 2021
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8PIW
 | | Crystal structure of Hen Egg White Lysozyme co-crystallized with 10 mM TbXo4-NMet2 | | 分子名称: | 6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-[3-(dimethylamino)propyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid, CHLORIDE ION, Lysozyme C, ... | | 著者 | Alsalman, Z, Girard, E. | | 登録日 | 2023-06-22 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Influence of Chemical Modifications of the Crystallophore on Protein Nucleating Properties and Supramolecular Interactions Network.
Chemistry, 30, 2024
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5X4P
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 6 | | 分子名称: | 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein | | 著者 | Sogabe, S, Ida, K, Lane, W, Snell, G. | | 登録日 | 2017-02-13 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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8A0D
 | | Crystal structure of the major guinea pig allergen Cav p 1.0101 part of the lipocalin family | | 分子名称: | Allergen lipocalin Cav p 1 isoform 1 | | 著者 | Herman, R, Charlier, P, Janssen-Weets, B, Hilger, C, Swiontek, K. | | 登録日 | 2022-05-27 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.685 Å) | | 主引用文献 | Mammalian derived lipocalin and secretoglobin respiratory allergens strongly bind ligands with potentially immune modulating properties.
Front Allergy, 3, 2022
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8DHU
 | | Crystal structure of LARP-DM15 from Drosophila melanogaster bound to m7GpppC | | 分子名称: | La-related protein 1, MAGNESIUM ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | | 著者 | Nguyen, E, Berman, A.J. | | 登録日 | 2022-06-28 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.295 Å) | | 主引用文献 | Comparative analysis of the LARP1 C-terminal DM15 region through Coelomate evolution.
Plos One, 19, 2024
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8UO9
 | | Structure of synaptic vesicle protein 2A in complex with a nanobody | | 分子名称: | (4S)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(4,4,4-trifluorobutyl)pyrrolidin-2-one, 1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE], 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Mittal, A, Martin, M.F, Levin, E, Adams, C, Yang, M, Ledecq, M, Horanyi, P.S, Coleman, J.A. | | 登録日 | 2023-10-19 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-12-25 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structures of synaptic vesicle protein 2A and 2B bound to anticonvulsants.
Nat.Struct.Mol.Biol., 31, 2024
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9IKQ
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5DZA
 | | Streptococcus agalactiae AgI/II polypeptide BspA C terminal domain (WT) | | 分子名称: | 1,2-ETHANEDIOL, BspA, DI(HYDROXYETHYL)ETHER | | 著者 | Rego, S, Till, M, Race, P.R. | | 登録日 | 2015-09-25 | | 公開日 | 2016-06-22 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Structural and Functional Analysis of Cell Wall-anchored Polypeptide Adhesin BspA in Streptococcus agalactiae.
J.Biol.Chem., 291, 2016
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5LD8
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7ZYR
 | | Compound 20 Bound to CK2alpha | | 分子名称: | 5-bromanyl-6-chloranyl-3-(1~{H}-pyrrol-2-ylmethyl)-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Brear, P, Hyvonen, M. | | 登録日 | 2022-05-25 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
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8B5K
 | | Structure of haloalkane dehalogenase DmmarA from Mycobacterium marinum at pH 6.5 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ... | | 著者 | Snajdarova, K, Marek, M. | | 登録日 | 2022-09-23 | | 公開日 | 2023-08-30 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.849 Å) | | 主引用文献 | Atypical homodimerization revealed by the structure of the (S)-enantioselective haloalkane dehalogenase DmmarA from Mycobacterium marinum.
Acta Crystallogr D Struct Biol, 79, 2023
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