8GUM
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8BAL
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8A59
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![BU of 8a59 by Molmil](/molmil-images/mine/8a59) | C-type lectin-like domain (CTLD) and Sushi-like domain of human CD93 | 分子名称: | Complement component C1q receptor, GLYCEROL, SULFATE ION | 著者 | Tassone, G, Barbera, S, Raucci, L, Orlandini, M, Pozzi, C. | 登録日 | 2022-06-14 | 公開日 | 2022-11-02 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Dimerization of the C-type lectin-like receptor CD93 promotes its binding to Multimerin-2 in endothelial cells. Int.J.Biol.Macromol., 224, 2023
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8BBL
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![BU of 8bbl by Molmil](/molmil-images/mine/8bbl) | SGL a GH20 family sulfoglycosidase | 分子名称: | Beta-N-acetylhexosaminidase | 著者 | Dong, M.D, Roth, C.R, Jin, Y.J. | 登録日 | 2022-10-13 | 公開日 | 2023-01-11 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.711 Å) | 主引用文献 | Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases Acs Catalysis, 2022
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5HIE
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![BU of 5hie by Molmil](/molmil-images/mine/5hie) | BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib | 分子名称: | Dabrafenib, Serine/threonine-protein kinase B-raf | 著者 | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | 登録日 | 2016-01-11 | 公開日 | 2016-04-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2. Cancer Cell, 29, 2016
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6SLG
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![BU of 6slg by Molmil](/molmil-images/mine/6slg) | HUMAN ERK2 WITH ERK1/2 INHIBITOR, AZD0364. | 分子名称: | (6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one, 1,2-ETHANEDIOL, ERK-tide, ... | 著者 | Breed, J, Phillips, C. | 登録日 | 2019-08-19 | 公開日 | 2019-11-20 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Discovery of a Potent and Selective Oral Inhibitor of ERK1/2 (AZD0364) That Is Efficacious in Both Monotherapy and Combination Therapy in Models of Nonsmall Cell Lung Cancer (NSCLC). J.Med.Chem., 62, 2019
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5HI2
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![BU of 5hi2 by Molmil](/molmil-images/mine/5hi2) | BRAF Kinase domain b3aC loop deletion mutant in complex with sorafenib | 分子名称: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Serine/threonine-protein kinase B-raf | 著者 | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | 登録日 | 2016-01-11 | 公開日 | 2016-04-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.512 Å) | 主引用文献 | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2. Cancer Cell, 29, 2016
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8BYP
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7N4S
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![BU of 7n4s by Molmil](/molmil-images/mine/7n4s) | Bruton's tyrosine kinase in complex with compound 65 | 分子名称: | (3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one, Tyrosine-protein kinase BTK | 著者 | Metrick, C.M, Marcotte, D.J. | 登録日 | 2021-06-04 | 公開日 | 2022-05-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
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7N4R
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![BU of 7n4r by Molmil](/molmil-images/mine/7n4r) | Bruton's tyrosine kinase in complex with compound 21 | 分子名称: | DIMETHYL SULFOXIDE, N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide, Tyrosine-protein kinase BTK | 著者 | Metrick, C.M, Marcotte, D.J. | 登録日 | 2021-06-04 | 公開日 | 2022-05-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
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7N4Q
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![BU of 7n4q by Molmil](/molmil-images/mine/7n4q) | Bruton's tyrosine kinase in complex with compound 45 | 分子名称: | (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide, Tyrosine-protein kinase BTK | 著者 | Metrick, C.M, Marcotte, D.J. | 登録日 | 2021-06-04 | 公開日 | 2022-05-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
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7O70
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![BU of 7o70 by Molmil](/molmil-images/mine/7o70) | KRasG12C ligand complex | 分子名称: | 1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2, CALCIUM ION, GTPase KRas, ... | 著者 | Phillips, C. | 登録日 | 2021-04-12 | 公開日 | 2022-04-20 | 最終更新日 | 2022-05-25 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C . J.Med.Chem., 65, 2022
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7O83
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![BU of 7o83 by Molmil](/molmil-images/mine/7o83) | KRasG12C ligand complex | 分子名称: | 1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Phillips, C, Breed, J. | 登録日 | 2021-04-14 | 公開日 | 2022-04-20 | 最終更新日 | 2022-05-25 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C . J.Med.Chem., 65, 2022
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7F9W
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![BU of 7f9w by Molmil](/molmil-images/mine/7f9w) | CD25 in complex with Fab | 分子名称: | Heavy chain of Fab, Interleukin-2 receptor subunit alpha, Light chain of Fab | 著者 | Liu, C. | 登録日 | 2021-07-05 | 公開日 | 2022-01-12 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Two novel human anti-CD25 antibodies with antitumor activity inversely related to their affinity and in vitro activity. Sci Rep, 11, 2021
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7EAN
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![BU of 7ean by Molmil](/molmil-images/mine/7ean) | immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 6D6 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 cross-neutralizing mAb 6D6, Light chain of SARS-CoV-2 cross-neutralizing mAb 6D6, ... | 著者 | Li, T.T, Gu, Y, Li, S.W. | 登録日 | 2021-03-07 | 公開日 | 2021-03-31 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants. Nat Commun, 12, 2021
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7OO7
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![BU of 7oo7 by Molmil](/molmil-images/mine/7oo7) | KRasG12C ligand complex | 分子名称: | 1-[(6aS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one, CALCIUM ION, GTPase KRas, ... | 著者 | Phillips, C. | 登録日 | 2021-05-26 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C . J.Med.Chem., 65, 2022
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7EAM
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![BU of 7eam by Molmil](/molmil-images/mine/7eam) | immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 7D6 | 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 protein S1, ... | 著者 | Li, T.T, Gu, Y, Li, S.W. | 登録日 | 2021-03-07 | 公開日 | 2021-03-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants. Nat Commun, 12, 2021
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8DSR
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![BU of 8dsr by Molmil](/molmil-images/mine/8dsr) | Structure of Plasmepsin X (PM10, PMX) from Plasmodium falciparum 3D7 in complex with UCB7362 | 分子名称: | (2E,6S)-6-{2-chloro-3-[(2-cyclopropylpyrimidin-5-yl)amino]phenyl}-2-imino-6-methyl-3-[(2S,4S)-2-methyloxan-4-yl]-1,3-diazinan-4-one, Plasmepsin X | 著者 | Abendroth, J, Lorimer, D.D. | 登録日 | 2022-07-22 | 公開日 | 2022-10-19 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Discovery and Characterization of Potent, Efficacious, Orally Available Antimalarial Plasmepsin X Inhibitors and Preclinical Safety Assessment of UCB7362 . J.Med.Chem., 65, 2022
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7XCZ
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7XDK
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![BU of 7xdk by Molmil](/molmil-images/mine/7xdk) | Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab | 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, BA7054 fab, ... | 著者 | Liu, Z, Lui, S, Gao, Y. | 登録日 | 2022-03-27 | 公開日 | 2023-03-01 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
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7XDA
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7XDB
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![BU of 7xdb by Molmil](/molmil-images/mine/7xdb) | Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 fab | 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, BA7208 fab, ... | 著者 | Liu, Z, Liu, S, Gao, Y.Z. | 登録日 | 2022-03-26 | 公開日 | 2023-03-01 | 実験手法 | ELECTRON MICROSCOPY (2.62 Å) | 主引用文献 | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
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7XDL
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![BU of 7xdl by Molmil](/molmil-images/mine/7xdl) | Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 fab | 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, BA7125 fab, ... | 著者 | Liu, Z, Liu, S, Yuanzhu, G. | 登録日 | 2022-03-27 | 公開日 | 2023-03-15 | 実験手法 | ELECTRON MICROSCOPY (3.08 Å) | 主引用文献 | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
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3PWH
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![BU of 3pwh by Molmil](/molmil-images/mine/3pwh) | Thermostabilised Adenosine A2A Receptor | 分子名称: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a | 著者 | Dore, A.S, Robertson, N, Errey, J.C, Ng, I, Tehan, B, Hurrell, E, Magnani, F, Tate, C.G, Weir, M, Marshall, F.H. | 登録日 | 2010-12-08 | 公開日 | 2011-09-07 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3.296 Å) | 主引用文献 | Structure of the adenosine A(2A) receptor in complex with ZM241385 and the xanthines XAC and caffeine Structure, 19, 2011
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6PYD
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![BU of 6pyd by Molmil](/molmil-images/mine/6pyd) | Structure of 3E9 antibody Fab bound to marinobufagenin | 分子名称: | (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide, 3E9 anti-marinobufagenin antibody Fab heavy chain, recloned with human IgG4 C region, ... | 著者 | Franklin, M.C, Macdonald, L.E, McWhirter, J, Murphy, A.J. | 登録日 | 2019-07-29 | 公開日 | 2019-12-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Kappa-on-Heavy (KoH) bodies are a distinct class of fully-human antibody-like therapeutic agents with antigen-binding properties. Proc.Natl.Acad.Sci.USA, 117, 2020
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