5XI4
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![BU of 5xi4 by Molmil](/molmil-images/mine/5xi4) | BRD4 bound with compound Bdi4 | 分子名称: | (3~{S})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | 著者 | Xiong, B, Cao, D, Li, Y. | 登録日 | 2017-04-25 | 公開日 | 2018-05-02 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.486 Å) | 主引用文献 | BRD4 bound with compound Bdi4 To Be Published
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8VOV
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![BU of 8vov by Molmil](/molmil-images/mine/8vov) | Structure of VCP in complex with an ATPase activator and ADP (D2 domains only, hexameric form) | 分子名称: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | 著者 | Jones, N.H, Urnivicius, L, Kapoor, T.M. | 登録日 | 2024-01-16 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry. Proc.Natl.Acad.Sci.USA, 121, 2024
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9FBY
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![BU of 9fby by Molmil](/molmil-images/mine/9fby) | |
8TPV
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![BU of 8tpv by Molmil](/molmil-images/mine/8tpv) | |
5XJS
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7KA4
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![BU of 7ka4 by Molmil](/molmil-images/mine/7ka4) | Aldolase, rabbit muscle (beam-tilt refinement x4) | 分子名称: | Fructose-bisphosphate aldolase A | 著者 | Kearns, S.K, Cash, J.N, Cianfrocco, M.A, Li, Y. | 登録日 | 2020-09-29 | 公開日 | 2020-12-02 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | High-resolution cryo-EM using beam-image shift at 200 keV. Iucrj, 7, 2020
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8VKU
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![BU of 8vku by Molmil](/molmil-images/mine/8vku) | Structure of VCP in complex with an ATPase activator (D2 domains only, hexameric form) | 分子名称: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, Transitional endoplasmic reticulum ATPase | 著者 | Jones, N.H, Urnivicius, L, Kapoor, T.M. | 登録日 | 2024-01-09 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry. Proc.Natl.Acad.Sci.USA, 121, 2024
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8WA8
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![BU of 8wa8 by Molmil](/molmil-images/mine/8wa8) | Human transketolase in complex with phosphite | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, PHOSPHITE ION, ... | 著者 | Liu, Z, Tittmann, K, Dai, S. | 登録日 | 2023-09-07 | 公開日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Multifaceted Role of the Substrate Phosphate Group in Transketolase Catalysis Acs Catalysis, 14, 2024
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8WNS
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![BU of 8wns by Molmil](/molmil-images/mine/8wns) | Cryo EM map of SLC7A10 in the apo state | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Amino acid transporter heavy chain SLC3A2, Asc-type amino acid transporter 1 | 著者 | Li, Y.N, Guo, Y.Y, Dai, L, Yan, R.H. | 登録日 | 2023-10-06 | 公開日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.42 Å) | 主引用文献 | Cryo-EM structure of the human Asc-1 transporter complex. Nat Commun, 15, 2024
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9BBG
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![BU of 9bbg by Molmil](/molmil-images/mine/9bbg) | Co-crystal structure of human DDB1 bound to fragment UB028671 | 分子名称: | 1,2-ETHANEDIOL, 1H-indol-6-amine, DNA damage-binding protein 1, ... | 著者 | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2024-04-05 | 公開日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Co-crystal structure of human DDB1 bound to fragment UB028671 To be published
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9BFY
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![BU of 9bfy by Molmil](/molmil-images/mine/9bfy) | Tri-complex of Compound-12, KRAS G12C, and CypA | 分子名称: | (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... | 著者 | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | 登録日 | 2024-04-18 | 公開日 | 2024-06-12 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Tri-complex of Compound-12, KRAS G12C, and CypA To be published
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9BG1
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![BU of 9bg1 by Molmil](/molmil-images/mine/9bg1) | Tri-complex of Compound-3, KRAS G12V, and CypA | 分子名称: | (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ... | 著者 | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | 登録日 | 2024-04-18 | 公開日 | 2024-06-12 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Tri-complex of Compound-3, KRAS G12V, and CypA To be published
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9BBE
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![BU of 9bbe by Molmil](/molmil-images/mine/9bbe) | Co-crystal structure of human DDB1 bound to fragment UB028668 | 分子名称: | 5-(4-methoxyphenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ... | 著者 | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2024-04-05 | 公開日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Co-crystal structure of human DDB1 bound to fragment UB028668 To be published
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8WAA
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![BU of 8waa by Molmil](/molmil-images/mine/8waa) | Human transketolase soaked with donor ketose D-xylulose | 分子名称: | 1,2-ETHANEDIOL, 2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, ... | 著者 | Liu, Z, Dai, S, Tittmann, K. | 登録日 | 2023-09-07 | 公開日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Multifaceted Role of the Substrate Phosphate Group in Transketolase Catalysis Acs Catalysis, 14, 2024
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9BBI
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![BU of 9bbi by Molmil](/molmil-images/mine/9bbi) | Co-crystal structure of human DDB1 bound to fragment UB028669 | 分子名称: | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ... | 著者 | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2024-04-05 | 公開日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Co-crystal structure of human DDB1 bound to fragment UB028669 To be published
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8WIU
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![BU of 8wiu by Molmil](/molmil-images/mine/8wiu) | Bromodomain and Extra-terminal Domain (BET) BRD4 | 分子名称: | 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4 | 著者 | Cao, D, Zhiyan, D, Xiong, B. | 登録日 | 2023-09-25 | 公開日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis. Eur.J.Med.Chem., 265, 2023
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5X5A
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![BU of 5x5a by Molmil](/molmil-images/mine/5x5a) | Human thymidylate synthase bound with phosphate ion | 分子名称: | PHOSPHATE ION, Thymidylate synthase | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | 登録日 | 2017-02-15 | 公開日 | 2017-06-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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9BBH
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![BU of 9bbh by Molmil](/molmil-images/mine/9bbh) | Co-crystal structure of human DDB1 bound to fragment UB028670 | 分子名称: | 1,2-ETHANEDIOL, 4-methoxy-1H-indole, DNA damage-binding protein 1, ... | 著者 | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2024-04-05 | 公開日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Co-crystal structure of human DDB1 bound to fragment UB028670 To be published
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8X3R
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8WYP
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5X66
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![BU of 5x66 by Molmil](/molmil-images/mine/5x66) | Human thymidylate synthase in complex with dUMP and methotrexate | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, Thymidylate synthase | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | 登録日 | 2017-02-21 | 公開日 | 2017-06-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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6S6K
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![BU of 6s6k by Molmil](/molmil-images/mine/6s6k) | Crystal Structure of BRD4(1) bound to inhibitor BUX2 (9) | 分子名称: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | 著者 | Huegle, M. | 登録日 | 2019-07-03 | 公開日 | 2020-12-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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8WQR
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![BU of 8wqr by Molmil](/molmil-images/mine/8wqr) | Structure of the DDB1-AMBRA1 E3 ligase receptor complex linked to cell cycle regulation | 分子名称: | Activating molecule in BECN1-regulated autophagy protein 1, DNA damage-binding protein 1 | 著者 | Liu, M, Wang, Y, Su, M.Y, Stjepanovic, G. | 登録日 | 2023-10-12 | 公開日 | 2023-12-20 | 実験手法 | ELECTRON MICROSCOPY (3.08 Å) | 主引用文献 | Structure of the DDB1-AMBRA1 E3 ligase receptor complex linked to cell cycle regulation. Nat Commun, 14, 2023
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8X72
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![BU of 8x72 by Molmil](/molmil-images/mine/8x72) | The Crystal Structure of PLK1 from Biortus. | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Wang, F, Cheng, W, Yuan, Z, Lin, D, Wu, B. | 登録日 | 2023-11-22 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The Crystal Structure of PLK1 from Biortus. To Be Published
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9FA7
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![BU of 9fa7 by Molmil](/molmil-images/mine/9fa7) | |