7M0K
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![BU of 7m0k by Molmil](/molmil-images/mine/7m0k) | HPK1 IN COMPLEX WITH COMPOUND 1 | 分子名称: | 4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | 著者 | Lesburg, C.A. | 登録日 | 2021-03-11 | 公開日 | 2021-04-07 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds. Acs Med.Chem.Lett., 12, 2021
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7M0M
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![BU of 7m0m by Molmil](/molmil-images/mine/7m0m) | HPK1 IN COMPLEX WITH COMPOUND 1 | 分子名称: | 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | 著者 | Lesburg, C.A. | 登録日 | 2021-03-11 | 公開日 | 2021-04-07 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds. Acs Med.Chem.Lett., 12, 2021
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7M0L
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![BU of 7m0l by Molmil](/molmil-images/mine/7m0l) | HPK1 IN COMPLEX WITH COMPOUND 1 | 分子名称: | 4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | 著者 | Lesburg, C.A. | 登録日 | 2021-03-11 | 公開日 | 2021-04-07 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds. Acs Med.Chem.Lett., 12, 2021
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6L0O
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![BU of 6l0o by Molmil](/molmil-images/mine/6l0o) | WH domain of human MCM8 | 分子名称: | DNA helicase MCM8, SULFATE ION | 著者 | Liu, Y, Li, J, Liu, L, Zeng, H. | 登録日 | 2019-09-26 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Crystal structure of the winged-helix domain of MCM8. Biochem.Biophys.Res.Commun., 526, 2020
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7PAE
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![BU of 7pae by Molmil](/molmil-images/mine/7pae) | |
7PAC
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![BU of 7pac by Molmil](/molmil-images/mine/7pac) | The crystal structure of PDE6D in the apo state | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | 著者 | Beaumont, E, Williams, D. | 登録日 | 2021-07-29 | 公開日 | 2022-06-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects. Blood Cancer J, 12, 2022
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7PAD
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![BU of 7pad by Molmil](/molmil-images/mine/7pad) | |
2WGH
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![BU of 2wgh by Molmil](/molmil-images/mine/2wgh) | Human Ribonucleotide reductase R1 subunit (RRM1) in complex with dATP and Mg. | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | 著者 | Welin, R.M, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kragh-Nielsen, T, Kotzsch, A, Kotenyova, T, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wisniewska, M, Nordlund, P. | 登録日 | 2009-04-19 | 公開日 | 2009-05-05 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Basis for Allosteric Regulation of Human Ribonucleotide Reductase by Nucleotide-Induced Oligomerization. Nat.Struct.Mol.Biol., 18, 2011
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1N13
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![BU of 1n13 by Molmil](/molmil-images/mine/1n13) | The Crystal Structure of Pyruvoyl-dependent Arginine Decarboxylase from Methanococcus jannashii | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, AGMATINE, Pyruvoyl-dependent arginine decarboxylase alpha chain, ... | 著者 | Tolbert, W.D, Graham, D.E, White, R.H, Ealick, S.E. | 登録日 | 2002-10-16 | 公開日 | 2003-03-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Pyruvoyl-Dependent Arginine Decarboxylase from Methanococcus jannaschii:
Crystal Structures of the Self-Cleaved and S53A Proenzyme Forms Structure, 11, 2003
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1MT1
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![BU of 1mt1 by Molmil](/molmil-images/mine/1mt1) | The Crystal Structure of Pyruvoyl-dependent Arginine Decarboxylase from Methanococcus jannaschii | 分子名称: | AGMATINE, PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE ALPHA CHAIN, PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE BETA CHAIN | 著者 | Tolbert, W.D, Graham, D.E, White, R.H, Ealick, S.E. | 登録日 | 2002-09-20 | 公開日 | 2003-03-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Pyruvoyl-Dependent Arginine Decarboxylase from Methanococcus jannaschii:
Crystal Structures of the Self-Cleaved and S53A Proenzyme Forms Structure, 11, 2003
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1N2M
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![BU of 1n2m by Molmil](/molmil-images/mine/1n2m) | The S53A Proenzyme Structure of Methanococcus jannaschii. | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, Pyruvoyl-dependent arginine decarboxylase | 著者 | Tolbert, W.D, Graham, D.E, White, R.H, Ealick, S.E. | 登録日 | 2002-10-23 | 公開日 | 2003-03-25 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Pyruvoyl-Dependent Arginine Decarboxylase from Methanococcus jannaschii:
Crystal Structures of the Self-Cleaved and S53A Proenzyme Forms Structure, 11, 2003
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7YTL
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![BU of 7ytl by Molmil](/molmil-images/mine/7ytl) | Structure of a oxidoreductase in complex with quinone | 分子名称: | Apoptosis inducing factor mitochondria associated 2, FLAVIN-ADENINE DINUCLEOTIDE, UBIQUINONE-1 | 著者 | Lv, Y, Sun, Q, Wang, Q, Zhu, D. | 登録日 | 2022-08-15 | 公開日 | 2023-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Structural insights into FSP1 catalysis and ferroptosis inhibition. Nat Commun, 14, 2023
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6M31
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![BU of 6m31 by Molmil](/molmil-images/mine/6m31) | |
7KW1
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![BU of 7kw1 by Molmil](/molmil-images/mine/7kw1) | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3 | 分子名称: | (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | 著者 | Skene, R. | 登録日 | 2020-11-29 | 公開日 | 2021-06-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J.Med.Chem., 64, 2021
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7KVX
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![BU of 7kvx by Molmil](/molmil-images/mine/7kvx) | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN 1 | 分子名称: | (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | 著者 | Skene, R. | 登録日 | 2020-11-29 | 公開日 | 2021-06-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J.Med.Chem., 64, 2021
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7KVZ
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![BU of 7kvz by Molmil](/molmil-images/mine/7kvz) | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-2 | 分子名称: | (2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | 著者 | Skene, R.J. | 登録日 | 2020-11-29 | 公開日 | 2022-02-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J.Med.Chem., 64, 2021
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6UXY
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![BU of 6uxy by Molmil](/molmil-images/mine/6uxy) | PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 8 | 分子名称: | (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one, 1,2-ETHANEDIOL, GLYCEROL, ... | 著者 | Palte, R.L, Schneider, S.E. | 登録日 | 2019-11-08 | 公開日 | 2020-08-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5). Acs Med.Chem.Lett., 11, 2020
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6UXX
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![BU of 6uxx by Molmil](/molmil-images/mine/6uxx) | PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 1a | 分子名称: | (5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one, Methylosome protein 50, Protein arginine N-methyltransferase 5 | 著者 | Palte, R.L, Schneider, S.E. | 登録日 | 2019-11-08 | 公開日 | 2020-08-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5). Acs Med.Chem.Lett., 11, 2020
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8H8J
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![BU of 8h8j by Molmil](/molmil-images/mine/8h8j) | Lodoxamide-bound GPR35 in complex with G13 | 分子名称: | 2,2'-[(2-chloro-5-cyano-1,3-phenylene)bis(azanediyl)]bis(oxoacetic acid), CALCIUM ION, CHOLESTEROL, ... | 著者 | Yuan, Q, Duan, J, Liu, Q, Xu, H.E, Jiang, Y. | 登録日 | 2022-10-23 | 公開日 | 2023-02-08 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Insights into divalent cation regulation and G 13 -coupling of orphan receptor GPR35. Cell Discov, 8, 2022
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7SPS
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![BU of 7sps by Molmil](/molmil-images/mine/7sps) | Crystal structure of human glucose transporter GLUT3 bound with exofacial inhibitor SA47 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ... | 著者 | Wang, N, Jiang, X, Yan, N. | 登録日 | 2021-11-03 | 公開日 | 2022-05-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Molecular basis for inhibiting human glucose transporters by exofacial inhibitors. Nat Commun, 13, 2022
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7SPT
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![BU of 7spt by Molmil](/molmil-images/mine/7spt) | Crystal structure of exofacial state human glucose transporter GLUT3 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ... | 著者 | Wang, N, Jiang, X, Yan, N. | 登録日 | 2021-11-03 | 公開日 | 2022-05-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Molecular basis for inhibiting human glucose transporters by exofacial inhibitors. Nat Commun, 13, 2022
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8IUL
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![BU of 8iul by Molmil](/molmil-images/mine/8iul) | Cryo-EM structure of the latanoprost-bound human PTGFR-Gq complex | 分子名称: | Antibody fragment scFv16, G subunit alpha (q), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Wu, C, Xu, Y, Xu, H.E. | 登録日 | 2023-03-24 | 公開日 | 2023-07-12 | 最終更新日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (2.78 Å) | 主引用文献 | Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor. Nat Commun, 14, 2023
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8IUK
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![BU of 8iuk by Molmil](/molmil-images/mine/8iuk) | Cryo-EM structure of the PGF2-alpha-bound human PTGFR-Gq complex | 分子名称: | (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, G subunit alpha (q), ... | 著者 | Wu, C, Xu, Y, Xu, H.E. | 登録日 | 2023-03-24 | 公開日 | 2023-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (2.67 Å) | 主引用文献 | Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor. Nat Commun, 14, 2023
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3FMZ
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![BU of 3fmz by Molmil](/molmil-images/mine/3fmz) | |
8SLM
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![BU of 8slm by Molmil](/molmil-images/mine/8slm) | Crystal structure of Deinococcus geothermalis PprI | 分子名称: | MANGANESE (II) ION, SULFATE ION, Zn dependent hydrolase fused to HTH domain, ... | 著者 | Zhao, Y, Lu, H. | 登録日 | 2023-04-23 | 公開日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | The Deinococcus protease PprI senses DNA damage by directly interacting with single-stranded DNA. Nat Commun, 15, 2024
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