7B65
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![BU of 7b65 by Molmil](/molmil-images/mine/7b65) | Structure of NUDT15 R139C Mutant in complex with TH7755 | 分子名称: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | 著者 | Rehling, D, Stenmark, P. | 登録日 | 2020-12-07 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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5MY2
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7B63
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![BU of 7b63 by Molmil](/molmil-images/mine/7b63) | Structure of NUDT15 in complex with TH7755 | 分子名称: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15 | 著者 | Rehling, D, Stenmark, P. | 登録日 | 2020-12-07 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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6SPH
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![BU of 6sph by Molmil](/molmil-images/mine/6sph) | A4V MUTANT OF HUMAN SUPEROXIDE DISMUTASE 1 WITH EBSELEN BOND IN C2 SPACE GROUP | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, N-phenyl-2-selanylbenzamide, ... | 著者 | Shahid, M, Chantadul, V, Amporndanai, K, Wright, G, Antonyuk, S, Hasnain, S. | 登録日 | 2019-09-01 | 公開日 | 2020-03-18 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy. Commun Biol, 3, 2020
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7B66
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![BU of 7b66 by Molmil](/molmil-images/mine/7b66) | Structure of NUDT15 R139H Mutant in complex with TH7755 | 分子名称: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | 著者 | Rehling, D, Stenmark, P. | 登録日 | 2020-12-07 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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5MSE
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5MSM
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![BU of 5msm by Molmil](/molmil-images/mine/5msm) | Structure of the Dcc1-Ctf8-Ctf18C Trimer | 分子名称: | Chromosome transmission fidelity protein 18, Chromosome transmission fidelity protein 8, Sister chromatid cohesion protein DCC1 | 著者 | Wade, B.O, Singleton, M.R. | 登録日 | 2017-01-05 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Structural studies of RFC(C)(tf18) reveal a novel chromatin recruitment role for Dcc1. EMBO Rep., 18, 2017
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7AY2
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![BU of 7ay2 by Molmil](/molmil-images/mine/7ay2) | Crystal structure of truncated USP1-UAF1 reacted with ubiquitin-prg | 分子名称: | Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 1, WD repeat-containing protein 48, ... | 著者 | Arkinson, C, Rennie, M.L, Walden, H. | 登録日 | 2020-11-10 | 公開日 | 2021-03-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural basis of FANCD2 deubiquitination by USP1-UAF1. Nat.Struct.Mol.Biol., 28, 2021
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7AVI
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![BU of 7avi by Molmil](/molmil-images/mine/7avi) | Crystal structure of SOS1 in complex with compound 2 | 分子名称: | 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide, Son of sevenless homolog 1 | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | 登録日 | 2020-11-05 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
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7AVS
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![BU of 7avs by Molmil](/molmil-images/mine/7avs) | Crystal structure of SOS1 in complex with compound 6 | 分子名称: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1 | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | 登録日 | 2020-11-06 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
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7AVT
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![BU of 7avt by Molmil](/molmil-images/mine/7avt) | Crystal structure of SOS1 in complex with compound 7 | 分子名称: | IMIDAZOLE, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | 登録日 | 2020-11-06 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
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7B64
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![BU of 7b64 by Molmil](/molmil-images/mine/7b64) | Structure of NUDT15 V18I Mutant in complex with TH7755 | 分子名称: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | 著者 | Rehling, D, Stenmark, P. | 登録日 | 2020-12-07 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7AVV
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7AVU
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![BU of 7avu by Molmil](/molmil-images/mine/7avu) | Crystal structure of SOS1 in complex with compound 8 | 分子名称: | IMIDAZOLE, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | 登録日 | 2020-11-06 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
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6SQT
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5MT9
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![BU of 5mt9 by Molmil](/molmil-images/mine/5mt9) | Human insulin in complex with serotonin and arginine | 分子名称: | ARGININE, CHLORIDE ION, Insulin, ... | 著者 | Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L. | 登録日 | 2017-01-07 | 公開日 | 2017-04-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Computational and structural evidence for neurotransmitter-mediated modulation of the oligomeric states of human insulin in storage granules. J. Biol. Chem., 292, 2017
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6SUY
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7AVL
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![BU of 7avl by Molmil](/molmil-images/mine/7avl) | Crystal structure of SOS1 in complex with compound 4 | 分子名称: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1 | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | 登録日 | 2020-11-05 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.718 Å) | 主引用文献 | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
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6SQZ
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![BU of 6sqz by Molmil](/molmil-images/mine/6sqz) | Mouse dCTPase in complex with dCMPNPP | 分子名称: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, MAGNESIUM ION, dCTP pyrophosphatase 1 | 著者 | Scaletti, E.R, Claesson, M, Helleday, H, Jemth, A.S, Stenmark, P. | 登録日 | 2019-09-04 | 公開日 | 2020-01-29 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The First Structure of an Active Mammalian dCTPase and its Complexes With Substrate Analogs and Products. J.Mol.Biol., 432, 2020
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5MUL
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![BU of 5mul by Molmil](/molmil-images/mine/5mul) | Glycoside Hydrolase BT3686 bound to Glucuronic Acid | 分子名称: | Neuraminidase, beta-D-glucopyranuronic acid | 著者 | Munoz-Munoz, J, Cartmell, A, Terrapon, N, Henrissat, B, Gilbert, H.J. | 登録日 | 2017-01-13 | 公開日 | 2017-04-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Unusual active site location and catalytic apparatus in a glycoside hydrolase family. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7AMT
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![BU of 7amt by Molmil](/molmil-images/mine/7amt) | Structure of LuxR with DNA (activation) | 分子名称: | DNA (5'-D(P*AP*TP*AP*AP*TP*GP*AP*CP*AP*TP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP*AP*AP*TP*GP*TP*CP*AP*TP*TP*AP*T)-3'), HTH-type transcriptional regulator LuxR | 著者 | Liu, B, Reverter, D. | 登録日 | 2020-10-09 | 公開日 | 2021-03-31 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression. Nucleic Acids Res., 49, 2021
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5MU0
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![BU of 5mu0 by Molmil](/molmil-images/mine/5mu0) | ACC1 Fab fragment in complex with citrullinated C1 epitope of CII (IA03) | 分子名称: | IA03 peptide containing the citrullinated C1 epitope of collagen type II,Collagen alpha-1(II) chain,IA03 peptide containing the citrullinated C1 epitope of collagen type II, heavy chain of ACC1 antibody Fab fragment, light chain of ACC1 antibody Fab fragment | 著者 | Dobritzsch, D, Holmdahl, R, Ge, C. | 登録日 | 2017-01-11 | 公開日 | 2017-07-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage. JCI Insight, 2, 2017
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5MVQ
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![BU of 5mvq by Molmil](/molmil-images/mine/5mvq) | Crystal structure of an unmodified, self-complementary dodecamer. | 分子名称: | DNA, MAGNESIUM ION | 著者 | Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T. | 登録日 | 2017-01-17 | 公開日 | 2017-05-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.604 Å) | 主引用文献 | 5-Formylcytosine does not change the global structure of DNA. Nat. Struct. Mol. Biol., 24, 2017
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7AL2
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6SSI
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![BU of 6ssi by Molmil](/molmil-images/mine/6ssi) | Structure of the pentameric ligand-gated ion channel ELIC in complex with a PAM nanobody | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ... | 著者 | Ulens, C, Brams, M, Evans, G.L, Spurny, R, Govaerts, C, Pardon, E, Steyaert, J. | 登録日 | 2019-09-07 | 公開日 | 2020-02-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Modulation of the Erwinia ligand-gated ion channel (ELIC) and the 5-HT 3 receptor via a common vestibule site. Elife, 9, 2020
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