4ER0
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![BU of 4er0 by Molmil](/molmil-images/mine/4er0) | Crystal Structure of human DOT1L in complex with inhibitor FED1 | 分子名称: | 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | 著者 | Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2012-04-19 | 公開日 | 2012-05-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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4ER7
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![BU of 4er7 by Molmil](/molmil-images/mine/4er7) | Crystal Structure of human DOT1L in complex with inhibitor SGC0947 | 分子名称: | 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, GLYCEROL, Histone-lysine N-methyltransferase, ... | 著者 | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2012-04-19 | 公開日 | 2012-05-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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6G3T
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![BU of 6g3t by Molmil](/molmil-images/mine/6g3t) | X-ray structure of NSD3-PWWP1 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase NSD3 | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2018-03-26 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G2F
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![BU of 6g2f by Molmil](/molmil-images/mine/6g2f) | X-ray structure of NSD3-PWWP1 in complex with compound 16 | 分子名称: | 4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole, Histone-lysine N-methyltransferase NSD3 | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2018-03-23 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G3P
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6HHO
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![BU of 6hho by Molmil](/molmil-images/mine/6hho) | Crystal structure of RIP1 kinase in complex with GSK547 | 分子名称: | 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1 | 著者 | Thorpe, J.H, Harris, P.A. | 登録日 | 2018-08-28 | 公開日 | 2018-12-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.49 Å) | 主引用文献 | RIP1 Kinase Drives Macrophage-Mediated Adaptive Immune Tolerance in Pancreatic Cancer. Cancer Cell, 34, 2018
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8K8J
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![BU of 8k8j by Molmil](/molmil-images/mine/8k8j) | Cannabinoid Receptor 1 bound to Fenofibrate coupling MiniGsq and Nb35 Complex | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | 著者 | Tang, W.Q, Wang, T.X, Li, F.H, Wang, J.Y. | 登録日 | 2023-07-30 | 公開日 | 2024-02-14 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (2.88 Å) | 主引用文献 | Fenofibrate Recognition and G q Protein Coupling Mechanisms of the Human Cannabinoid Receptor CB1. Adv Sci, 11, 2024
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4ER3
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![BU of 4er3 by Molmil](/molmil-images/mine/4er3) | Crystal Structure of Human DOT1L in complex with inhibitor EPZ004777 | 分子名称: | 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, ... | 著者 | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2012-04-19 | 公開日 | 2012-05-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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8PON
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![BU of 8pon by Molmil](/molmil-images/mine/8pon) | TEAD2 in complex with an inhibitor | 分子名称: | 4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4 | 著者 | Guichou, J.F. | 登録日 | 2023-07-05 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings. Bioorg.Med.Chem.Lett., 95, 2023
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8POM
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![BU of 8pom by Molmil](/molmil-images/mine/8pom) | TEAD2 in complex with an inhibitor | 分子名称: | 2-[[3-(2-phenylethoxy)phenyl]amino]pyridine-3-carboxylic acid, GLYCEROL, Transcriptional enhancer factor TEF-4 | 著者 | Guichou, J.F. | 登録日 | 2023-07-05 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings. Bioorg.Med.Chem.Lett., 95, 2023
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8POJ
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![BU of 8poj by Molmil](/molmil-images/mine/8poj) | TEAD2 in complex with an inhibitor | 分子名称: | 4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4 | 著者 | Guichou, J.F. | 登録日 | 2023-07-05 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings. Bioorg.Med.Chem.Lett., 95, 2023
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4ER6
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![BU of 4er6 by Molmil](/molmil-images/mine/4er6) | Crystal structure of human DOT1L in complex with inhibitor SGC0946 | 分子名称: | 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, BROMIDE ION, Histone-lysine N-methyltransferase, ... | 著者 | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2012-04-19 | 公開日 | 2012-05-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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6G25
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![BU of 6g25 by Molmil](/molmil-images/mine/6g25) | X-ray structure of NSD3-PWWP1 in complex with compound 4 | 分子名称: | 3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole, Histone-lysine N-methyltransferase NSD3 | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2018-03-22 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.432 Å) | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G2B
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![BU of 6g2b by Molmil](/molmil-images/mine/6g2b) | X-ray structure of NSD3-PWWP1 in complex with compound 8 | 分子名称: | 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine, Histone-lysine N-methyltransferase NSD3 | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2018-03-22 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6I8L
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![BU of 6i8l by Molmil](/molmil-images/mine/6i8l) | Crystal structure of Spindlin1 in complex with the inhibitor TD001851a | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine, ... | 著者 | Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | 登録日 | 2018-11-20 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
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6IVD
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![BU of 6ivd by Molmil](/molmil-images/mine/6ivd) | TGEV nsp1 mutant - 91-95sg | 分子名称: | nsp1 mutant protein | 著者 | Shen, Z, Peng, G.Q. | 登録日 | 2018-12-03 | 公開日 | 2019-08-07 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.975 Å) | 主引用文献 | A conserved region of nonstructural protein 1 from alphacoronaviruses inhibits host gene expression and is critical for viral virulence. J.Biol.Chem., 294, 2019
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6IET
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![BU of 6iet by Molmil](/molmil-images/mine/6iet) | The crystal structure of TRIM66 PHD-Bromo domain | 分子名称: | Tripartite motif-containing protein 66, ZINC ION | 著者 | Chen, J. | 登録日 | 2018-09-17 | 公開日 | 2019-09-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | 主引用文献 | TRIM66 reads unmodified H3R2K4 and H3K56ac to respond to DNA damage in embryonic stem cells. Nat Commun, 10, 2019
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6I8B
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![BU of 6i8b by Molmil](/molmil-images/mine/6i8b) | Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn | 分子名称: | 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ... | 著者 | Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | 登録日 | 2018-11-19 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
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2Z60
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![BU of 2z60 by Molmil](/molmil-images/mine/2z60) | Crystal Structure of the T315I Mutant of Abl kinase bound with PPY-A | 分子名称: | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | 著者 | Zhou, T, Dalgarno, D, Zhu, X. | 登録日 | 2007-07-21 | 公開日 | 2007-09-18 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal Structure of the T315I Mutant of Abl Kinase Chem.Biol.Drug Des., 70, 2007
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8Y6U
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![BU of 8y6u by Molmil](/molmil-images/mine/8y6u) | |
6UE6
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![BU of 6ue6 by Molmil](/molmil-images/mine/6ue6) | PWWP1 domain of NSD2 in complex with MR837 | 分子名称: | 4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide, Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION | 著者 | Liu, Y, Tempel, W, De Freitas, R.F, Schapira, M, Brown, P.J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2019-09-20 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of Small-Molecule Antagonists of the PWWP Domain of NSD2. J.Med.Chem., 64, 2021
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6UVK
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![BU of 6uvk by Molmil](/molmil-images/mine/6uvk) | OXA-48 bound by inhibitor CDD-97 | 分子名称: | 1,2-ETHANEDIOL, 1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid, Beta-lactamase, ... | 著者 | Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T.G. | 登録日 | 2019-11-02 | 公開日 | 2020-05-06 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Identifying Oxacillinase-48 Carbapenemase Inhibitors Using DNA-Encoded Chemical Libraries. Acs Infect Dis., 6, 2020
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3PHD
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![BU of 3phd by Molmil](/molmil-images/mine/3phd) | Crystal structure of human HDAC6 in complex with ubiquitin | 分子名称: | Histone deacetylase 6, Polyubiquitin, ZINC ION | 著者 | Dong, A, Qui, W, Ravichandran, M, Schuetz, A, Loppnau, P, Li, F, Mackenzie, F, Kozieradzki, I, Ouyang, H, Structural Genomics Consortium (SGC) | 登録日 | 2010-11-03 | 公開日 | 2011-02-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Protein Aggregates Are Recruited to Aggresome by Histone Deacetylase 6 via Unanchored Ubiquitin C Termini. J.Biol.Chem., 287, 2012
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1QFD
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![BU of 1qfd by Molmil](/molmil-images/mine/1qfd) | NMR SOLUTION STRUCTURE OF ALPHA-AMYLASE INHIBITOR (AAI) | 分子名称: | PROTEIN (ALPHA-AMYLASE INHIBITOR) | 著者 | Lu, S, Deng, P, Liu, X, Luo, J, Han, R, Gu, X, Liang, S, Wang, X, Feng, L, Lozanov, V, Patthy, A, Pongor, S. | 登録日 | 1999-04-08 | 公開日 | 1999-07-16 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the major alpha-amylase inhibitor of the crop plant amaranth. J.Biol.Chem., 274, 1999
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8HIH
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![BU of 8hih by Molmil](/molmil-images/mine/8hih) | Cryo-EM structure of Mycobacterium tuberculosis transcription initiation complex with transcription factor GlnR | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | 著者 | Lin, W, Shi, J, Xu, J.C. | 登録日 | 2022-11-20 | 公開日 | 2023-06-07 | 実験手法 | ELECTRON MICROSCOPY (3.66 Å) | 主引用文献 | Structural insights into the transcription activation mechanism of the global regulator GlnR from actinobacteria. Proc.Natl.Acad.Sci.USA, 120, 2023
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