6W6L
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6CNX
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![BU of 6cnx by Molmil](/molmil-images/mine/6cnx) | Crystal Structure of the Human vaccinia-related kinase 1 (VRK1) bound to an N-propynyl-N-isopentyl-dihydropteridin inhibitor | 分子名称: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, ACETATE ION, ... | 著者 | Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | 登録日 | 2018-03-09 | 公開日 | 2018-04-04 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of the Human Vaccinia-Related Kinase 1 (VRK1) bound to a N-propynyl-N-isopentil-dihydropteridine inhibitor To Be Published
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6CO2
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![BU of 6co2 by Molmil](/molmil-images/mine/6co2) | Structure of an engineered protein (NUDT16TI) in complex with 53BP1 Tudor domains | 分子名称: | NUDT16-Tudor-interacting (NUDT16TI), TP53-binding protein 1 | 著者 | Botuyan, M.V, Thompson, J.R, Cui, G, Mer, G. | 登録日 | 2018-03-10 | 公開日 | 2018-06-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Mechanism of 53BP1 activity regulation by RNA-binding TIRR and a designer protein. Nat. Struct. Mol. Biol., 25, 2018
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6BW4
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![BU of 6bw4 by Molmil](/molmil-images/mine/6bw4) | Crystal structure of RBBP4 in complex with PRDM16 N-terminal peptide | 分子名称: | Histone-binding protein RBBP4, PR domain zinc finger protein 16, UNKNOWN ATOM OR ION | 著者 | Ivanochko, D, Halabelian, L, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | 登録日 | 2017-12-14 | 公開日 | 2017-12-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Direct interaction between the PRDM3 and PRDM16 tumor suppressors and the NuRD chromatin remodeling complex. Nucleic Acids Res., 47, 2019
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6VPH
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6CZ5
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![BU of 6cz5 by Molmil](/molmil-images/mine/6cz5) | Crystal structure of small molecule AMP-acrylamide covalently bound to DDX3 S228C | 分子名称: | 5'-O-[(R)-hydroxy(propanoylamino)phosphoryl]adenosine, ATP-dependent RNA helicase DDX3X | 著者 | Barkovich, K.J, Moore, M.K, Hu, Q, Shokat, K.M. | 登録日 | 2018-04-08 | 公開日 | 2018-08-08 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Chemical genetic inhibition of DEAD-box proteins using covalent complementarity. Nucleic Acids Res., 46, 2018
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6CKS
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![BU of 6cks by Molmil](/molmil-images/mine/6cks) | Crystal Structure of BRD4 with QC4956 | 分子名称: | 4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one, Bromodomain-containing protein 4 | 著者 | Hosfield, D.J. | 登録日 | 2018-02-28 | 公開日 | 2018-05-02 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Design, synthesis and biological evaluation of novel 4-phenylisoquinolinone BET bromodomain inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
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6CM2
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![BU of 6cm2 by Molmil](/molmil-images/mine/6cm2) | SAMHD1 HD domain bound to decitabine triphosphate | 分子名称: | 6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Oellerich, T, Schneider, C, Thomas, D, Knecht, K.M, Buzovetsky, O, Kaderali, L, Schliemann, C, Bohnenberger, H, Angenendt, L, Hartmann, W, Wardelmann, E, Rothenburger, T, Mohr, S, Scheich, S, Comoglio, F, Wilke, A, Strobel, P, Serve, H, Michaelis, M, Ferreiros, N, Geisslinger, G, Xiong, Y, Keppler, O.T, Cinatl, J. | 登録日 | 2018-03-02 | 公開日 | 2019-06-19 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Selective inactivation of hypomethylating agents by SAMHD1 provides a rationale for therapeutic stratification in AML. Nat Commun, 10, 2019
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6W92
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![BU of 6w92 by Molmil](/molmil-images/mine/6w92) | Human UHRF1 TTD domain | 分子名称: | E3 ubiquitin-protein ligase UHRF1 | 著者 | Campbell, J.C, Chang, L, Sankaran, B, Young, D.W. | 登録日 | 2020-03-21 | 公開日 | 2021-02-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery. Sci Rep, 11, 2021
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6VXU
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![BU of 6vxu by Molmil](/molmil-images/mine/6vxu) | Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471 | 分子名称: | (7R)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, (7S)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, ... | 著者 | dos Reis, C.V, Dutra, L.A, Gama, F.H, Mascarello, A, Azevedo, H, Guimaraes, C.R, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC) | 登録日 | 2020-02-24 | 公開日 | 2021-03-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471 To Be Published
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6CJ1
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![BU of 6cj1 by Molmil](/molmil-images/mine/6cj1) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG071 | 分子名称: | 1,2-ETHANEDIOL, 11-[(2R)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 11-[(2S)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, ... | 著者 | Xu, X, Blacklow, S.C. | 登録日 | 2018-02-25 | 公開日 | 2018-08-29 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6W1S
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![BU of 6w1s by Molmil](/molmil-images/mine/6w1s) | Atomic model of the mammalian Mediator complex | 分子名称: | Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, Mediator of RNA polymerase II transcription subunit 11, ... | 著者 | Zhao, H, Young, N, Asturias, F. | 登録日 | 2020-03-04 | 公開日 | 2021-03-10 | 実験手法 | ELECTRON MICROSCOPY (4.02 Å) | 主引用文献 | A Pliable Mediator Acts as a Functional Rather Than an Architectural Bridge between Promoters and Enhancers. Cell, 178, 2019
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6BGY
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![BU of 6bgy by Molmil](/molmil-images/mine/6bgy) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound 46) | 分子名称: | 1,2-ETHANEDIOL, 2-[(S)-(2-chlorophenyl){2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2017-10-29 | 公開日 | 2018-03-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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6BGX
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![BU of 6bgx by Molmil](/molmil-images/mine/6bgx) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)((4,4-difluorocyclohexyl)methoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N42) | 分子名称: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2017-10-29 | 公開日 | 2018-03-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.882 Å) | 主引用文献 | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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6WBW
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![BU of 6wbw by Molmil](/molmil-images/mine/6wbw) | Structure of Human HDAC2 in complex with an ethyl ketone inhibitor | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | 著者 | Klein, D.J, Yu, W. | 登録日 | 2020-03-27 | 公開日 | 2020-05-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 30, 2020
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6CFM
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![BU of 6cfm by Molmil](/molmil-images/mine/6cfm) | Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor | 分子名称: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, CHLORIDE ION, GLYCEROL, ... | 著者 | Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | 登録日 | 2018-02-15 | 公開日 | 2018-03-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor To Be Published
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6CIS
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![BU of 6cis by Molmil](/molmil-images/mine/6cis) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG047 | 分子名称: | 1,2-ETHANEDIOL, 11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | 著者 | Xu, X, Blacklow, S.C. | 登録日 | 2018-02-25 | 公開日 | 2018-08-29 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6CIY
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![BU of 6ciy by Molmil](/molmil-images/mine/6ciy) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG069 | 分子名称: | 1,2-ETHANEDIOL, 11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | 著者 | Xu, X, Blacklow, S.C. | 登録日 | 2018-02-25 | 公開日 | 2018-08-29 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6X4O
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![BU of 6x4o by Molmil](/molmil-images/mine/6x4o) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (compound 21) | 分子名称: | (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | 登録日 | 2020-05-22 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6CZ1
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![BU of 6cz1 by Molmil](/molmil-images/mine/6cz1) | Crystal structure of ATPase domain of Human GRP78 bound to Ver155008 | 分子名称: | 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, Endoplasmic reticulum chaperone BiP, MAGNESIUM ION | 著者 | Antoshchenko, T, Chen, Y, Hughes, S, Park, H. | 登録日 | 2018-04-07 | 公開日 | 2019-04-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Crystallographic selection of adenosine analogs that fit the mold of the active site of human GRP78 and beyond To be Published
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6CD4
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![BU of 6cd4 by Molmil](/molmil-images/mine/6cd4) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG046 | 分子名称: | 1,2-ETHANEDIOL, 2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | 著者 | Xu, X, Blacklow, S.C. | 登録日 | 2018-02-08 | 公開日 | 2018-08-29 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6VZH
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![BU of 6vzh by Molmil](/molmil-images/mine/6vzh) | Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311 | 分子名称: | (7~{R})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, SULFATE ION, ... | 著者 | dos Reis, C.V, Dutra, L.A, Gama, F, Ferreira, M, Mascarello, A, Azevedo, H, Guimaraes, C, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC) | 登録日 | 2020-02-28 | 公開日 | 2020-03-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311 To be Published
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6W4K
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![BU of 6w4k by Molmil](/molmil-images/mine/6w4k) | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011 | 分子名称: | 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | 著者 | Hosfield, D.J. | 登録日 | 2020-03-11 | 公開日 | 2020-10-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1). J.Med.Chem., 63, 2020
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6CEN
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![BU of 6cen by Molmil](/molmil-images/mine/6cen) | Crystal Structure of WHSC1L1 in Complex with Inhibitor PEP21 | 分子名称: | ACE-GLY-VAL-NLE-ARG-ILE-NH2, Histone-lysine N-methyltransferase NSD3, S-ADENOSYLMETHIONINE, ... | 著者 | Boriack-Sjodin, P.A, Swinger, K, Farrow, N.A. | 登録日 | 2018-02-12 | 公開日 | 2018-05-09 | 最終更新日 | 2018-05-23 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Identification of a peptide inhibitor for the histone methyltransferase WHSC1. PLoS ONE, 13, 2018
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6VIP
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![BU of 6vip by Molmil](/molmil-images/mine/6vip) | TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008 | 分子名称: | TP53-binding protein 1, UNKNOWN ATOM OR ION, {4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone | 著者 | The, J, Hong, Z, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2020-01-13 | 公開日 | 2020-02-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008 to be published
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