4D9T
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![BU of 4d9t by Molmil](/molmil-images/mine/4d9t) | Rsk2 C-terminal Kinase Domain with inhibitor (E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate | 分子名称: | Ribosomal protein S6 kinase alpha-3, SODIUM ION, methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate | 著者 | Serafimova, I.M, Pufall, M.A, Krishnan, S, Duda, K, Cohen, M.S, Maglathlin, R.L, McFarland, J.M, Miller, R.M, Frodin, M, Taunton, J. | 登録日 | 2012-01-12 | 公開日 | 2012-04-25 | 最終更新日 | 2012-05-16 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles. Nat.Chem.Biol., 8, 2012
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4D9U
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![BU of 4d9u by Molmil](/molmil-images/mine/4d9u) | Rsk2 C-terminal Kinase Domain, (E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate | 分子名称: | Ribosomal protein S6 kinase alpha-3, SODIUM ION, tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate | 著者 | Serafimova, I.M, Pufall, M.A, Krishnan, S, Duda, K, Cohen, M.S, Maglathlin, R.L, McFarland, J.M, Miller, R.M, Frodin, M, Taunton, J. | 登録日 | 2012-01-12 | 公開日 | 2012-04-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles. Nat.Chem.Biol., 8, 2012
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1SBM
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![BU of 1sbm by Molmil](/molmil-images/mine/1sbm) | Crystal Structure of Reduced Mesopone cytochrome c peroxidase (R-isomer) | 分子名称: | Cytochrome c peroxidase, mitochondrial, FE-(4-MESOPORPHYRINONE)-R-ISOMER | 著者 | Bhaskar, B, Immoos, C.E, Sulc, F, Cohen, M.S, Farmer, P.J, Poulos, T.L. | 登録日 | 2004-02-10 | 公開日 | 2005-06-14 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Crystal Structures of Resting (Fe3+), Reduced (Fe2+) and Reduced-NO adduct of Mesopone cytochrome c peroxidase (MpCcP) - R-isomer To be Published
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1KOK
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![BU of 1kok by Molmil](/molmil-images/mine/1kok) | Crystal Structure of Mesopone Cytochrome c Peroxidase (MpCcP) | 分子名称: | Cytochrome c Peroxidase, FE(III)-(4-MESOPORPHYRINONE) | 著者 | Bhaskar, B, Immoos, C.E, Cohen, M.S, Barrows, T.P, Farmer, P.J, Poulos, T.L. | 登録日 | 2001-12-20 | 公開日 | 2002-10-02 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Mesopone cytochrome c peroxidase: functional model of heme oxygenated oxidases. J.Inorg.Biochem., 91, 2002
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6FYM
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![BU of 6fym by Molmil](/molmil-images/mine/6fym) | Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor ITK1 | 分子名称: | 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{H}-quinazolin-4-one, NITRATE ION, Poly [ADP-ribose] polymerase 14 | 著者 | Karlberg, T, Thorsell, A.G, Kirby, I.T, Sreenivasan, R, Cohen, M.S, Schuler, H. | 登録日 | 2018-03-12 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | A Potent and Selective PARP11 Inhibitor Suggests Coupling between Cellular Localization and Catalytic Activity. Cell Chem Biol, 25, 2018
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6FZM
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![BU of 6fzm by Molmil](/molmil-images/mine/6fzm) | Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor ITK6 | 分子名称: | 4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{H}-quinazolin-2-yl)methylsulfanyl]benzoic acid, Poly [ADP-ribose] polymerase 14 | 著者 | Karlberg, T, Thorsell, A.G, Kirby, I.T, Sreenivasan, R, Cohen, M.S, Schuler, H. | 登録日 | 2018-03-15 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | A Potent and Selective PARP11 Inhibitor Suggests Coupling between Cellular Localization and Catalytic Activity. Cell Chem Biol, 25, 2018
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4UXB
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![BU of 4uxb by Molmil](/molmil-images/mine/4uxb) | Human ARTD1 (PARP1) - Catalytic domain in complex with inhibitor PJ34 | 分子名称: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, POLY ADP-RIBOSE POLYMERASE 1, SULFATE ION | 著者 | Tresaugues, L, Thorsell, A.G, Karlberg, T, Schuler, H. | 登録日 | 2014-08-21 | 公開日 | 2015-09-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.22 Å) | 主引用文献 | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors. J. Med. Chem., 60, 2017
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4TVJ
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![BU of 4tvj by Molmil](/molmil-images/mine/4tvj) | HUMAN ARTD2 (PARP2) - CATALYTIC DOMAIN IN COMPLEX WITH OLAPARIB | 分子名称: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, GLYCEROL, Poly [ADP-ribose] polymerase 2 | 著者 | Karlberg, T, Thorsell, A.G, Ekblad, T, Pinto, A.F, Schuler, H. | 登録日 | 2014-06-27 | 公開日 | 2015-07-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors. J. Med. Chem., 60, 2017
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4TVP
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![BU of 4tvp by Molmil](/molmil-images/mine/4tvp) | Crystal Structure of the HIV-1 BG505 SOSIP.664 Env Trimer Ectodomain, Comprising Atomic-Level Definition of Pre-Fusion gp120 and gp41, in Complex with Human Antibodies PGT122 and 35O22 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Heavy chain, ... | 著者 | Pancera, M, Zhou, T, Kwong, P.D. | 登録日 | 2014-06-27 | 公開日 | 2014-10-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structure and immune recognition of trimeric pre-fusion HIV-1 Env. Nature, 514, 2014
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4UND
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![BU of 4und by Molmil](/molmil-images/mine/4und) | HUMAN ARTD1 (PARP1) - CATALYTIC DOMAIN IN COMPLEX WITH INHIBITOR TALAZOPARIB | 分子名称: | (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, POLY [ADP-RIBOSE] POLYMERASE 1, SODIUM ION | 著者 | Karlberg, T, Thorsell, A.G, Ekblad, T, Klepsch, M, Pinto, A.F, Tresaugues, L, Moche, M, Schuler, H. | 登録日 | 2014-05-27 | 公開日 | 2015-06-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors. J. Med. Chem., 60, 2017
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5LX6
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![BU of 5lx6 by Molmil](/molmil-images/mine/5lx6) | |
4R5W
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![BU of 4r5w by Molmil](/molmil-images/mine/4r5w) | Human artd1 (parp1) - catalytic domain in complex with inhibitor xav939 | 分子名称: | 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Karlberg, T, Thorsell, A.G, Schuler, H. | 登録日 | 2014-08-22 | 公開日 | 2015-09-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors. J.Med.Chem., 60, 2017
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4R6E
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![BU of 4r6e by Molmil](/molmil-images/mine/4r6e) | Human artd1 (parp1) - catalytic domain in complex with inhibitor niraparib | 分子名称: | 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, GLYCEROL, Poly [ADP-ribose] polymerase 1, ... | 著者 | Karlberg, T, Thorsell, A.G, Brock, J, Schuler, H. | 登録日 | 2014-08-25 | 公開日 | 2015-09-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors. J.Med.Chem., 60, 2017
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4RV6
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![BU of 4rv6 by Molmil](/molmil-images/mine/4rv6) | |
4RWY
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![BU of 4rwy by Molmil](/molmil-images/mine/4rwy) | Crystal structure of VH1-46 germline-derived CD4-binding site-directed antibody 8ANC131 in complex with HIV-1 clade B YU2 gp120 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Acharya, P, Luongo, T.S, Kwong, P.D. | 登録日 | 2014-12-08 | 公開日 | 2015-07-01 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.128 Å) | 主引用文献 | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors. Cell(Cambridge,Mass.), 161, 2015
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4RX4
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![BU of 4rx4 by Molmil](/molmil-images/mine/4rx4) | Crystal structure of VH1-46 germline-derived CD4-binding site-directed antibody 8ANC134 in complex with HIV-1 clade A Q842.d12 gp120 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC134 Heavy chain, ... | 著者 | Zhou, T, Acharya, P, Moquin, S, Kwong, P.D. | 登録日 | 2014-12-08 | 公開日 | 2015-07-01 | 最終更新日 | 2021-06-02 | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | 主引用文献 | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors. Cell(Cambridge,Mass.), 161, 2015
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5U3L
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![BU of 5u3l by Molmil](/molmil-images/mine/5u3l) | Crystal Structure of DH511.2 Fab in Complex with HIV-1 gp41 MPER 670-683 Peptide | 分子名称: | DH511.2 Fab Heavy Chain, DH511.2 Fab Light Chain, gp41 MPER peptide | 著者 | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | 登録日 | 2016-12-02 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.165 Å) | 主引用文献 | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma. Sci Immunol, 2, 2017
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5U3K
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![BU of 5u3k by Molmil](/molmil-images/mine/5u3k) | Crystal Structure of DH511.2 Fab in Complex with HIV-1 gp41 MPER 662-683 Peptide | 分子名称: | CALCIUM ION, CHLORIDE ION, DH511.2 Fab Heavy Chain, ... | 著者 | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | 登録日 | 2016-12-02 | 公開日 | 2017-02-15 | 最終更新日 | 2019-12-11 | 実験手法 | X-RAY DIFFRACTION (2.637 Å) | 主引用文献 | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma. Sci Immunol, 2, 2017
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5U3N
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![BU of 5u3n by Molmil](/molmil-images/mine/5u3n) | Crystal Structure of DH511.12P Fab in Complex with HIV-1 gp41 MPER Peptide | 分子名称: | DH511.12P Fab Heavy Chain, DH511.12P Fab Light Chain, gp41 MPER peptide | 著者 | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | 登録日 | 2016-12-02 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma. Sci Immunol, 2, 2017
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5U3M
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![BU of 5u3m by Molmil](/molmil-images/mine/5u3m) | Crystal Structure of DH511.11P Fab in Complex with HIV-1 gp41 MPER Peptide | 分子名称: | DH511.11P Fab Heavy Chain, DH511.11P Fab Light Chain, gp41 MPER peptide | 著者 | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | 登録日 | 2016-12-02 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.418 Å) | 主引用文献 | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma. Sci Immunol, 2, 2017
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5U3O
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![BU of 5u3o by Molmil](/molmil-images/mine/5u3o) | Crystal Structure of DH511.2_K3 Fab in Complex with HIV-1 gp41 MPER Peptide | 分子名称: | DH511.2_K3 Fab Heavy Chain, DH511.2_K3 Fab Light Chain, gp41 MPER peptide | 著者 | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | 登録日 | 2016-12-02 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.761 Å) | 主引用文献 | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma. Sci Immunol, 2, 2017
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5U3P
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![BU of 5u3p by Molmil](/molmil-images/mine/5u3p) | Crystal Structure of DH511.4 Fab | 分子名称: | DH511.4 Fab Heavy Chain, DH511.4 Fab Light Chain | 著者 | Nicely, N.I, Williams, L.D, Ofek, G, Haynes, B.F. | 登録日 | 2016-12-02 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma. Sci Immunol, 2, 2017
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5U3J
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![BU of 5u3j by Molmil](/molmil-images/mine/5u3j) | Crystal Structure of DH511.1 Fab in Complex with HIV-1 gp41 MPER Peptide | 分子名称: | DH511.1 Heavy Chain, DH511.1 Light Chain, gp41 MPER peptide | 著者 | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | 登録日 | 2016-12-02 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma. Sci Immunol, 2, 2017
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4YDI
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![BU of 4ydi by Molmil](/molmil-images/mine/4ydi) | Crystal structure of broad and potently neutralizing VRC01-class antibody Z258-VRC27.01, isolated from human donor Z258, in complex with HIV-1 gp120 from clade A strain Q23.17 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | 著者 | Zhou, T, Srivatsan, S, Kwong, P.D. | 登録日 | 2015-02-22 | 公開日 | 2015-06-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.452 Å) | 主引用文献 | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors. Cell, 161, 2015
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4YDK
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![BU of 4ydk by Molmil](/molmil-images/mine/4ydk) | Crystal structure of broadly and potently neutralizing antibody C38-VRC16.01 in complex with HIV-1 clade AE strain 93TH057 gp120 | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | 著者 | Zhou, T, Moquin, S, Zheng, A, Kwong, P.D. | 登録日 | 2015-02-22 | 公開日 | 2015-06-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.051 Å) | 主引用文献 | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors. Cell, 161, 2015
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