2L30
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![BU of 2l30 by Molmil](/molmil-images/mine/2l30) | Human PARP-1 zinc finger 1 | 分子名称: | Poly [ADP-ribose] polymerase 1, ZINC ION | 著者 | Neuhaus, D, Eustermann, S, Yang, J, Videler, H. | 登録日 | 2010-08-30 | 公開日 | 2011-02-02 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | The DNA-binding domain of human PARP-1 interacts with DNA single-strand breaks as a monomer through its second zinc finger. J.Mol.Biol., 407, 2011
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2N8A
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![BU of 2n8a by Molmil](/molmil-images/mine/2n8a) | 1H, 13C and 15N chemical shift assignments and solution structure for PARP-1 F1F2 domains in complex with a DNA single-strand break | 分子名称: | DNA (45-MER), Poly [ADP-ribose] polymerase 1, ZINC ION | 著者 | Neuhaus, D, Eustermann, S, Yang, J, Wu, W. | 登録日 | 2015-10-08 | 公開日 | 2015-12-02 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural Basis of Detection and Signaling of DNA Single-Strand Breaks by Human PARP-1. Mol.Cell, 60, 2015
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5IS5
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![BU of 5is5 by Molmil](/molmil-images/mine/5is5) | |
5IU2
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![BU of 5iu2 by Molmil](/molmil-images/mine/5iu2) | Discovery of imidazoquinolines as a novel class of potent, selective and in vivo efficacious COT kinase inhibitors | 分子名称: | Mitogen-activated protein kinase kinase kinase 8, N-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine | 著者 | Gutmann, S, Hinniger, A. | 登録日 | 2016-03-17 | 公開日 | 2016-08-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of Imidazoquinolines as a Novel Class of Potent, Selective, and in Vivo Efficacious Cancer Osaka Thyroid (COT) Kinase Inhibitors. J.Med.Chem., 59, 2016
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6S90
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![BU of 6s90 by Molmil](/molmil-images/mine/6s90) | BTK in complex with an inhibitor | 分子名称: | 4-~{tert}-butyl-~{N}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide, Tyrosine-protein kinase BTK | 著者 | Gutmann, S, Hinniger, A. | 登録日 | 2019-07-11 | 公開日 | 2019-09-18 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Design of Potent and Selective Covalent Inhibitors of Bruton's Tyrosine Kinase Targeting an Inactive Conformation. Acs Med.Chem.Lett., 10, 2019
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6NTD
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![BU of 6ntd by Molmil](/molmil-images/mine/6ntd) | Crystal Structure of G12V HRas-GppNHp bound in complex with the engineered RBD variant 12 of CRAF Kinase protein | 分子名称: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Maisonneuve, P, Kurinov, I, Wiechmann, S, Ernst, A, Sicheri, F. | 登録日 | 2019-01-28 | 公開日 | 2020-03-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Conformation-specific inhibitors of activated Ras GTPases reveal limited Ras dependency of patient-derived cancer organoids. J.Biol.Chem., 295, 2020
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6NTC
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![BU of 6ntc by Molmil](/molmil-images/mine/6ntc) | Crystal Structure of G12V HRas-GppNHp bound in complex with the engineered RBD variant 1 of CRAF Kinase protein | 分子名称: | GLYCEROL, GTPase HRas, MAGNESIUM ION, ... | 著者 | Maisonneuve, P, Kurinov, I, Wiechmann, S, Ernst, A, Sicheri, F. | 登録日 | 2019-01-28 | 公開日 | 2020-03-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Conformation-specific inhibitors of activated Ras GTPases reveal limited Ras dependency of patient-derived cancer organoids. J.Biol.Chem., 295, 2020
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4BPG
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5O83
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![BU of 5o83 by Molmil](/molmil-images/mine/5o83) | Discovery of CDZ173 (leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors | 分子名称: | Leniolisib, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Gutmann, S, Rummel, G, Shrestha, B. | 登録日 | 2017-06-12 | 公開日 | 2017-09-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors. ACS Med Chem Lett, 8, 2017
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8CPO
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![BU of 8cpo by Molmil](/molmil-images/mine/8cpo) | Crystal structure of the PolB16_OarG intein variant S1A, N183A, C111A, C165A | 分子名称: | PolB16 Intein Cys-less | 著者 | Kattelmann, S, Pasch, T, Mootz, H.D, Kuemmel, D. | 登録日 | 2023-03-03 | 公開日 | 2023-05-17 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural and biochemical analysis of a novel atypically split intein reveals a conserved histidine specific to cysteine-less inteins. Chem Sci, 14, 2023
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8CPN
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![BU of 8cpn by Molmil](/molmil-images/mine/8cpn) | Crystal structure of the PolB16_OarG intein variant S1A, N183A | 分子名称: | IODIDE ION, PolB16 intein | 著者 | Kattelmann, S, Pasch, T, Mootz, H.D, Kummel, D. | 登録日 | 2023-03-03 | 公開日 | 2023-05-17 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural and biochemical analysis of a novel atypically split intein reveals a conserved histidine specific to cysteine-less inteins. Chem Sci, 14, 2023
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5DIQ
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![BU of 5diq by Molmil](/molmil-images/mine/5diq) | Crystal structure of human FPPS in complex with salicylic acid derivative 3a | 分子名称: | 2-(naphthalen-1-ylmethoxy)benzoic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ... | 著者 | Rondeau, J.M, Bourgier, E, Lehmann, S. | 登録日 | 2015-09-01 | 公開日 | 2015-09-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding. Chemmedchem, 10, 2015
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5DJP
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5DJV
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5DJR
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![BU of 5djr by Molmil](/molmil-images/mine/5djr) | Crystal structure of human FPPS in complex with biaryl compound 6 | 分子名称: | 1H,1'H-4,4'-biindole-2-carboxylic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ... | 著者 | Rondeau, J.M, Bourgier, E, Lehmann, S. | 登録日 | 2015-09-02 | 公開日 | 2015-09-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding. Chemmedchem, 10, 2015
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8RYS
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![BU of 8rys by Molmil](/molmil-images/mine/8rys) | Human IL-1beta, unliganded | 分子名称: | Interleukin-1 beta, SULFATE ION | 著者 | Rondeau, J.-M, Lehmann, S. | 登録日 | 2024-02-09 | 公開日 | 2024-03-06 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches. J.Med.Chem., 67, 2024
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1QRQ
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1W6T
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![BU of 1w6t by Molmil](/molmil-images/mine/1w6t) | Crystal Structure Of Octameric Enolase From Streptococcus pneumoniae | 分子名称: | ENOLASE, MAGNESIUM ION, NONAETHYLENE GLYCOL | 著者 | Ehinger, S, Schubert, W.-D, Bergmann, S, Hammerschmidt, S, Heinz, D.W. | 登録日 | 2004-08-24 | 公開日 | 2005-08-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Plasmin(Ogen)-Binding Alpha-Enolase from Streptococcus Pneumoniae: Crystal Structure and Evaluation of Plasmin(Ogen)-Binding Sites J.Mol.Biol., 343, 2004
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1MLZ
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![BU of 1mlz by Molmil](/molmil-images/mine/1mlz) | Crystal Structure of 7,8-Diaminopelargonic Acid Synthase in complex with the trans-isomer of amiclenomycin. | 分子名称: | 7,8-diamino-pelargonic acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | 著者 | Sandmark, J, Mann, S, Marquet, A, Schneider, G. | 登録日 | 2002-09-02 | 公開日 | 2002-12-04 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural basis for the inhibition of the biosynthesis of biotin by the antibiotic amiclenomycin J.Biol.Chem., 277, 2002
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1MLY
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![BU of 1mly by Molmil](/molmil-images/mine/1mly) | Crystal Structure of 7,8-Diaminopelargonic Acid Synthase in complex with the cis isomer of amiclenomycin | 分子名称: | 7,8-diamino-pelargonic acid aminotransferase, CIS-AMICLENOMYCIN, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Sandmark, J, Mann, S, Marquet, A, Schneider, G. | 登録日 | 2002-09-02 | 公開日 | 2002-12-04 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Structural basis for the inhibition of the biosynthesis of biotin by the antibiotic amiclenomycin J.Biol.Chem., 277, 2002
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1W3P
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![BU of 1w3p by Molmil](/molmil-images/mine/1w3p) | NimA from D. radiodurans with a His71-Pyruvate residue | 分子名称: | ACETATE ION, NIMA-RELATED PROTEIN, PYRUVIC ACID | 著者 | Leiros, H.-K.S, Kozielski-Stuhrmann, S, Kapp, U, Terradot, L, Leonard, G.A, McSweeney, S.M. | 登録日 | 2004-07-17 | 公開日 | 2004-10-18 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural Basis of 5-Nitroimidazole Antibiotic Resistance: The Crystal Structure of Nima from Deinococcus Radiodurans J.Biol.Chem., 279, 2004
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1W3Q
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![BU of 1w3q by Molmil](/molmil-images/mine/1w3q) | NimA from D. radiodurans with covalenly bound lactate | 分子名称: | ACETATE ION, LACTIC ACID, NIMA-RELATED PROTEIN | 著者 | Leiros, H.-K.S, Kozielski-Stuhrmann, S, Kapp, U, Terradot, L, Leonard, G.A, Mcsweeney, S.M. | 登録日 | 2004-07-17 | 公開日 | 2004-10-18 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Structural Basis of 5-Nitroimidazole Antibiotic Resistance: The Crystal Structure of Nima from Deinococcus Radiodurans J.Biol.Chem., 279, 2004
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1W3R
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![BU of 1w3r by Molmil](/molmil-images/mine/1w3r) | NimA from D. radiodurans with Metronidazole and Pyruvate | 分子名称: | ACETATE ION, Metronidazole, NIMA-RELATED PROTEIN, ... | 著者 | Leiros, H.-K.S, Kozielski-Stuhrmann, S, Kapp, U, Terradot, L, Leonard, G.A, McSweeney, S.M. | 登録日 | 2004-07-17 | 公開日 | 2004-10-18 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Basis of 5-Nitroimidazole Antibiotic Resistance: The Crystal Structure of Nima from Deinococcus Radiodurans J.Biol.Chem., 279, 2004
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1W3O
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![BU of 1w3o by Molmil](/molmil-images/mine/1w3o) | Crystal structure of NimA from D. radiodurans | 分子名称: | ACETATE ION, NIMA-RELATED PROTEIN, PYRUVIC ACID | 著者 | Leiros, H.-K.S, Kozielski-Stuhrmann, S, Kapp, U, Terradot, L, Leonard, G.A, McSweeney, S.M. | 登録日 | 2004-07-17 | 公開日 | 2004-10-18 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural Basis of 5-Nitroimidazole Antibiotic Resistance: The Crystal Structure of Nima from Deinococcus Radiodurans J.Biol.Chem., 279, 2004
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1EXB
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![BU of 1exb by Molmil](/molmil-images/mine/1exb) | STRUCTURE OF THE CYTOPLASMIC BETA SUBUNIT-T1 ASSEMBLY OF VOLTAGE-DEPENDENT K CHANNELS | 分子名称: | KV BETA2 PROTEIN, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM CHANNEL KV1.1 | 著者 | Gulbis, J.M, Zhou, M, Mann, S, MacKinnon, R. | 登録日 | 2000-05-02 | 公開日 | 2000-07-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of the cytoplasmic beta subunit-T1 assembly of voltage-dependent K+ channels. Science, 289, 2000
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