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
 | | 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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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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