3I4B
 
 | | Crystal structure of GSK3b in complex with a pyrimidylpyrrole inhibitor | | 分子名称: | Glycogen synthase kinase-3 beta, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide | | 著者 | Ter Haar, E. | | 登録日 | 2009-07-01 | | 公開日 | 2010-01-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
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3I60
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5UZK
 | | Crystal Structure of PKA bound to an pyrrolo pyridine inhibitor | | 分子名称: | 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | 著者 | Jacobs, M.D, Brown, K. | | 登録日 | 2017-02-26 | | 公開日 | 2018-03-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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5UZJ
 | | Crystal Structure of ROCK1 bound to an aminopyridine inhibitor | | 分子名称: | N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide, Rho-associated protein kinase 1 | | 著者 | Jacobs, M.D. | | 登録日 | 2017-02-26 | | 公開日 | 2018-03-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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6B2Q
 | | Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis | | 分子名称: | 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside, 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknA | | 著者 | Zuccola, H.J. | | 登録日 | 2017-09-20 | | 公開日 | 2018-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | | 主引用文献 | Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions.
ACS Med Chem Lett, 8, 2017
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6B2P
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5HVU
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5KKT
 | | ROCK 1 bound to azaindole thiazole piperazine inhibitor | | 分子名称: | 2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide, Rho-associated protein kinase 1 | | 著者 | Jacobs, M.D. | | 登録日 | 2016-06-22 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors
Bioorg.Med.Chem.Lett., 2018
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5KKS
 | | ROCK 1 bound to azaindole thiazole inhibitor | | 分子名称: | 2-[3-(methylsulfonylamino)phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide, Rho-associated protein kinase 1 | | 著者 | Jacobs, M.D. | | 登録日 | 2016-06-22 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors
Bioorg.Med.Chem.Lett., 2018
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3L1S
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6MAZ
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6MAY
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6MB0
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6MB1
 | | Crystal structure of N-myristoyl transferase (NMT) from Plasmodium vivax in complex with inhibitor IMP-1002 | | 分子名称: | 1,2-ETHANEDIOL, 1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine, CHLORIDE ION, ... | | 著者 | Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2018-08-29 | | 公開日 | 2019-06-05 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-Guided Identification of Resistance Breaking Antimalarial N‐Myristoyltransferase Inhibitors.
Cell Chem Biol, 26, 2019
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2OJG
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2OJJ
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2OJI
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2OK1
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8QTO
 | | CRYSTAL STRUCTURE OF HOLO-L28H-FNR OF A. FISCHERI | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, FNR type regulator, IRON/SULFUR CLUSTER | | 著者 | Volbeda, A, Fontecilla-Camps, J.C. | | 登録日 | 2023-10-13 | | 公開日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Probing the Reactivity of [4Fe-4S] Fumarate and Nitrate Reduction (FNR) Regulator with O2 and NO: Increased O2 Resistance and Relative Specificity for NO of the [4Fe-4S] L28H FNR Cluster
Inorganics (Basel), 11, 2023
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1UBI
 | | SYNTHETIC STRUCTURAL AND BIOLOGICAL STUDIES OF THE UBIQUITIN SYSTEM. PART 1 | | 分子名称: | UBIQUITIN | | 著者 | Alexeev, D, Bury, S.M, Turner, M.A, Ogunjobi, O.M, Muir, T.W, Ramage, R, Sawyer, L. | | 登録日 | 1994-02-03 | | 公開日 | 1994-05-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthetic, structural and biological studies of the ubiquitin system: the total chemical synthesis of ubiquitin.
Biochem.J., 299, 1994
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4PHV
 | | X-RAY CRYSTAL STRUCTURE OF THE HIV PROTEASE COMPLEX WITH L-700,417, AN INHIBITOR WITH PSEUDO C2 SYMMETRY | | 分子名称: | HIV-1 PROTEASE, N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE | | 著者 | Bone, R. | | 登録日 | 1991-10-04 | | 公開日 | 1993-10-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | X-Ray Crystal Structure of the HIV Protease Complex with L-700,417, an Inhibitor with Pseudo C2 Symmetry
J.Am.Chem.Soc., 113, 1991
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3G90
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3G9L
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3G9N
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7RCU
 | | Synthetic Max homodimer mimic in complex with DNA | | 分子名称: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 2-(2,5-dioxopyrrolidin-1-yl)acetamide, ACETAMIDE, ... | | 著者 | Speltz, T, Qiao, Z, Shangguan, S, Fanning, S, Greene, J, Moellering, R. | | 登録日 | 2021-07-08 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Targeting MYC with modular synthetic transcriptional repressors derived from bHLH DNA-binding domains.
Nat.Biotechnol., 41, 2023
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