PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

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4U3Y	Apo Mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4) 分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase kinase 4 著者 Harris, S.F, Wu, P, Coons, M. 登録日 2014-07-23 公開日 2016-01-06 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures to be published
4U41	MAP4K4 Bound to inhibitor compound 1 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ... 著者 Harris, S.F, Wu, P, Coons, M. 登録日 2014-07-23 公開日 2016-01-06 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures to be published
4U45	MAP4K4 in complex with inhibitor (compound 25) 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, MAGNESIUM ION, ... 著者 Harris, S.F, Wu, P, Coons, M. 登録日 2014-07-23 公開日 2014-09-03 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
6OXZ	HIV-1 Protease NL4-3 WT in Complex with LR2-20 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION 著者 Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. 登録日 2019-05-14 公開日 2019-08-21 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.961 Å) 主引用文献 HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
4UHJ	Crystal structure of the receiver domain of CpxR from E. coli (orthorhombic form) 分子名称: MAGNESIUM ION, TRANSCRIPTIONAL REGULATORY PROTEIN CPXR 著者 Mechaly, A.E, Alzari, P.M.A. 登録日 2015-03-24 公開日 2016-04-13 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural Coupling between Autokinase and Phosphotransferase Reactions in a Bacterial Histidine Kinase. Structure, 25, 2017
6O57	Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 with a substrate analog p2-NC in P41 分子名称: FORMIC ACID, HIV-1 protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide 著者 Wang, Y.-F, Agniswamy, J, Weber, I.T. 登録日 2019-03-01 公開日 2019-06-19 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues. Acs Omega, 4, 2019
6O5E	Crystal structure of the Vitronectin hemopexin-like domain 分子名称: CHLORIDE ION, IMIDAZOLE, NITRATE ION, ... 著者 Lechtenberg, B.C, Shin, K, Marassi, F.M. 登録日 2019-03-01 公開日 2019-09-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure of human Vitronectin C-terminal domain and interaction withYersinia pestisouter membrane protein Ail. Sci Adv, 5, 2019
4U79	Crystal structure of human JNK3 in complex with a benzenesulfonamide inhibitor. 分子名称: Mitogen-activated protein kinase 10, N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide 著者 Mohr, C. 登録日 2014-07-30 公開日 2014-10-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Unfolded Protein Response in Cancer: IRE1 alpha Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability. Acs Med.Chem.Lett., 6, 2015
4UNE	Human insulin B26Phe mutant crystal structure 分子名称: INSULIN A CHAIN, INSULIN B CHAIN, SULFATE ION 著者 Zakova, L, Klevtikova, E, Lepsik, M, Collinsova, M, Watson, C.J, Turkenburg, J.P, Jiracek, J, Brzozowski, A.M. 登録日 2014-05-28 公開日 2014-10-15 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Human Insulin Analogues Modified at the B26 Site Reveal a Hormone Conformation that is Undetected in the Receptor Complex Acta Crystallogr.,Sect.D, 70, 2014
6OTW	Crystallographic Structure of (HbII-HbIII)-O2 from Lucina pectinata at pH 5.0 分子名称: Hemoglobin II, Hemoglobin III, PROTOPORPHYRIN IX CONTAINING FE 著者 Marchany-Rivera, D, Smith, C.A, Rodriguez-Perez, J.D, Lopez-Garriga, J. 登録日 2019-05-03 公開日 2020-04-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.447 Å) 主引用文献 Lucina pectinata oxyhemoglobin (II-III) heterodimer pH susceptibility. J.Inorg.Biochem., 207, 2020
6OTY	Crystallographic Structure of (HbII-HbIII)-O2 from Lucina pectinata at pH 4.0 分子名称: Hemoglobin II, Hemoglobin III, PROTOPORPHYRIN IX CONTAINING FE 著者 Marchany-Rivera, D, Smith, C.A, Rodriguez-Perez, J.D, Lopez-Garriga, J. 登録日 2019-05-03 公開日 2020-04-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.598 Å) 主引用文献 Lucina pectinata oxyhemoglobin (II-III) heterodimer pH susceptibility. J.Inorg.Biochem., 207, 2020
6OXR	HIV-1 Protease NL4-3 WT in Complex with LR-82 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease NL4-3 著者 Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. 登録日 2019-05-14 公開日 2019-08-21 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.035 Å) 主引用文献 HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
6OXU	HIV-1 Protease NL4-3 WT in Complex with LR-99 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION 著者 Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. 登録日 2019-05-14 公開日 2019-08-21 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.861 Å) 主引用文献 HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
6OY2	HIV-1 Protease NL4-3 WT in Complex with LR2-25 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION 著者 Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. 登録日 2019-05-14 公開日 2019-08-21 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
4UHR	Thermostabilised HUMAN A2a Receptor with CGS21680 bound 分子名称: 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE, THERMOSTABILISED HUMAN A2A RECEPTOR 著者 Lebon, G, Edwards, P.C, Leslie, A.G.W, Tate, C.G. 登録日 2015-03-25 公開日 2015-04-08 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Molecular Determinants of Cgs21680 Binding to the Human Adenosine A2A Receptor. Mol.Pharmacol., 87, 2015
6OPT	HIV-1 Protease NL4-3 V82F, I84V Mutant in complex with darunavir 分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3, SULFATE ION 著者 Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. 登録日 2019-04-25 公開日 2019-09-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
6OPX	HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, L76V, V82F, I84V Mutant in complex with darunavir 分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 著者 Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. 登録日 2019-04-25 公開日 2019-09-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
4UAK	MRCK beta in complex with ADP 分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... 著者 Schuettelkopf, A.W. 登録日 2014-08-10 公開日 2014-10-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 A novel small-molecule MRCK inhibitor blocks cancer cell invasion. Cell Commun. Signal, 12, 2014
4UHK	Crystal structure of the receiver domain of CpxR from E. coli (phosphorylated) 分子名称: MAGNESIUM ION, TRANSCRIPTIONAL REGULATORY PROTEIN CPXR 著者 Mechaly, A.E, Alzari, P.M.A. 登録日 2015-03-24 公開日 2016-04-13 最終更新日 2017-06-21 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structural Coupling between Autokinase and Phosphotransferase Reactions in a Bacterial Histidine Kinase. Structure, 25, 2017
4UPJ	HUMAN IMMUNODEFICIENCY VIRUS TYPE 2 PROTEASE MUTANT WITH LYS 57 REPLACED BY LEU (K57L) COMPLEX WITH U097410 [4-HYDROXY-3-[1-[3-[[[[(TERT-BUTYLOXYCARBONYL) AMINOMETHYL]CARBONYL]AMINO]PHENYL]PROPYL]COUMARIN 分子名称: ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-3-YL)-PROPYL]-PHENYLCARBAMOYL}-METHYL)-CARBAMIC ACID TERT-BUTYL ESTER, HIV-2 PROTEASE 著者 Watenpaugh, K.D, Mulichak, A.M, Janakiraman, M.N. 登録日 1996-03-04 公開日 1996-10-14 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure-based design of novel HIV protease inhibitors: carboxamide-containing 4-hydroxycoumarins and 4-hydroxy-2-pyrones as potent nonpeptidic inhibitors. J.Med.Chem., 38, 1995
4UNG	Human insulin B26Asn mutant crystal structure 分子名称: INSULIN A CHAIN, INSULIN B CHAIN, SULFATE ION 著者 Zakova, L, Klevtikova, E, Lepsik, M, Collinsova, M, Watson, C.J, Turkenburg, J.P, Jiracek, J, Brzozowski, A.M. 登録日 2014-05-28 公開日 2014-10-15 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Human Insulin Analogues Modified at the B26 Site Reveal a Hormone Conformation that is Undetected in the Receptor Complex Acta Crystallogr.,Sect.D, 70, 2014
6ON7	Crystal Structure of Apo Domain-Swapped Dimer Q108K:T51D:A28C:L36C Mutant of Human Cellular Retinol Binding Protein II 分子名称: Retinol-binding protein 2 著者 Ghanbarpour, A, Geiger, J. 登録日 2019-04-20 公開日 2019-10-16 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.981 Å) 主引用文献 Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches. J.Am.Chem.Soc., 141, 2019
6ONZ	Dehaloperoxidase B in complex with substtrate 4-nitro-cresol 分子名称: 1,2-ETHANEDIOL, 2-methyl-4-nitrophenol, Dehaloperoxidase B, ... 著者 Ghiladi, R.A, de Serrano, V.S, Malewschik, T. 登録日 2019-04-22 公開日 2019-09-11 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants. Arch.Biochem.Biophys., 673, 2019
4UHL	HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN P1 SPACE GROUP 分子名称: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE 著者 Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G. 登録日 2015-03-24 公開日 2016-06-15 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design. J.Lipid Res., 57, 2016
4UJ9	Protein Kinase A in complex with an Inhibitor 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(3S,4R)-4-[4-(trifluoromethyl)phenyl]carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, cAMP-dependent protein kinase catalytic subunit alpha, ... 著者 Alam, K.A, Engh, R.A. 登録日 2015-04-09 公開日 2016-04-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic. Chemistry, 22, 2016

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