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

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6ERV	Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor 著者 Mueller, J.M, Heine, A, Klebe, G. 登録日 2017-10-19 公開日 2018-10-31 最終更新日 2019-05-15 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
5WHW	Using sound pulses to solve the crystal harvesting bottleneck 分子名称: 1,2-ETHANEDIOL, BICINE, CALCIUM ION, ... 著者 Soares, A.S, Brennan, H.M, Natarajan, R, McCarthy, L, Leroy, L. 登録日 2017-07-18 公開日 2017-08-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Using sound pulses to solve the crystal-harvesting bottleneck. Acta Crystallogr D Struct Biol, 74, 2018
6B0R	Zinc finger Domain of WT1(-KTS form) with M342R Mutation and 14+1mer Oligonucleotide with 3' Triplet TGG 分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*GP*GP*GP*TP*TP*A)-3'), DNA (5'-D(P*TP*AP*AP*CP*CP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), ... 著者 Horton, J.R, Cheng, X. 登録日 2017-09-14 公開日 2018-01-03 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.818 Å) 主引用文献 Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites. Nucleic Acids Res., 46, 2018
5WI6	Human beta-1 tryptase mutant Ile99Cys 分子名称: L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, SULFATE ION, Tryptase alpha/beta-1 著者 Eigenbrot, C, Maun, H.R. 登録日 2017-07-18 公開日 2018-04-25 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.72 Å) 主引用文献 Dual functionality of beta-tryptase protomers as both proteases and cofactors in the active tetramer. J. Biol. Chem., 293, 2018
6B1I	Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant 分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Heat shock protein family A (Hsp70) member 8, ... 著者 O'Donnell, J.P. 登録日 2017-09-18 公開日 2018-01-17 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Disrupted Hydrogen-Bond Network and Impaired ATPase Activity in an Hsc70 Cysteine Mutant. Biochemistry, 57, 2018
6EAU	Crystallographic structure of the octapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21. 分子名称: CALCIUM ION, CYS-THR-LYS-SER-ILE-PRO-PRO-CYS, Cationic trypsin, ... 著者 Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G. 登録日 2018-08-03 公開日 2019-08-07 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.18 Å) 主引用文献 Crystallographic structure of the octapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21. To Be Published
6BFP	Bovine trypsin bound to potent inhibitor 分子名称: 3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid, CALCIUM ION, Cationic trypsin 著者 Partridge, J.R, Choy, R.M. 登録日 2017-10-26 公開日 2018-10-31 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.292 Å) 主引用文献 Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition. J.Struct.Biol., 206, 2019
6JSN	Crystal Structure of BACE1 in complex with N-{3-[(5R)-3-amino-5-methyl-9,9-dioxo-2,9lambda6-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide 分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ... 著者 Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. 登録日 2019-04-08 公開日 2019-08-28 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2. J.Med.Chem., 62, 2019
5WJH	Using sound pulses to solve the crystal harvesting bottleneck 分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, CALCIUM ION, Proteinase K 著者 Soares, A.S, Brennan, H.M, McCarthy, L, Leroy, L. 登録日 2017-07-22 公開日 2017-08-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Using sound pulses to solve the crystal-harvesting bottleneck. Acta Crystallogr D Struct Biol, 74, 2018
4PYV	Crystal structure of renin in complex with compound4 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Renin, ... 著者 Ostermann, N, Zink, F. 登録日 2014-03-28 公開日 2014-10-08 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors. ACS Med Chem Lett, 5, 2014
6EOF	Crystal structure of AMPylated GRP78 in ADP state 分子名称: 78 kDa glucose-regulated protein, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... 著者 Yan, Y, Preissler, S, Read, R.J, Ron, D. 登録日 2017-10-09 公開日 2017-11-01 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation. Elife, 6, 2017
6B2P	Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis 分子名称: 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknB 著者 Zuccola, H.J. 登録日 2017-09-20 公開日 2018-02-14 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (3.01 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
5WJM	Crystal Structure of Mouse Cadherin-23 EC17-18 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Cadherin-23, ... 著者 De-la-Torre, P, Sotomayor, M. 登録日 2017-07-23 公開日 2018-07-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness. Structure, 26, 2018
7DD1	Crystal structure of SRPK1 in complex with a peptide inhibitor 分子名称: ARG-GLU-ARG-ALA-ARG-THR-ARG, SRSF protein kinase 1,SRSF protein kinase 1 著者 Li, Q.Y, Yung, K.W.Y, Ngo, J.C.K. 登録日 2020-10-27 公開日 2021-04-21 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Protein-Protein Interaction Inhibitor of SRPKs Alters the Splicing Isoforms of VEGF and Inhibits Angiogenesis. Iscience, 24, 2021
6B38	Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide 分子名称: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide 著者 Su, H.P. 登録日 2017-09-21 公開日 2018-01-03 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors. ACS Med Chem Lett, 8, 2017
6B3G	Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6S)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide 分子名称: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,6S)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide 著者 Su, H.P. 登録日 2017-09-21 公開日 2018-01-03 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors. ACS Med Chem Lett, 8, 2017
6ERT	Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp193 and RKp117 分子名称: [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor 著者 Mueller, J.M, Heine, A, Klebe, G. 登録日 2017-10-19 公開日 2018-10-31 最終更新日 2019-10-30 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
7U4G	Neuraminidase from influenza virus A/Shandong/9/1993(H3N2) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ... 著者 Lei, R, Hernandez Garcia, A. 登録日 2022-02-28 公開日 2022-10-19 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Prevalence and mechanisms of evolutionary contingency in human influenza H3N2 neuraminidase. Nat Commun, 13, 2022
6ES2	Structure of CDX2-DNA(CAA) 分子名称: DNA (5'-D(P*GP*GP*AP*GP*GP*CP*AP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*TP*TP*GP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2 著者 Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. 登録日 2017-10-19 公開日 2018-03-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima. Elife, 7, 2018
7MA7	HIV-1 Protease (I84V) in Complex with UMass7 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate, Protease, SULFATE ION 著者 Lockbaum, G.J, Schiffer, C.A. 登録日 2021-03-31 公開日 2022-11-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.919 Å) 主引用文献 HIV-1 Protease (I84V) in Complex with UMass7 To Be Published
7MAA	HIV-1 Protease (I84V) in Complex with UMass10 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate, Protease, SULFATE ION 著者 Lockbaum, G.J, Schiffer, C.A. 登録日 2021-03-31 公開日 2022-11-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.933 Å) 主引用文献 HIV-1 Protease (I84V) in Complex with UMass10 To Be Published
7MA9	HIV-1 Protease (I84V) in Complex with UMass9 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate, Protease, SULFATE ION 著者 Lockbaum, G.J, Schiffer, C.A. 登録日 2021-03-31 公開日 2022-11-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 HIV-1 Protease (I84V) in Complex with UMass9 To Be Published
5WLB	KRas G12V, bound to GppNHp and miniprotein 225-15a/b 分子名称: 225-15 a, 225-15 b, GTPase KRas, ... 著者 Shim, S.Y, McGee, J.H, Lee, S.-J, Verdine, G.L. 登録日 2017-07-26 公開日 2018-01-03 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Exceptionally high-affinity Ras binders that remodel its effector domain. J. Biol. Chem., 293, 2018
7MAR	Drug Resistant HIV-1 Protease (L10F, M46I, I47V, I50V, F53L, L63P, I72V, G73S, V82I, I85V) in Complex with DRV 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 著者 Lockbaum, G.J, Schiffer, C.A. 登録日 2021-03-31 公開日 2022-11-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Drug Resistant HIV-1 Protease (L10F, M46I, I47V, I50V, F53L, L63P, I72V, G73S, V82I, I85V) in Complex with DRV To Be Published
6JVY	Crystal structure of RBM38 in complex with single-stranded DNA 分子名称: DNA (5'-D(*TP*GP*TP*GP*TP*GP*TP*GP*TP*GP*TP*G)-3'), RNA-binding protein 38, SULFATE ION 著者 Qian, K, Li, M, Wang, J, Zhang, M, Wang, M. 登録日 2019-04-17 公開日 2020-01-01 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.003 Å) 主引用文献 Structural basis for mRNA recognition by human RBM38. Biochem.J., 477, 2020

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