当前蛋白身份：P61925
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差异标签只比较当前检索结果；所有PDB和assembly原始记录仍分别保留。
相关结构差异明细
一行代表一个 PDB 条目中的一个 biological assembly；同一蛋白的多个单体会分别列出。
| PDB 条目 | Assembly / 聚集状态 | 构建体 | 突变与修饰 | 配体、离子与非聚合物 | 实验方法 | 实验环境 | 结构质量 |
|---|---|---|---|---|---|---|---|
| 1CDK CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT (E.C.2.7.1.37) (PROTEIN KINASE A) COMPLEXED WITH PROTEIN KINASE INHIBITOR PEPTIDE FRAGMENT 5-24 (PKI(5-24) ISOELECTRIC VARIANT CA) AND MN2+ ADENYLYL IMIDODIPHOSPHATE (MNAMP-PNP) AT PH 5.6 AND 7C AND 4C 提交 1994-07-04 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–25（20 aa）
|
未记录 | MN MANGANESE (II) ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MYR MYRISTIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.6；280 K；pH 5.6, temperature 280K
|
分辨率 2.00 Å |
| 1CDK CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT (E.C.2.7.1.37) (PROTEIN KINASE A) COMPLEXED WITH PROTEIN KINASE INHIBITOR PEPTIDE FRAGMENT 5-24 (PKI(5-24) ISOELECTRIC VARIANT CA) AND MN2+ ADENYLYL IMIDODIPHOSPHATE (MNAMP-PNP) AT PH 5.6 AND 7C AND 4C 提交 1994-07-04 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 J
6–25（20 aa）
|
未记录 | MN MANGANESE (II) ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MYR MYRISTIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.6；280 K；pH 5.6, temperature 280K
|
分辨率 2.00 Å |
| 1CMK CRYSTAL STRUCTURES OF THE MYRISTYLATED CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE REVEAL OPEN AND CLOSED CONFORMATIONS 提交 1993-11-18 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 12 PDB 声明：dodecameric（12） 与蛋白数一致 |
链 I
6–27（22 aa）
|
未记录 | MYR MYRISTIC ACID × 6 IOD IODIDE ION × 12 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.90 Å |
| 1CTP STRUCTURE OF THE MAMMALIAN CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE AND AN INHIBITOR PEPTIDE DISPLAYS AN OPEN CONFORMATION 提交 1993-04-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 I
6–25（20 aa）
|
非标准单体：是（mmCIF未提供具体位点） | MYR MYRISTIC ACID × 2 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.90 Å |
| 1XH4 Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants 提交 2004-09-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
5–24（20 aa）
片段：PKI(residues 5-24)
|
未记录 | R69 N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
分辨率 2.45 Å R-free 0.242 |
| 1XH5 Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants 提交 2004-09-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
5–24（20 aa）
片段：PKI(residues 5-24)
|
未记录 | R68 N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE × 1 BU3 (R,R)-2,3-BUTANEDIOL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
分辨率 2.05 Å R-free 0.236 |
| 1XH6 Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants 提交 2004-09-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
5–24（20 aa）
片段：PKI(residues 5-24)
|
未记录 | R94 N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-3-YL)ISONICOTINAMIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
分辨率 1.90 Å R-free 0.249 |
| 1XH7 Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants 提交 2004-09-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
5–24（20 aa）
片段：PKI(residues 5-24)
|
未记录 | R96 N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
分辨率 2.47 Å R-free 0.254 |
| 1XH8 Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants 提交 2004-09-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
5–24（20 aa）
片段：PKI(residues 5-24)
|
未记录 | R55 N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
分辨率 1.60 Å R-free 0.236 |
| 1XH9 Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants 提交 2004-09-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
5–24（20 aa）
片段：PKI(residues 5-24)
|
未记录 | R69 N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE × 1 BU3 (R,R)-2,3-BUTANEDIOL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
分辨率 1.64 Å R-free 0.199 |
| 1XHA Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants 提交 2004-09-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
5–24（20 aa）
片段：PKI(residues 5-24)
|
未记录 | R68 N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
分辨率 2.46 Å R-free 0.272 |
| 1YDR STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH H7 PROTEIN KINASE INHIBITOR 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE 提交 1996-07-24 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
5–24（20 aa）
|
未记录 | IQP 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；15 % METHANOL, 70 MILLIMOLAR SODIUM SULFATE, 20 MILLIMOLAR MES-BIS-TRIS PH 6.5, 279K USING HANGING DROP DIFFUSION., vapor diffusion - hanging drop
|
分辨率 2.20 Å |
| 2C1A Structure of cAMP-dependent protein kinase complexed with Isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino) ethyl)amide 提交 2005-09-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
5–24（20 aa）
|
未记录 | I5S ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.95 Å R-free 0.230 |
| 2C1B Structure of cAMP-dependent protein kinase complexed with (4R,2S)-5'-(4-(4-Chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline 提交 2005-09-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
5–24（20 aa）
|
未记录 | CQP (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.00 Å R-free 0.211 |
| 2JDS Structure of cAMP-dependent protein kinase complexed with A-443654 提交 2007-01-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
5–24（20 aa）
片段：RESIDUES 5-24
|
未记录 | L20 (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.00 Å R-free 0.272 |
| 2JDT Structure of PKA-PKB chimera complexed with ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE 提交 2007-01-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
5–24（20 aa）
片段：RESIDUES 5-24
|
未记录 | I5S ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.15 Å R-free 0.259 |
| 2JDV Structure of PKA-PKB chimera complexed with A-443654 提交 2007-01-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
5–24（20 aa）
片段：RESIDUES 5-24
|
未记录 | L20 (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.08 Å R-free 0.276 |
| 2L1L NMR Solution Structure of the Phi0 PKI NES Peptide in Complex with CRM1-RanGTP 提交 2010-07-29 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
30–54（25 aa）
|
未记录 | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 6.8；298 K；离子强度（mmCIF原始值）50；压力 ambient
NMR样品组成
200 uM [U-13C; U-15N; U-2H; ILV-1H] Phi0 PKI-NES-1, 200 uM [U-13C; U-15N; U-2H; ILV-1H, Ala-1H/12C/14N] Phi0 PKI-NES-2, 90% H2O/10% D2O | 90% H2O/10% D2O
|
分辨率未提供 |
| 2UVX Structure of PKA-PKB chimera complexed with 7-azaindole 提交 2007-03-15 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
5–24（20 aa）
片段：RESIDUES 5-24
|
未记录 | GVH 1H-PYRROLO[2,3-B]PYRIDINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.00 Å R-free 0.237 |
| 2UVY Structure of PKA-PKB chimera complexed with methyl-(4-(9H-purin-6-yl)- benzyl)-amine 提交 2007-03-15 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
5–24（20 aa）
片段：RESIDUES 5-24
|
未记录 | GVI N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.95 Å R-free 0.253 |
| 2UVZ Structure of PKA-PKB chimera complexed with C-Phenyl-C-(4-(9H-purin-6- yl)-phenyl)-methylamine 提交 2007-03-15 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
5–24（20 aa）
片段：RESIDUES 5-24
|
未记录 | GVJ (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.94 Å R-free 0.245 |
| 2UW0 Structure of PKA-PKB chimera complexed with 6-(4-(4-(4-Chloro-phenyl) -piperidin-4-yl)-phenyl)-9H-purine 提交 2007-03-15 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
5–24（20 aa）
片段：RESIDUES 5-24
|
未记录 | GVK 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.00 Å R-free 0.248 |
| 2UW3 Structure of PKA-PKB chimera complexed with 5-methyl-4-phenyl-1H- pyrazole 提交 2007-03-19 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
5–24（20 aa）
片段：RESIDUES 5-24
|
未记录 | GVG 3-METHYL-4-PHENYL-1H-PYRAZOLE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.19 Å R-free 0.252 |
| 2UW4 Structure of PKA-PKB chimera complexed with 2-(4-(5-methyl-1H-pyrazol- 4-yl)-phenyl)-ethylamine 提交 2007-03-19 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
5–24（20 aa）
片段：RESIDUES 5-24
|
未记录 | L15 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.00 Å R-free 0.274 |
| 2UW5 Structure of PKA-PKB chimera complexed with (R)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine 提交 2007-03-19 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
5–24（20 aa）
片段：RESIDUES 5-24
|
未记录 | GVN (2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.14 Å R-free 0.259 |
| 2UW6 Structure of PKA-PKB chimera complexed with (S)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine 提交 2007-03-19 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
5–24（20 aa）
片段：RESIDUES 5-24
|
未记录 | GVO (2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.23 Å R-free 0.244 |
| 2UW7 Structure of PKA-PKB chimera complexed with 4-(4-chloro-phenyl)-4-(4- (1H-pyrazol-4-yl)-phenyl)-piperidine 提交 2007-03-19 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
5–24（20 aa）
片段：RESIDUES 5-24
|
未记录 | GVP 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.10 Å R-free 0.318 |
| 2UW8 Structure of PKA-PKB chimera complexed with 2-(4-chloro-phenyl)-2- phenyl-ethylamine 提交 2007-03-19 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
5–24（20 aa）
片段：RESIDUES 5-24
|
未记录 | GVQ (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.00 Å R-free 0.233 |
| 2VNW Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)methanamine 提交 2008-02-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–25（20 aa）
片段：RESIDUES 6-25
|
未记录 | M01 1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.09 Å R-free 0.247 |
| 2VNY Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)amine 提交 2008-02-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–25（20 aa）
片段：RESIDUES 6-25
|
未记录 | M02 1-(9H-purin-6-yl)piperidin-4-amine × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.96 Å R-free 0.292 |
| 2VO0 Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine 提交 2008-02-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–25（20 aa）
片段：RESIDUES 6-25
|
未记录 | CL CHLORIDE ION × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 EDO 1,2-ETHANEDIOL × 2 M03 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine × 2 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.94 Å R-free 0.216 |
| 2VO3 Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine 提交 2008-02-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–25（20 aa）
片段：RESIDUES 6-25
|
未记录 | CL CHLORIDE ION × 1 M04 1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.98 Å R-free 0.246 |
| 2VO6 Structure of PKA-PKB chimera complexed with 4-(4-Chlorobenzyl)-1-(7H- pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-ylamine 提交 2008-02-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–25（20 aa）
片段：RESIDUES 6-25
|
未记录 | CL CHLORIDE ION × 1 M05 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.97 Å R-free 0.229 |
| 2VO7 Structure of PKA complexed with 4-(4-Chlorobenzyl)-1-(7H-pyrrolo(2,3- d)pyrimidin-4-yl)piperidin-4-ylamine 提交 2008-02-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–25（20 aa）
片段：RESIDUES 6-25
|
未记录 | M05 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium × 2 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.98 Å R-free 0.241 |
| 3AMA Protein kinase A sixfold mutant model of Aurora B with inhibitor JNJ-7706621 提交 2010-08-18 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
片段：UNP residues 6-25
|
未记录 | SKE 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；25mM Tris-HCl, 25mM NaCl, 1.5mM octanoyl-N-methylglucamide, 1mM (5-24)-PKI,12-20% (v/v) methanol, 2-methyl 2,4-pentanediol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 1.75 Å R-free 0.223 |
| 3AMB Protein kinase A sixfold mutant model of Aurora B with inhibitor VX-680 提交 2010-08-18 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
片段：UNP residues 6-25
|
未记录 | VX6 CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；25mM Tris-HCl, 25mM NaCl, 1.5mM octanoyl-N-methylglucamide, 1mM (5-24)-PKI, 12-20% (v/v) methanol, 2-methyl-2,4-pentanediol 30%, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 2.25 Å R-free 0.256 |
| 3L9L Crystal structure of pka with compound 36 提交 2010-01-05 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 C
6–25（20 aa）
片段：sequence database residues 6-25
|
未记录 | L9L 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1.0 M LiCl, 20-30% PEG6K, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 2.00 Å R-free 0.262 |
| 3L9L Crystal structure of pka with compound 36 提交 2010-01-05 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 D
6–25（20 aa）
片段：sequence database residues 6-25
|
未记录 | L9L 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1.0 M LiCl, 20-30% PEG6K, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 2.00 Å R-free 0.262 |
| 3L9M Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18 提交 2010-01-05 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 C
6–25（20 aa）
片段：sequence database residues 6-25
|
未记录 | L9M (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1.0 M LiCl, 20-30% PEG6K, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 1.90 Å R-free 0.270 |
| 3L9M Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18 提交 2010-01-05 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 D
6–25（20 aa）
片段：sequence database residues 6-25
|
未记录 | L9M (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1.0 M LiCl, 20-30% PEG6K, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 1.90 Å R-free 0.270 |
| 3L9N crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27 提交 2010-01-05 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 C
6–25（20 aa）
片段：sequence database residues 6-25
|
未记录 | L9N (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1.0 M LiCl,
20-30% PEG6K, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 2.00 Å R-free 0.257 |
| 3MVJ Human cyclic AMP-dependent protein kinase PKA inhibitor complex 提交 2010-05-04 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 J
6–25（20 aa）
|
未记录 | XFE (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.49 Å R-free 0.304 |
| 3MVJ Human cyclic AMP-dependent protein kinase PKA inhibitor complex 提交 2010-05-04 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 K
6–25（20 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.49 Å R-free 0.304 |
| 3MVJ Human cyclic AMP-dependent protein kinase PKA inhibitor complex 提交 2010-05-04 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–25（20 aa）
|
未记录 | XFE (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.49 Å R-free 0.304 |
| 3NX8 human cAMP dependent protein kinase in complex with phenol 提交 2010-07-13 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
片段：residues 5-24
|
未记录 | IPH PHENOL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；5 mM MES, 5mM BisTris-propane, 75mM LiCl, 1mM DTT, 0.1 mM EDTA equilibrated against water/ethanol, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 2.00 Å R-free 0.288 |
| 3OOG human cAMP-dependent protein kinase in complex with a small fragment 提交 2010-08-31 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
片段：residues 5-24
|
未记录 | YTP 1-(4-hydroxy-3-methylphenyl)ethanone × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；5 mM MES, 5mM BisTris-propane, 75mM LiCl, 1mM DTT, 0.1 mM EDTA equilibrated against water/ethanol, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 2.00 Å R-free 0.276 |
| 3OVV Human cAMP-dependent protein kinase in complex with an inhibitor 提交 2010-09-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
片段：residues 5-24
|
未记录 | 1SB N'-[(1E)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide × 1 BUD (2S,3S)-butane-2,3-diol × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；5 mM MES, 5mM BisTris-propane, 75mM LiCl, 1mM DTT, 0.1 mM EDTA, equilibrated against water/ethanol, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.58 Å R-free 0.232 |
| 3OWP Human cAMP-dependent protein kinase in complex with an inhibitor 提交 2010-09-20 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
片段：residues 5-24
|
未记录 | 2SB (2S)-2-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；5 mM MES, 5mM BisTris-propane, 75mM LiCl, 1mM DTT, 0.1 mM EDTA, equilibrated against water/ethanol, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.88 Å R-free 0.211 |
| 3OXT Human cAMP-dependent protein kinase in complex with an inhibitor 提交 2010-09-22 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
片段：residues 5-24
|
未记录 | 3SB (2S)-2-amino-N'-[(1E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-phenylethanehydrazide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；5mM MES, 5mM BisTris-propane, 75mM LiCl, 1mM DTT, 0.1 mM EDTA, equilibrated against water/ethanol, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 2.20 Å R-free 0.239 |
| 3P0M Human cAMP-dependent protein kinase in complex with an inhibitor 提交 2010-09-29 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
片段：residues 5-24
|
未记录 | 4SB (2R)-4-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；5mM MES, 5mM BisTris-propane, 75mM LiCl, 1mM DTT, 0.1mM EDTA, equilibrated against water/ethanol, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 2.03 Å R-free 0.205 |
| 3POO human cAMP-dependent protein kinase in complex with an inhibitor 提交 2010-11-23 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
片段：unp residues 6-25
|
未记录 | S69 N'-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide × 1 BUD (2S,3S)-butane-2,3-diol × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.9；289 K；5mM MES, 5mM BisTris-propane, 75mM LiCl, 1ml DTT, 0.1mM EDTA equilibrated against water/ethanol, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K, temperature 289K
|
分辨率 1.60 Å R-free 0.212 |
| 3VQH Bromine SAD partially resolves multiple binding modes for PKA inhibitor H-89 提交 2012-03-23 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
片段：UNP resodues 6-25
|
未记录 | IQB N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；10mg/ml protein, 25mM BisTris/MES pH6.9, 50mM KCl, 1.5mM octanoyl-N-methylglucamide, 1mM Protein kinase inhibitor peptide, 5mM H-89 in MeOH', VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 1.95 Å R-free 0.234 |
| 3WYG Crystal structure of Xpo1p-PKI-Gsp1p-GTP complex 提交 2014-08-26 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 D
1–76（76 aa）
|
突变：S35L | GTP GUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.7；0.1M TRIS, 15% PEG20000, PH 7.7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K
|
分辨率 2.15 Å R-free 0.220 |
| 4AXA Structure of PKA-PKB chimera complexed with (1S)-2-amino-1-(4- chlorophenyl)-1-(4-(1H-pyrazol-4-yl)phenyl)ethan-1-ol 提交 2012-06-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–25（20 aa）
片段：RESIDUES 6-25
|
未记录 | RKD (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6.5；pH 6.5
|
分辨率 1.90 Å R-free 0.256 |
| 4IE9 Bovine PKA C-alpha in complex with 3-pyridylmethyl-5-methyl-1H-pyrazole-3-carboxylate 提交 2012-12-13 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–25（20 aa）
片段：UNP residues 6-25
|
未记录 | PZX pyridin-3-ylmethyl 5-methyl-1H-pyrazole-3-carboxylate × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 6.4；278 K；pH 6.4, VAPOR DIFFUSION, temperature 278K
|
分辨率 1.92 Å R-free 0.232 |
| 4IJ9 Bovine PKA C-alpha in complex with 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone 提交 2012-12-21 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–25（20 aa）
片段：UNP residues 6-25
|
未记录 | PTV 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
分辨率 2.55 Å R-free 0.247 |
| 4O21 Product complex of metal-free PKAc, ATP-gamma-S and SP20. 提交 2013-12-16 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 S
6–25（20 aa）
片段：UNP residues 6-25
|
突变：N20A, A21S 非标准单体：是（mmCIF未提供具体位点） | ADP ADENOSINE-5'-DIPHOSPHATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；100 mM MES pH 6.5, 5 mM DTT, 15-20% PEG 4000., VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.95 Å R-free 0.215 |
| 4O22 Binary complex of metal-free PKAc with SP20. 提交 2013-12-16 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 S
6–25（20 aa）
片段：UNP residues 6-25
|
突变：N20A, A21S | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；100 mM MES pH 6.5, 5 mM DTT, 15-20% PEG 3350., VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.70 Å R-free 0.219 |
| 4UJ1 Protein Kinase A in complex with an Inhibitor 提交 2015-04-07 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
片段：UNP RESIDUES 6-25
|
未记录 | NVX 7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；277 K；10MG/ML PROTEIN, 25MM BISTRIS/MES PH6.9, 50MM KCL, 1.5MM OCTANOYL-N-METHYLGLUCAMIDE, 1MM PROTEIN KINASE INHIBITOR PEPTIDE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K
|
分辨率 1.77 Å R-free 0.201 |
| 4UJ2 Protein Kinase A in complex with an Inhibitor 提交 2015-04-07 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
片段：UNP RESIDUES 6-25
|
未记录 | NVV 7-[(3S,4R)-4-(3-iodanylphenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；277 K；10MG/ML PROTEIN, 25MM BISTRIS/MES PH6.9, 50MM KCL, 1.5MM OCTANOYL-N-METHYLGLUCAMIDE, 1MM PROTEIN KINASE INHIBITOR PEPTIDE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K
|
分辨率 2.02 Å R-free 0.209 |
| 4UJ9 Protein Kinase A in complex with an Inhibitor 提交 2015-04-09 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
|
未记录 | S3N 7-[(3S,4R)-4-[4-(trifluoromethyl)phenyl]carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；277 K；10MG/ML PROTEIN, 25MM BISTRIS/MES PH6.9, 50MM KCL, 1.5MM OCTANOYL-N-METHYLGLUCAMIDE, 1MM PROTEIN KINASE INHIBITOR PEPTIDE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K
|
分辨率 1.87 Å R-free 0.206 |
| 4Z83 PKAB3 in complex with pyrrolidine inhibitor 47a 提交 2015-04-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–25（20 aa）
|
未记录 | 4L7 7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；The droplets, containing 16 mg/ml PKAB3, 25 mM Bis-Tris-HCl, pH 7.0, 150 mM KCl, 1.5mM octanoyl-N-methylglucamide and 0.8 mM PKI peptide, were equilibrated against 12-26 % (v/v) methanol.
|
分辨率 1.80 Å R-free 0.217 |
| 4Z84 PKAB3 in complex with pyrrolidine inhibitor 34a 提交 2015-04-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–25（20 aa）
|
未记录 | NVX 7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one × 1 MOH METHANOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；The droplets, containing 16 mg/ml protein 25 mM Bis-Tris-HCl, pH 7.0, 150 mM KCl, 1.5mM octanoyl-N-methylglucamide, 0.8 mM PKI peptide and 1mM of the pyrrolidine inhibitor 34a, were equilibrated against 12-26 % (v/v) methanol.
|
分辨率 1.55 Å R-free 0.234 |
| 5BX6 PKA in complex with a halogenated phthalazinone fragment compound. 提交 2015-06-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
片段：UNP residues 6-25
|
未记录 | 495 4-chlorophthalazin-1(2H)-one × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；The droplets, containing 10 mg/ml PKA.
25 mM Bis-Tris-HCl, pH 7.0, 150 mM KCl, 1.5mM octanoyl-N-methylglucamide and 0.8 mM PKI peptide, were equilibrated against 12-26 % (v/v) methanol.
|
分辨率 1.89 Å R-free 0.218 |
| 5BX7 PKA in complex with a benzothiophene fragment compound. 提交 2015-06-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
片段：UNP residues 6-25
|
未记录 | 4W1 1-benzothiophen-3-ylmethanol × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；The droplets, containing 10 mg/ml PKA.
25 mM Bis-Tris-HCl, pH 7.0, 150 mM KCl, 1.5mM octanoyl-N-methylglucamide and 0.8 mM PKI peptide, were equilibrated against 12-26 % (v/v) methanol.
|
分辨率 1.89 Å R-free 0.226 |
| 5LCP Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with Fasudil (M77) 提交 2016-06-22 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
|
未记录 | M77 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE × 1 MOH METHANOL × 5 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (50 mM Stock)
Reservoir: 18% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
分辨率 1.43 Å R-free 0.166 |
| 5LCQ Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with long-chain Fasudil-derivative (Ligand 05) 提交 2016-06-22 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
|
未记录 | 6TV ~{N}-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 MOH METHANOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (50 mM Stock)
Reservoir: 18% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
分辨率 1.42 Å R-free 0.171 |
| 5LCR Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with open-chain Fasudil-derivative (Ligand 04) 提交 2016-06-22 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
|
未记录 | 6TX 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 MOH METHANOL × 5 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (100 mM Stock)
Reservoir: 14% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
分辨率 1.56 Å R-free 0.197 |
| 5LCT Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a R-methyl-piperazine substituted Fasudil-derivative (Ligand 02) 提交 2016-06-22 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
|
未记录 | 6TY 5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 MOH METHANOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (50 mM Stock)
Reservoir: 19% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
分辨率 1.61 Å R-free 0.174 |
| 5LCU Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a S-methyl-piperazine substituted Fasudil-derivative (Ligand 01) 提交 2016-06-22 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
|
未记录 | IQP 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE × 1 MOH METHANOL × 3 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (50 mM Stock)
Reservoir: 16% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
分辨率 1.58 Å R-free 0.192 |
| 5M0B Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a short-chained N-(2-aminoethyl)isoquinoline-5-sulfonamide) Fasudil-derivative (Ligand 03) 提交 2016-10-04 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
|
未记录 | IQU N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 MOH METHANOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (50 mM Stock)
Reservoir: 18% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
分辨率 1.51 Å R-free 0.159 |
| 5M0C Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the Fasudil-fragment isoquinoline-5-sulfonamide 提交 2016-10-04 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
|
未记录 | 7CB isoquinoline-5-sulfonamide × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
0.12 mM ligand solved in DMSO (100 mM Stock)
Reservoir: 14% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
分辨率 1.73 Å R-free 0.200 |
| 5M0L Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the methylated Fasudil-derived fragment N-methylisoquinoline-5-sulfonamide (Ligand 02) 提交 2016-10-05 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
|
未记录 | 7CT ~{N}-methylisoquinoline-5-sulfonamide × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (100 mM Stock)
Reservoir: 16% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
分辨率 1.47 Å R-free 0.173 |
| 5M0U Apostructure structure of cAMP-dependent Protein Kinase (PKA) from CHO cells with a peptidic inhibitor fragment 提交 2016-10-05 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
|
未记录 | MOH METHANOL × 9 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
Reservoir: 23% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
分辨率 1.67 Å R-free 0.189 |
| 5M6V Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a double methylated Fasudil-derivative 提交 2016-10-26 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
片段：UNP residues 6-25
|
未记录 | H52 (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (50 mM Stock)
Reservoir: 18% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
分辨率 1.42 Å R-free 0.174 |
| 5M6Y Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a methylisoquinoline Fasudil-derivative 提交 2016-10-26 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
片段：UNP Residues 6-25
|
未记录 | 7KB 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (50 mM Stock)
Reservoir: 20% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
分辨率 1.37 Å R-free 0.166 |
| 5M71 Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with an (R)-methyl substitued Fasudil-derivative. 提交 2016-10-26 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
|
未记录 | 7K7 5-[[(2~{R})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline × 1 MOH METHANOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (50 mM Stock)
Reservoir: 19% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
分辨率 1.49 Å R-free 0.176 |
| 5M75 Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a (S)-methyl substitued Fasudil-derivative 提交 2016-10-26 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
|
未记录 | DMS DIMETHYL SULFOXIDE × 1 9K6 5-[[(2~{S})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (50 mM Stock)
Reservoir: 18% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
分辨率 1.54 Å R-free 0.174 |
| 5N23 Protein kinase A mutants as surrogate model for Aurora B with AT9283 inhibitor 提交 2017-02-07 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
|
未记录 | 35R 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；12-26 % (v/v) methanol
|
分辨率 2.09 Å R-free 0.239 |
| 5XOJ Crystal structure of Xpo1p-PKI-Nup42p-Gsp1p-GTP complex 提交 2017-05-29 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 6 PDB 声明：hexameric（6） 与蛋白数一致 |
链 D
1–76（76 aa）
|
突变：S35L | GTP GUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.7；293 K；PEG20000, Tris-HCl
|
分辨率 2.20 Å R-free 0.220 |
| 6E99 Crystal structure of Protein Kinase A in complex with the PKI peptide and an amino-pyridinylbenzamide based inhibitor. 提交 2018-07-31 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–23（18 aa）
|
未记录 | J0G 2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.6；277 K；5 to 27% methanol
|
分辨率 1.88 Å R-free 0.230 |
| 6E9L Crystal structure of Protein Kinase A in complex with the PKI peptide and a pyridinylbenzamide based inhibitor 提交 2018-08-01 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–23（18 aa）
|
未记录 | J0P N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.6；277 K；5 to 27% Methanol
|
分辨率 2.80 Å R-free 0.271 |
| 6FRX PKA variant as Aurora B mimic in complex with a dianilinopyrimidine inhibitor 提交 2018-02-16 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
|
未记录 | E3Z ~{N}-[3-[(5-chloranyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]prop-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；277 K；PKA-AU6 at 10mg/ml in 25mM BisTRIS/HCl (pH7.0), 150mM KCl, 1.5mM octanoyl-N-methylglucamide and 0.8mM PKI was equilibrated against 12-26% (v/v) methanol.
|
分辨率 1.88 Å R-free 0.226 |
| 6QJ7 Difluorophenyl diacylhydrazides: Potent inhibitors of Serum- and Glucocorticoid-inducible Kinase 1 (SGK1) 提交 2019-01-23 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
6–25（20 aa）
|
未记录 | J4B ~{N}'-[(2~{S})-2-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoyl]-2-ethyl-3-methyl-4-oxidanyl-benzohydrazide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；5mM MES, 5mM Bis-Tris-propane, 75mM LiCl, 1mM DTT, 0.1mM EDTA, 1.4mM PKA-peptide, 1.4mM MEGA-8, 14% Et-OH as well solution
|
分辨率 1.69 Å R-free 0.214 |
| 6X2U Crystal Structure of PKINES peptide bound to CRM1 提交 2020-05-21 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 D
34–49（16 aa）
片段：residues 34-49
|
未记录 | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；273 K；17% (weight/vol) PEG3350, 100 mM Bis-Tris (pH 6.4), 200 mM ammonium nitrate, and 10 mM Spermine HCl
|
分辨率 2.20 Å R-free 0.240 |
| 6X2V Crystal Structure of PKI(DE)NES peptide bound to CRM1 提交 2020-05-21 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 D
34–49（16 aa）
片段：residues 34-49
|
突变：N48D, K49E | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；273 K；17% (weight/vol) PEG3350, 100 mM Bis-Tris (pH 6.4), 200 mM ammonium nitrate, and 10 mM Spermine HCl
|
分辨率 2.82 Å R-free 0.262 |
| 6X2W Crystal Structure of PKINES peptide bound to CRM1(E571K) 提交 2020-05-21 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 D
35–49（15 aa）
片段：residues 35-49
|
未记录 | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；273 K；17% (weight/vol) PEG3350, 100 mM Bis-Tris (pH 6.4), 200 mM ammonium nitrate, and 10 mM Spermine HCl
|
分辨率 3.00 Å R-free 0.253 |
| 7UJX Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 2.4 Angstrom data 提交 2022-03-31 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–24（19 aa）
|
未记录 | ADP ADENOSINE-5'-DIPHOSPHATE × 1 PO4 PHOSPHATE ION × 2 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；20% PEG 4000, 0.05 M MES pH 5.2, 0.05 M MgCl2, and 0.005 M DTT
|
分辨率 2.40 Å R-free 0.176 |
| 7V0G Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 1.63 Angstrom data 提交 2022-05-10 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–24（19 aa）
|
未记录 | ADP ADENOSINE-5'-DIPHOSPHATE × 1 PO4 PHOSPHATE ION × 2 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；20% PEG 4000, 0.05 M MES pH 5.2, 0.05 M MgCl2, and 0.005 M DTT
|
分辨率 1.63 Å R-free 0.163 |
| 8FE2 Structure of J-PKAc chimera complexed with Aplithianine A 提交 2022-12-05 | Assembly 1 信息不足 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–25（20 aa）
|
未记录 | XTI 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；200 mM Lithium sulfate, 100 mM HEPES 7.5, 20% PEG 3350
|
分辨率 2.34 Å R-free 0.251 |
| 8FE2 Structure of J-PKAc chimera complexed with Aplithianine A 提交 2022-12-05 | Assembly 2 信息不足 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 J
6–25（20 aa）
|
未记录 | XTI 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；200 mM Lithium sulfate, 100 mM HEPES 7.5, 20% PEG 3350
|
分辨率 2.34 Å R-free 0.251 |
| 8FE5 Structure of J-PKAc chimera complexed with Aplithianine B 提交 2022-12-05 | Assembly 1 信息不足 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–25（20 aa）
|
未记录 | XTT 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；200 mM Lithium Sulfate, 100 mM HEPES 7.5, 25% PEG 3350
|
分辨率 2.51 Å R-free 0.243 |
| 8FE5 Structure of J-PKAc chimera complexed with Aplithianine B 提交 2022-12-05 | Assembly 2 信息不足 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 J
6–25（20 aa）
|
未记录 | XTT 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；200 mM Lithium Sulfate, 100 mM HEPES 7.5, 25% PEG 3350
|
分辨率 2.51 Å R-free 0.243 |
| 8FEC Structure of J-PKAc chimera complexed with Aplithianine derivative 提交 2022-12-06 | Assembly 1 信息不足 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–25（20 aa）
|
未记录 | XU0 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；200 mM Lithium sulfate, 100 mM HEPES 7.5, 25% PEG 3350
|
分辨率 2.70 Å R-free 0.287 |
| 8FEC Structure of J-PKAc chimera complexed with Aplithianine derivative 提交 2022-12-06 | Assembly 2 信息不足 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 J
6–25（20 aa）
|
未记录 | XU0 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；200 mM Lithium sulfate, 100 mM HEPES 7.5, 25% PEG 3350
|
分辨率 2.70 Å R-free 0.287 |
| 9DC6 Structure of J-PKAc chimera in complex with Aplithianine e1 提交 2024-08-25 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–25（20 aa）
|
未记录 | A1A3I N-(2-aminoethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-1,4-thiazine-6-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；200 mM Lithium sulfate, 100 mM Hepes pH 7.5, 20 % PEG 3350
|
分辨率 2.70 Å R-free 0.311 |
| 9DC6 Structure of J-PKAc chimera in complex with Aplithianine e1 提交 2024-08-25 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 J
6–25（20 aa）
|
未记录 | A1A3I N-(2-aminoethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-1,4-thiazine-6-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；200 mM Lithium sulfate, 100 mM Hepes pH 7.5, 20 % PEG 3350
|
分辨率 2.70 Å R-free 0.311 |
| 9DCD Structure of J-PKAc chimera in complex with Aplithianine d2 提交 2024-08-25 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–25（20 aa）
|
未记录 | A1A3J N-(2-aminoethyl)-4-(7H-purin-6-yl)-3,4-dihydro-2H-1,4-thiazine-6-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 6；277.15 K；0.2 M LiCl, 0.1 M Mes pH:6.0, 20% PEG 6000
|
分辨率 2.70 Å R-free 0.191 |
| 9NFS Structure of J-PKAc chimera in complex with Aplithianine j1 提交 2025-02-21 | Assembly 1 信息不足 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 D
6–25（20 aa）
|
未记录 | A1BX1 (4P)-4-[4-(pyrimidin-4-yl)-3,4-dihydro-2H-1,4-thiazin-6-yl]-1H-pyrrolo[2,3-b]pyridine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.6；277.15 K；0.2 M LiCl, 0.1 M hopes, pH 7.6, 25% PEG 3350
|
分辨率 2.45 Å R-free 0.334 |
| 9NFS Structure of J-PKAc chimera in complex with Aplithianine j1 提交 2025-02-21 | Assembly 2 信息不足 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 C
6–25（20 aa）
|
未记录 | A1BX1 (4P)-4-[4-(pyrimidin-4-yl)-3,4-dihydro-2H-1,4-thiazin-6-yl]-1H-pyrrolo[2,3-b]pyridine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.6；277.15 K；0.2 M LiCl, 0.1 M hopes, pH 7.6, 25% PEG 3350
|
分辨率 2.45 Å R-free 0.334 |
| 9PC1 Co-crystal structure of the cAMP-dependent protein kinase catalytic subunit alpha with the inhibitor BLU0588 提交 2025-06-26 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
6–24（19 aa）
|
未记录 | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 A1CHQ (6M)-N-[(1R,2R)-2-(pyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；277 K；10% MPD, Hepes pH7, 10% Methanol
|
分辨率 1.55 Å R-free 0.214 |