当前蛋白身份：P00811
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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 |
|---|---|---|---|---|---|---|---|
| 1C3B AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR, BENZO(B)THIOPHENE-2-BORONIC ACID (BZB) 提交 1999-07-27 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
20–377（358 aa）
链 B
20–377（358 aa）
|
未记录 | BZB BENZO[B]THIOPHENE-2-BORONIC ACID × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 360uM benzo(b)thiophene-2-boronic acid, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.25 Å R-free 0.224 |
| 1FCM CRYSTAL STRUCTURE OF THE E.COLI AMPC BETA-LACTAMASE MUTANT Q120L/Y150E COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, CLOXACILLIN 提交 2000-07-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
突变：Q120L/Y150E | CXU CLOXACILLIN (OPEN FORM) × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；1.7 M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 106K
|
分辨率 2.46 Å R-free 0.265 |
| 1FCM CRYSTAL STRUCTURE OF THE E.COLI AMPC BETA-LACTAMASE MUTANT Q120L/Y150E COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, CLOXACILLIN 提交 2000-07-18 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：Q120L/Y150E | CXU CLOXACILLIN (OPEN FORM) × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；1.7 M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 106K
|
分辨率 2.46 Å R-free 0.265 |
| 1FCN Crystal Structure of the E. Coli AMPC Beta-Lactamase Mutant Q120L/Y150E Covalently Acylated with the Substrate Beta-Lactam LORACARBEF 提交 2000-07-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
突变：Q120L/Y150E | LOR LORACABEF (Open form) × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.35 Å R-free 0.257 |
| 1FCN Crystal Structure of the E. Coli AMPC Beta-Lactamase Mutant Q120L/Y150E Covalently Acylated with the Substrate Beta-Lactam LORACARBEF 提交 2000-07-18 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：Q120L/Y150E | LOR LORACABEF (Open form) × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.35 Å R-free 0.257 |
| 1FCO CRYSTAL STRUCTURE OF THE E. COLI AMPC BETA-LACTAMASE COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, MOXALACTAM 提交 2000-07-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
突变：Q120L/Y150E | MOX (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；1.7 M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.20 Å R-free 0.258 |
| 1FCO CRYSTAL STRUCTURE OF THE E. COLI AMPC BETA-LACTAMASE COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, MOXALACTAM 提交 2000-07-19 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：Q120L/Y150E | MOX (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；1.7 M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.20 Å R-free 0.258 |
| 1FSW AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CEPHALOTHINBORONIC ACID 提交 2000-09-11 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
20–377（358 aa）
链 B
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 1 CTB N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 95 uM AmpC, 586 uM cephalothinboronic acid, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.90 Å R-free 0.227 |
| 1FSY AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CLOXACILLINBORONIC ACID 提交 2000-09-11 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
20–377（358 aa）
链 B
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 1 105 N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, 95 uM AmpC, 586 uM cloxacillinboronic acid, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.75 Å R-free 0.218 |
| 1GA9 CRYSTAL STRUCTURE OF AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH NON-BETA-LACTAMASE INHIBITOR (2, 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID) 提交 2000-11-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：BETA-LACTAMASE (RESIDUES 20-377)
|
未记录 | PO4 PHOSPHATE ION × 2 ETP 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；1.7 M potassium phosphate, 95 uM AmpC, 600 uM compound 2 (ET011), pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.10 Å R-free 0.249 |
| 1GA9 CRYSTAL STRUCTURE OF AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH NON-BETA-LACTAMASE INHIBITOR (2, 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID) 提交 2000-11-29 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
片段：BETA-LACTAMASE (RESIDUES 20-377)
|
未记录 | ETP 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID × 1 K POTASSIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；1.7 M potassium phosphate, 95 uM AmpC, 600 uM compound 2 (ET011), pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.10 Å R-free 0.249 |
| 1I5Q CRYSTAL STRUCTURE OF THE E. COLI AMPC BETA-LACTAMASE MUTANT N152A COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, MOXALACTAM 提交 2001-02-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
突变：N152A | MOX (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；potassium phosphate, AmpC N152A, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.83 Å R-free 0.206 |
| 1I5Q CRYSTAL STRUCTURE OF THE E. COLI AMPC BETA-LACTAMASE MUTANT N152A COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, MOXALACTAM 提交 2001-02-28 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：N152A | MOX (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；potassium phosphate, AmpC N152A, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.83 Å R-free 0.206 |
| 1IEL Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Ceftazidime 提交 2001-04-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 1 CAZ ACYLATED CEFTAZIDIME × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 95uM AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.00 Å R-free 0.226 |
| 1IEL Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Ceftazidime 提交 2001-04-10 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | CAZ ACYLATED CEFTAZIDIME × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 95uM AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.00 Å R-free 0.226 |
| 1IEM Crystal Structure of AmpC beta-lactamase from E. coli in Complex with a Boronic Acid Inhibitor (1, CefB4) 提交 2001-04-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 1 CB4 PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 95uM AmpC, 586uM compound 1 (CB4), pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.30 Å R-free 0.228 |
| 1IEM Crystal Structure of AmpC beta-lactamase from E. coli in Complex with a Boronic Acid Inhibitor (1, CefB4) 提交 2001-04-10 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | CB4 PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 95uM AmpC, 586uM compound 1 (CB4), pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.30 Å R-free 0.228 |
| 1KDS X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 3-nitrophenylboronic acid 提交 2001-11-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | NPB 3-NITROPHENYLBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, 590 uM 3-nitrophenylboronic acid, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.15 Å R-free 0.211 |
| 1KDS X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 3-nitrophenylboronic acid 提交 2001-11-13 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | NPB 3-NITROPHENYLBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, 590 uM 3-nitrophenylboronic acid, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.15 Å R-free 0.211 |
| 1KDW X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4-carboxyphenylboronic acid 提交 2001-11-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 1 4CB 4-CARBOXYPHENYLBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, 485 uM 4-carboxyphenylboronic acid, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.28 Å R-free 0.234 |
| 1KDW X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4-carboxyphenylboronic acid 提交 2001-11-13 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | 4CB 4-CARBOXYPHENYLBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, 485 uM 4-carboxyphenylboronic acid, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.28 Å R-free 0.234 |
| 1KE0 X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4-(carboxyvin-2-yl)phenylboronic acid 提交 2001-11-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 1 CVB 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, 590 uM 4-(carboxyvin-2-yl)phenylboronic acid, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.30 Å R-free 0.245 |
| 1KE0 X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4-(carboxyvin-2-yl)phenylboronic acid 提交 2001-11-13 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | CVB 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, 590 uM 4-(carboxyvin-2-yl)phenylboronic acid, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.30 Å R-free 0.245 |
| 1KE3 X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4,4'-biphenyldiboronic acid 提交 2001-11-14 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 1 BDB 4,4'-BIPHENYLDIBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, 590 uM 4,4'-biphenyldiboronic acid, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.15 Å R-free 0.237 |
| 1KE3 X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4,4'-biphenyldiboronic acid 提交 2001-11-14 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | BDB 4,4'-BIPHENYLDIBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, 590 uM 4,4'-biphenyldiboronic acid, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.15 Å R-free 0.237 |
| 1KE4 X-ray crystal structure of AmpC beta-lactamase from E. coli 提交 2001-11-14 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.72 Å R-free 0.214 |
| 1KE4 X-ray crystal structure of AmpC beta-lactamase from E. coli 提交 2001-11-14 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.72 Å R-free 0.214 |
| 1KVL X-ray Crystal Structure of AmpC S64G Mutant beta-Lactamase in Complex with Substrate and Product Forms of Cephalothin 提交 2002-01-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
突变：S64G | PO4 PHOSPHATE ION × 2 KCP 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID × 1 CLS CEPHALOTHIN × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate; the crystal was then soaked in saturated cephalothin in crystallizing buffer for 3 hours, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.53 Å R-free 0.220 |
| 1KVL X-ray Crystal Structure of AmpC S64G Mutant beta-Lactamase in Complex with Substrate and Product Forms of Cephalothin 提交 2002-01-27 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：S64G | THN 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate; the crystal was then soaked in saturated cephalothin in crystallizing buffer for 3 hours, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.53 Å R-free 0.220 |
| 1KVM X-ray Crystal Structure of AmpC WT beta-Lactamase in Complex with Covalently Bound Cephalothin 提交 2002-01-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, then crystal soaked with saturated cephalothin solution in crystallizing buffer for 2x 15 minutes, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.06 Å R-free 0.219 |
| 1KVM X-ray Crystal Structure of AmpC WT beta-Lactamase in Complex with Covalently Bound Cephalothin 提交 2002-01-27 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | CEO 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, then crystal soaked with saturated cephalothin solution in crystallizing buffer for 2x 15 minutes, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.06 Å R-free 0.219 |
| 1L0D X-ray Crystal Structure of AmpC S64D Mutant beta-Lactamase 提交 2002-02-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
突变：S64D | PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.53 Å R-free 0.204 |
| 1L0D X-ray Crystal Structure of AmpC S64D Mutant beta-Lactamase 提交 2002-02-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：S64D | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.53 Å R-free 0.204 |
| 1L0E X-ray Crystal Structure of AmpC K67Q Mutant beta-Lactamase 提交 2002-02-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
突变：K67Q | PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.90 Å R-free 0.192 |
| 1L0E X-ray Crystal Structure of AmpC K67Q Mutant beta-Lactamase 提交 2002-02-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：K67Q | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.90 Å R-free 0.192 |
| 1L0F X-ray Crystal Structure of AmpC N152H Mutant beta-Lactamase 提交 2002-02-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
突变：N152H | PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.66 Å R-free 0.198 |
| 1L0F X-ray Crystal Structure of AmpC N152H Mutant beta-Lactamase 提交 2002-02-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：N152H | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.66 Å R-free 0.198 |
| 1L0G X-ray Crystal Structure of AmpC S64G Mutant beta-Lactamase 提交 2002-02-09 | Assembly 1 其他组合 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
突变：S64G | PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.50 Å R-free 0.212 |
| 1L0G X-ray Crystal Structure of AmpC S64G Mutant beta-Lactamase 提交 2002-02-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：S64G | PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.50 Å R-free 0.212 |
| 1L2S X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a DOCK-predicted non-covalent inhibitor 提交 2002-02-24 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | STC 3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-2-CARBOXYLIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, 1.2 mM inhibitor (STC), pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.94 Å R-free 0.207 |
| 1L2S X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a DOCK-predicted non-covalent inhibitor 提交 2002-02-24 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | STC 3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-2-CARBOXYLIC ACID × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, 1.2 mM inhibitor (STC), pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.94 Å R-free 0.207 |
| 1LL5 X-ray crystal structure of AmpC WT beta-lactamase in complex with covalently bound imipenem 提交 2002-04-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | IM2 (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate; crystal was then soaked in saturated imipenem for 40 minutes, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.80 Å R-free 0.251 |
| 1LL5 X-ray crystal structure of AmpC WT beta-lactamase in complex with covalently bound imipenem 提交 2002-04-26 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | IM2 (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate; crystal was then soaked in saturated imipenem for 40 minutes, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.80 Å R-free 0.251 |
| 1LL9 Crystal Structure Of AmpC beta-Lactamase From E. Coli In Complex With Amoxicillin 提交 2002-04-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；potassium phosphate, AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.87 Å R-free 0.223 |
| 1LL9 Crystal Structure Of AmpC beta-Lactamase From E. Coli In Complex With Amoxicillin 提交 2002-04-26 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | AXL 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；potassium phosphate, AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.87 Å R-free 0.223 |
| 1LLB Crystal Structure Of AmpC beta-Lactamase From E. Coli In Complex With ATMO-penicillin 提交 2002-04-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；potassium phosphate, AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.72 Å R-free 0.199 |
| 1LLB Crystal Structure Of AmpC beta-Lactamase From E. Coli In Complex With ATMO-penicillin 提交 2002-04-26 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | PCN 2-{1-[2-(2-AMINO-THIAZOL-4-YL)-2-METHOXYIMINO-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；potassium phosphate, AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.72 Å R-free 0.199 |
| 1MXO AmpC beta-lactamase in complex with an m.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain 提交 2002-10-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 1 SM2 (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；295 K；potassium phosphate buffer, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
分辨率 1.83 Å R-free 0.214 |
| 1MXO AmpC beta-lactamase in complex with an m.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain 提交 2002-10-02 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | SM2 (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；295 K；potassium phosphate buffer, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
分辨率 1.83 Å R-free 0.214 |
| 1MY8 AmpC beta-lactamase in complex with an M.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain 提交 2002-10-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 1 SM3 (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；295 K；potassium phosphate buffer, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
分辨率 1.72 Å R-free 0.189 |
| 1MY8 AmpC beta-lactamase in complex with an M.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain 提交 2002-10-03 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | SM3 (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；295 K；potassium phosphate buffer, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
分辨率 1.72 Å R-free 0.189 |
| 1O07 Crystal Structure of the complex between Q120L/Y150E mutant of AmpC and a beta-lactam inhibitor (MXG) 提交 2003-02-20 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
突变：Q120L, Y150E | K POTASSIUM ION × 1 MXG 2-(1-{2-[4-(2-ACETYLAMINO-PROPIONYLAMINO)-4-CARBOXY-BUTYRYLAMINO]-6-AMINO-HEXANOYLAMINO}-2-OXO-ETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；295 K；Potassium Phosphate buffer, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
分辨率 1.71 Å R-free 0.191 |
| 1O07 Crystal Structure of the complex between Q120L/Y150E mutant of AmpC and a beta-lactam inhibitor (MXG) 提交 2003-02-20 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：Q120L, Y150E | K POTASSIUM ION × 1 MXG 2-(1-{2-[4-(2-ACETYLAMINO-PROPIONYLAMINO)-4-CARBOXY-BUTYRYLAMINO]-6-AMINO-HEXANOYLAMINO}-2-OXO-ETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；295 K；Potassium Phosphate buffer, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
分辨率 1.71 Å R-free 0.191 |
| 1PI4 Structure of N289A mutant of AmpC in complex with SM3, a phenylglyclboronic acid bearing the cephalothin R1 side chain 提交 2003-05-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：AmpC
|
突变：N289A | PO4 PHOSPHATE ION × 1 K POTASSIUM ION × 1 SM3 (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；295 K；Potassium Phosphate Buffer, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
分辨率 1.39 Å R-free 0.173 |
| 1PI4 Structure of N289A mutant of AmpC in complex with SM3, a phenylglyclboronic acid bearing the cephalothin R1 side chain 提交 2003-05-29 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
片段：AmpC
|
突变：N289A | K POTASSIUM ION × 1 SM3 (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；295 K；Potassium Phosphate Buffer, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
分辨率 1.39 Å R-free 0.173 |
| 1PI5 Structure of N289A mutant of AmpC in complex with SM2, carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain 提交 2003-05-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：AmpC
|
突变：N289A | PO4 PHOSPHATE ION × 1 K POTASSIUM ION × 1 SM2 (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；295 K；Potassium Phosphate Buffer , pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
分辨率 1.49 Å R-free 0.168 |
| 1PI5 Structure of N289A mutant of AmpC in complex with SM2, carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain 提交 2003-05-29 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
片段：AmpC
|
突变：N289A | K POTASSIUM ION × 1 SM2 (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；295 K；Potassium Phosphate Buffer , pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
分辨率 1.49 Å R-free 0.168 |
| 1XGI AmpC beta-lactamase in complex with 3-(3-nitro-phenylsulfamoyl)-thiophene-2-carboxylic acid 提交 2004-09-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.7；294 K；potassium phosphate buffer, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K, pH 8.70
|
分辨率 1.96 Å R-free 0.226 |
| 1XGI AmpC beta-lactamase in complex with 3-(3-nitro-phenylsulfamoyl)-thiophene-2-carboxylic acid 提交 2004-09-17 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | NST 3-{[(3-NITROANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.7；294 K；potassium phosphate buffer, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K, pH 8.70
|
分辨率 1.96 Å R-free 0.226 |
| 1XGJ AmpC beta-lactamase in complex with 3-(4-carboxy-2-hydroxy-phenylsulfamoyl)-thiophene-2-carboxylic acid 提交 2004-09-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | HTC 3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.7；294 K；potassium phosphate buffer, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K, pH 8.70
|
分辨率 1.97 Å R-free 0.215 |
| 1XGJ AmpC beta-lactamase in complex with 3-(4-carboxy-2-hydroxy-phenylsulfamoyl)-thiophene-2-carboxylic acid 提交 2004-09-17 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | HTC 3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.7；294 K；potassium phosphate buffer, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K, pH 8.70
|
分辨率 1.97 Å R-free 0.215 |
| 2BLS AMPC BETA-LACTAMASE FROM ESCHERICHIA COLI 提交 1998-06-03 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
20–377（358 aa）
链 B
20–377（358 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.7；PROTEIN WAS CRYSTALLIZED FROM 1.7M NA/K PHOSPHATE, PH 8.7. LARGER CRYSTALS WERE GROWN BY MICRO-SEEDING TECHNIQUE
|
分辨率 2.00 Å |
| 2FFY AmpC beta-lactamase N289A mutant in complex with a boronic acid deacylation transition state analog compound SM3 提交 2005-12-20 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
突变：N289A | K POTASSIUM ION × 1 SM3 (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；295 K；POTASSIUM PHOSPHATE BUFFER, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
分辨率 1.07 Å R-free 0.164 |
| 2FFY AmpC beta-lactamase N289A mutant in complex with a boronic acid deacylation transition state analog compound SM3 提交 2005-12-20 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：N289A | K POTASSIUM ION × 1 SM3 (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；295 K；POTASSIUM PHOSPHATE BUFFER, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
分辨率 1.07 Å R-free 0.164 |
| 2HDQ AmpC beta-lactamase in complex with 2-carboxythiophene 提交 2006-06-20 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | C21 THIOPHENE-2-CARBOXYLIC ACID × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；294 K；1.7M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
分辨率 2.10 Å R-free 0.227 |
| 2HDQ AmpC beta-lactamase in complex with 2-carboxythiophene 提交 2006-06-20 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | C21 THIOPHENE-2-CARBOXYLIC ACID × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；294 K；1.7M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
分辨率 2.10 Å R-free 0.227 |
| 2HDR AmpC beta-lactamase in complex with 4-Amino-3-hydroxybenzoic acid 提交 2006-06-20 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 1 4A3 4-AMINO-3-HYDROXYBENZOIC ACID × 8 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；294 K；1.8M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
分辨率 2.20 Å R-free 0.246 |
| 2HDR AmpC beta-lactamase in complex with 4-Amino-3-hydroxybenzoic acid 提交 2006-06-20 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | 4A3 4-AMINO-3-HYDROXYBENZOIC ACID × 7 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；294 K；1.8M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
分辨率 2.20 Å R-free 0.246 |
| 2HDS AmpC beta-lactamase in complex with 4-Methanesulfonylamino benzoic acid 提交 2006-06-20 | Assembly 1 其他组合 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 1 4MB 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；294 K；1.8M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
分辨率 1.16 Å R-free 0.128 |
| 2HDS AmpC beta-lactamase in complex with 4-Methanesulfonylamino benzoic acid 提交 2006-06-20 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 1 NA SODIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；294 K；1.8M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
分辨率 1.16 Å R-free 0.128 |
| 2HDU AmpC beta-lactamase in complex with 2-acetamidothiophene-3-carboxylic acid 提交 2006-06-20 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | F12 2-(ACETYLAMINO)THIOPHENE-3-CARBOXYLIC ACID × 2 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.49 Å R-free 0.168 |
| 2HDU AmpC beta-lactamase in complex with 2-acetamidothiophene-3-carboxylic acid 提交 2006-06-20 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | F12 2-(ACETYLAMINO)THIOPHENE-3-CARBOXYLIC ACID × 6 K POTASSIUM ION × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.49 Å R-free 0.168 |
| 2I72 AmpC beta-lactamase in complex with 5-diformylaminomethyl-benzo[b]thiophen-2-boronic acid 提交 2006-08-30 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：Residues 20-377
链 B
20–377（358 aa）
片段：Residues 20-377
|
未记录 | VA1 {5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-2-YL}BORONIC ACID × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；294 K；potassium phosphate buffer, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
分辨率 2.20 Å R-free 0.205 |
| 2P9V Structure of AmpC beta-lactamase with cross-linked active site after exposure to small molecule inhibitor 提交 2007-03-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
非标准单体：是（mmCIF未提供具体位点） | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；291 K；microseeding used, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.80 Å R-free 0.197 |
| 2P9V Structure of AmpC beta-lactamase with cross-linked active site after exposure to small molecule inhibitor 提交 2007-03-26 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；291 K；microseeding used, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.80 Å R-free 0.197 |
| 2PU2 AmpC beta-lactamase with bound Phthalamide inhibitor 提交 2007-05-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 1 DK2 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；291 K；pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.86 Å R-free 0.212 |
| 2PU2 AmpC beta-lactamase with bound Phthalamide inhibitor 提交 2007-05-08 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | DK2 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；291 K；pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.86 Å R-free 0.212 |
| 2PU4 AmpC beta-lacamase with bound covalent oxadiazole inhibitor 提交 2007-05-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | DMS DIMETHYL SULFOXIDE × 1 OX6 TERT-BUTYL [(1R)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.7；291 K；pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 2.00 Å R-free 0.239 |
| 2PU4 AmpC beta-lacamase with bound covalent oxadiazole inhibitor 提交 2007-05-08 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 2 OX7 TERT-BUTYL [(1S)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.7；291 K；pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 2.00 Å R-free 0.239 |
| 2R9W AmpC beta-lactamase with bound Phthalamide inhibitor 提交 2007-09-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 5 23C 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；291 K；1.7M KiPO4, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.80 Å R-free 0.193 |
| 2R9W AmpC beta-lactamase with bound Phthalamide inhibitor 提交 2007-09-13 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 5 23C 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；291 K；1.7M KiPO4, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.80 Å R-free 0.193 |
| 2R9W AmpC beta-lactamase with bound Phthalamide inhibitor 提交 2007-09-13 | Assembly 3 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
20–377（358 aa）
链 B
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 10 23C 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；291 K；1.7M KiPO4, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.80 Å R-free 0.193 |
| 2R9X AmpC beta-lactamase with bound Phthalamide inhibitor 提交 2007-09-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 4 WH6 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid × 1 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；291 K；1.7M KiPO4, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.90 Å R-free 0.194 |
| 2R9X AmpC beta-lactamase with bound Phthalamide inhibitor 提交 2007-09-13 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 5 WH6 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；291 K；1.7M KiPO4, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.90 Å R-free 0.194 |
| 2R9X AmpC beta-lactamase with bound Phthalamide inhibitor 提交 2007-09-13 | Assembly 3 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
20–377（358 aa）
链 B
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 9 WH6 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid × 2 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；291 K；1.7M KiPO4, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.90 Å R-free 0.194 |
| 2RCX AmpC Beta-lactamase in complex with (1R)-1-(2-Thiophen-2-yl-acetylamino)-1-(3-(2-carboxyvinyl)-phenyl) methylboronic acid 提交 2007-09-20 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | SM4 (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID × 1 PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；potassium phosphate buffer, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.00 Å R-free 0.219 |
| 2RCX AmpC Beta-lactamase in complex with (1R)-1-(2-Thiophen-2-yl-acetylamino)-1-(3-(2-carboxyvinyl)-phenyl) methylboronic acid 提交 2007-09-20 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | SM4 (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；potassium phosphate buffer, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.00 Å R-free 0.219 |
| 3BLS AMPC BETA-LACTAMASE FROM ESCHERICHIA COLI 提交 1998-06-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | APB M-AMINOPHENYLBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.7；PROTEIN WAS CRYSTALLIZED FROM 1.7M NA/K PHOSPHATE, PH 8.7, COCRYSTALLIZED IN THE PRESENCE OF MAPB INHIBITOR. LARGER CRYSTALS WERE GROWN BY MICRO-SEEDING TECHNIQUE.
|
分辨率 2.30 Å |
| 3BLS AMPC BETA-LACTAMASE FROM ESCHERICHIA COLI 提交 1998-06-04 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | APB M-AMINOPHENYLBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.7；PROTEIN WAS CRYSTALLIZED FROM 1.7M NA/K PHOSPHATE, PH 8.7, COCRYSTALLIZED IN THE PRESENCE OF MAPB INHIBITOR. LARGER CRYSTALS WERE GROWN BY MICRO-SEEDING TECHNIQUE.
|
分辨率 2.30 Å |
| 3BM6 AmpC beta-lactamase in complex with a p.carboxyphenylboronic acid 提交 2007-12-12 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
20–377（358 aa）
链 B
20–377（358 aa）
|
未记录 | C9P 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；295 K；potassium phosphate buffer, pH 8.7, vapor diffusion, hanging drop, temperature 295K
|
分辨率 2.10 Å R-free 0.258 |
| 3FKV AmpC K67R mutant complexed with benzo(b)thiophene-2-boronic acid (bzb) 提交 2008-12-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：residues 20-377
|
突变：K67R | BZB BENZO[B]THIOPHENE-2-BORONIC ACID × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；Potassium Phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.85 Å R-free 0.203 |
| 3FKV AmpC K67R mutant complexed with benzo(b)thiophene-2-boronic acid (bzb) 提交 2008-12-17 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
片段：residues 20-377
|
突变：K67R | BZB BENZO[B]THIOPHENE-2-BORONIC ACID × 1 K POTASSIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；Potassium Phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.85 Å R-free 0.203 |
| 3FKV AmpC K67R mutant complexed with benzo(b)thiophene-2-boronic acid (bzb) 提交 2008-12-17 | Assembly 3 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：residues 20-377
链 B
20–377（358 aa）
片段：residues 20-377
|
突变：K67R 突变：K67R | BZB BENZO[B]THIOPHENE-2-BORONIC ACID × 2 PO4 PHOSPHATE ION × 1 K POTASSIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；Potassium Phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.85 Å R-free 0.203 |
| 3FKW AmpC K67R mutant apo structure 提交 2008-12-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：residues 20-377
|
突变：K67R | PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；Potassium Phosphate, pH 8.7, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.50 Å R-free 0.199 |
| 3FKW AmpC K67R mutant apo structure 提交 2008-12-17 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
片段：residues 20-377
|
突变：K67R | PO4 PHOSPHATE ION × 1 K POTASSIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；Potassium Phosphate, pH 8.7, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.50 Å R-free 0.199 |
| 3FKW AmpC K67R mutant apo structure 提交 2008-12-17 | Assembly 3 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：residues 20-377
链 B
20–377（358 aa）
片段：residues 20-377
|
突变：K67R 突变：K67R | PO4 PHOSPHATE ION × 3 K POTASSIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；Potassium Phosphate, pH 8.7, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.50 Å R-free 0.199 |
| 3GQZ AmpC beta-lactamase in complex with Fragment-based Inhibitor 提交 2009-03-24 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | DMS DIMETHYL SULFOXIDE × 2 GF7 (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.7；294 K；1.7M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K, temperature 294.0K
|
分辨率 1.80 Å R-free 0.218 |
| 3GQZ AmpC beta-lactamase in complex with Fragment-based Inhibitor 提交 2009-03-24 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.7；294 K；1.7M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K, temperature 294.0K
|
分辨率 1.80 Å R-free 0.218 |
| 3GR2 AmpC beta-lactamase in complex with Fragment-based Inhibitor 提交 2009-03-24 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | GF4 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.7；294 K；1.7M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
分辨率 1.80 Å R-free 0.229 |
| 3GR2 AmpC beta-lactamase in complex with Fragment-based Inhibitor 提交 2009-03-24 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.7；294 K；1.7M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
分辨率 1.80 Å R-free 0.229 |
| 3GRJ AmpC beta-lactamase in complex with Fragment-based Inhibitor 提交 2009-03-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 3 G14 2-phenyl-1H-imidazole-4-carboxylic acid × 2 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；294 K；400 mM KPi at pH 8.5 with 25% PEG 3350, at 294K, VAPOR DIFFUSION, HANGING DROP
|
分辨率 2.49 Å R-free 0.252 |
| 3GRJ AmpC beta-lactamase in complex with Fragment-based Inhibitor 提交 2009-03-25 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 3 G14 2-phenyl-1H-imidazole-4-carboxylic acid × 1 PEG DI(HYDROXYETHYL)ETHER × 2 DMS DIMETHYL SULFOXIDE × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；294 K；400 mM KPi at pH 8.5 with 25% PEG 3350, at 294K, VAPOR DIFFUSION, HANGING DROP
|
分辨率 2.49 Å R-free 0.252 |
| 3GSG AmpC beta-lactamase in complex with Fragment-based Inhibitor 提交 2009-03-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 4 DMS DIMETHYL SULFOXIDE × 2 GF1 (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.7；298 K；1.7M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.10 Å R-free 0.244 |
| 3GSG AmpC beta-lactamase in complex with Fragment-based Inhibitor 提交 2009-03-26 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 1 DMS DIMETHYL SULFOXIDE × 5 GF1 (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.7；298 K；1.7M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.10 Å R-free 0.244 |
| 3GTC AmpC beta-lactamase in complex with Fragment-based Inhibitor 提交 2009-03-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 2 GTC (1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；298 K；1.7M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K, vapor diffusion, hanging drop, temperature 298K
|
分辨率 1.90 Å R-free 0.247 |
| 3GTC AmpC beta-lactamase in complex with Fragment-based Inhibitor 提交 2009-03-27 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | GTC (1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；298 K；1.7M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K, vapor diffusion, hanging drop, temperature 298K
|
分辨率 1.90 Å R-free 0.247 |
| 3GV9 AmpC beta-lactamase in complex with Fragment-based Inhibitor 提交 2009-03-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | GV9 3-(acetylamino)thiophene-2-carboxylic acid × 3 PO4 PHOSPHATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；400mM KPi at pH 8.5 with 25% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.80 Å R-free 0.246 |
| 3GV9 AmpC beta-lactamase in complex with Fragment-based Inhibitor 提交 2009-03-30 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | GV9 3-(acetylamino)thiophene-2-carboxylic acid × 1 PO4 PHOSPHATE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 DMS DIMETHYL SULFOXIDE × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；400mM KPi at pH 8.5 with 25% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.80 Å R-free 0.246 |
| 3GVB AmpC beta-lactamase in complex with Fragment-based Inhibitor 提交 2009-03-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 4 3GV (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid × 1 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.7；294 K；1.7M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
分辨率 1.80 Å R-free 0.226 |
| 3GVB AmpC beta-lactamase in complex with Fragment-based Inhibitor 提交 2009-03-30 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | DMS DIMETHYL SULFOXIDE × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.7；294 K；1.7M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
分辨率 1.80 Å R-free 0.226 |
| 3IWI X-ray crystal structure of the extended-spectrum AmpC omega loop insertion (H210AAA) mutant beta-lactamase at 1.64 Angstrom resolution 提交 2009-09-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
突变：H210AAA insertion | PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.7M KPi, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.64 Å R-free 0.196 |
| 3IWI X-ray crystal structure of the extended-spectrum AmpC omega loop insertion (H210AAA) mutant beta-lactamase at 1.64 Angstrom resolution 提交 2009-09-02 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：H210AAA insertion | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.7M KPi, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.64 Å R-free 0.196 |
| 3IWO X-ray crystal structure of the extended-spectrum AmpC Y221G mutant beta-lactamase at 1.90 Angstrom resolution 提交 2009-09-03 | Assembly 1 其他组合 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
突变：Y221G | PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；1.7M KPi, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.90 Å R-free 0.197 |
| 3IWO X-ray crystal structure of the extended-spectrum AmpC Y221G mutant beta-lactamase at 1.90 Angstrom resolution 提交 2009-09-03 | Assembly 2 其他组合 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：Y221G | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；1.7M KPi, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.90 Å R-free 0.197 |
| 3IWO X-ray crystal structure of the extended-spectrum AmpC Y221G mutant beta-lactamase at 1.90 Angstrom resolution 提交 2009-09-03 | Assembly 3 其他组合 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
20–377（358 aa）
链 B
20–377（358 aa）
|
突变：Y221G 突变：Y221G | PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；1.7M KPi, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.90 Å R-free 0.197 |
| 3IWQ X-ray crystal structure of the extended-spectrum AmpC E219K mutant beta-lactamase at 1.84 Angstrom resolution 提交 2009-09-03 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
20–377（358 aa）
链 B
20–377（358 aa）
|
突变：E219K 突变：E219K | PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；1.7M KPi, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.84 Å R-free 0.195 |
| 3IWQ X-ray crystal structure of the extended-spectrum AmpC E219K mutant beta-lactamase at 1.84 Angstrom resolution 提交 2009-09-03 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
20–377（358 aa）
链 B
20–377（358 aa）
|
突变：E219K 突变：E219K | PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；1.7M KPi, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.84 Å R-free 0.195 |
| 3IXB X-ray crystal structure of the extended-spectrum AmpC E219K mutant beta-lactamase complexed with benzo(b)thiophene-2-boronic acid (BZB) at 1.63 Angstrom resolution 提交 2009-09-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：E219K | PO4 PHOSPHATE ION × 1 BZB BENZO[B]THIOPHENE-2-BORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；1.7M KPi, pH 8.7, 360 uM benzo(b)thiophene-2-boronic acid, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.63 Å R-free 0.208 |
| 3IXB X-ray crystal structure of the extended-spectrum AmpC E219K mutant beta-lactamase complexed with benzo(b)thiophene-2-boronic acid (BZB) at 1.63 Angstrom resolution 提交 2009-09-03 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
突变：E219K | PO4 PHOSPHATE ION × 1 BZB BENZO[B]THIOPHENE-2-BORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；1.7M KPi, pH 8.7, 360 uM benzo(b)thiophene-2-boronic acid, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.63 Å R-free 0.208 |
| 3IXD X-ray crystal structure of the extended-spectrum AmpC V298E mutant beta-lactamase at 2.64 Angstrom resolution 提交 2009-09-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
突变：V298E | SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；30% PEG 8000, 0.1M Na cacodylate, 0.2 M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.64 Å R-free 0.236 |
| 3IXD X-ray crystal structure of the extended-spectrum AmpC V298E mutant beta-lactamase at 2.64 Angstrom resolution 提交 2009-09-03 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：V298E | SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；30% PEG 8000, 0.1M Na cacodylate, 0.2 M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.64 Å R-free 0.236 |
| 3IXG X-ray crystal structure of the extended-spectrum AmpC T70I mutant beta-lactamase with and without benzo(b)thiophene-2-boronic acid bound at 2.14 Angstrom resolution 提交 2009-09-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
突变：T70I | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.7M KPi, pH 8.0, 360 uM benzo(b)thiophene-2-boronic acid, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.14 Å R-free 0.245 |
| 3IXG X-ray crystal structure of the extended-spectrum AmpC T70I mutant beta-lactamase with and without benzo(b)thiophene-2-boronic acid bound at 2.14 Angstrom resolution 提交 2009-09-04 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：T70I | BZB BENZO[B]THIOPHENE-2-BORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.7M KPi, pH 8.0, 360 uM benzo(b)thiophene-2-boronic acid, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.14 Å R-free 0.245 |
| 3IXG X-ray crystal structure of the extended-spectrum AmpC T70I mutant beta-lactamase with and without benzo(b)thiophene-2-boronic acid bound at 2.14 Angstrom resolution 提交 2009-09-04 | Assembly 3 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
20–377（358 aa）
链 B
20–377（358 aa）
|
突变：T70I 突变：T70I | BZB BENZO[B]THIOPHENE-2-BORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.7M KPi, pH 8.0, 360 uM benzo(b)thiophene-2-boronic acid, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.14 Å R-free 0.245 |
| 3IXH X-ray crystal structure of the extended-spectrum AmpC Y221G mutant beta-lactamase in complex with cefotaxime at 2.3 Angstrom resolution 提交 2009-09-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
突变：Y221G | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；1.7M KPi, pH 8.7, vapor diffusion, hanging drop, temperature 293K
|
分辨率 2.30 Å R-free 0.248 |
| 3IXH X-ray crystal structure of the extended-spectrum AmpC Y221G mutant beta-lactamase in complex with cefotaxime at 2.3 Angstrom resolution 提交 2009-09-04 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：Y221G | CEF CEFOTAXIME, C3' cleaved, open, bound form × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；1.7M KPi, pH 8.7, vapor diffusion, hanging drop, temperature 293K
|
分辨率 2.30 Å R-free 0.248 |
| 3O86 Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor 提交 2010-08-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：Beta-lactamase
|
未记录 | BSF {[(benzylsulfonyl)amino]methyl}boronic acid × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；1.7 M Potassium Phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.60 Å R-free 0.193 |
| 3O86 Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor 提交 2010-08-02 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
片段：Beta-lactamase
|
未记录 | BSF {[(benzylsulfonyl)amino]methyl}boronic acid × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；1.7 M Potassium Phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.60 Å R-free 0.193 |
| 3O87 Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor 提交 2010-08-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：Beta-lactamase
|
未记录 | BSG 4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；1.7 M Potassium Phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.78 Å R-free 0.232 |
| 3O87 Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor 提交 2010-08-02 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
片段：Beta-lactamase
|
未记录 | BSG 4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；1.7 M Potassium Phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.78 Å R-free 0.232 |
| 3O88 Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor 提交 2010-08-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：Beta-lactamase
|
未记录 | BSH 3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；1.7 M Potassium Phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.64 Å R-free 0.210 |
| 3O88 Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor 提交 2010-08-02 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
片段：Beta-lactamase
|
未记录 | BSH 3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；1.7 M Potassium Phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.64 Å R-free 0.210 |
| 4E3I Crystal structure of AmpC beta-lactamase in complex with a designed 3-carboxyl benzyl sulfonamide boronic acid inhibitor 提交 2012-03-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | 0N3 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid × 1 PO4 PHOSPHATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.60 Å R-free 0.189 |
| 4E3I Crystal structure of AmpC beta-lactamase in complex with a designed 3-carboxyl benzyl sulfonamide boronic acid inhibitor 提交 2012-03-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | 0N3 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid × 1 PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.60 Å R-free 0.189 |
| 4E3J Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl benzene sulfonamide boronic acid inhibitor 提交 2012-03-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | 0N4 [({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.80 Å R-free 0.221 |
| 4E3J Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl benzene sulfonamide boronic acid inhibitor 提交 2012-03-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | 0N4 [({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.80 Å R-free 0.221 |
| 4E3K Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl pyridine sulfonamide boronic acid inhibitor 提交 2012-03-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | 0NA [({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid × 1 PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.43 Å R-free 0.199 |
| 4E3K Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl pyridine sulfonamide boronic acid inhibitor 提交 2012-03-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | 0NA [({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.43 Å R-free 0.199 |
| 4E3L Crystal structure of AmpC beta-lactamase in complex with a 3-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor 提交 2012-03-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | 0NB [({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid × 1 PO4 PHOSPHATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.43 Å R-free 0.185 |
| 4E3L Crystal structure of AmpC beta-lactamase in complex with a 3-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor 提交 2012-03-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | 0NB [({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid × 2 PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.43 Å R-free 0.185 |
| 4E3M Crystal structure of AmpC beta-lactamase in complex with a 2-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor 提交 2012-03-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | 0ND [({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.44 Å R-free 0.193 |
| 4E3M Crystal structure of AmpC beta-lactamase in complex with a 2-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor 提交 2012-03-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | 0ND [({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid × 1 PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.44 Å R-free 0.193 |
| 4E3N Crystal structure of AmpC beta-lactamase in complex with a 2-trifluoromethyl-4-tetrazolyl benzene sulfonamide boronic acid inhibitor 提交 2012-03-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | 0NE [({[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.49 Å R-free 0.188 |
| 4E3N Crystal structure of AmpC beta-lactamase in complex with a 2-trifluoromethyl-4-tetrazolyl benzene sulfonamide boronic acid inhibitor 提交 2012-03-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | 0NE [({[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid × 1 PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.49 Å R-free 0.188 |
| 4E3O Crystal structure of AmpC beta-lactamase in complex with a small chloromethyl sulfonamide boronic acid inhibitor 提交 2012-03-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | 0NG ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid × 1 PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.60 Å R-free 0.185 |
| 4E3O Crystal structure of AmpC beta-lactamase in complex with a small chloromethyl sulfonamide boronic acid inhibitor 提交 2012-03-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | 0NG ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid × 1 PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.60 Å R-free 0.185 |
| 4JXG Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Oxacillin 提交 2013-03-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | 1S6 (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 3.5mg/ml AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.65 Å R-free 0.185 |
| 4JXG Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Oxacillin 提交 2013-03-28 | Assembly 2 其他组合 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | 1S6 (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 3.5mg/ml AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.65 Å R-free 0.185 |
| 4JXS X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-[(4-CARBOXYBENZYL)SULFAMOYL]THIOPHENE-2-CARBOXYLIC ACID (compound 4) 提交 2013-03-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate; 3.5 mg/mL AmpC , pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.90 Å R-free 0.212 |
| 4JXS X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-[(4-CARBOXYBENZYL)SULFAMOYL]THIOPHENE-2-CARBOXYLIC ACID (compound 4) 提交 2013-03-28 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | 18U 3-[(4-carboxybenzyl)sulfamoyl]thiophene-2-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate; 3.5 mg/mL AmpC , pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.90 Å R-free 0.212 |
| 4JXS X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-[(4-CARBOXYBENZYL)SULFAMOYL]THIOPHENE-2-CARBOXYLIC ACID (compound 4) 提交 2013-03-28 | Assembly 3 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
20–377（358 aa）
链 B
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 2 18U 3-[(4-carboxybenzyl)sulfamoyl]thiophene-2-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate; 3.5 mg/mL AmpC , pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.90 Å R-free 0.212 |
| 4JXV X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-{[2-(4-CARBOXYPHENYL)ETHYL]SULFAMOYL}THIOPHENE-2-CARBOXYLIC ACID (compound 5) 提交 2013-03-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | 1MU 3-{[2-(4-carboxyphenyl)ethyl]sulfamoyl}thiophene-2-carboxylic acid × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, 3.5 mg/mL AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.76 Å R-free 0.232 |
| 4JXV X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-{[2-(4-CARBOXYPHENYL)ETHYL]SULFAMOYL}THIOPHENE-2-CARBOXYLIC ACID (compound 5) 提交 2013-03-28 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | 1MU 3-{[2-(4-carboxyphenyl)ethyl]sulfamoyl}thiophene-2-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, 3.5 mg/mL AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.76 Å R-free 0.232 |
| 4JXV X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-{[2-(4-CARBOXYPHENYL)ETHYL]SULFAMOYL}THIOPHENE-2-CARBOXYLIC ACID (compound 5) 提交 2013-03-28 | Assembly 3 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
20–377（358 aa）
链 B
20–377（358 aa）
|
未记录 | 1MU 3-{[2-(4-carboxyphenyl)ethyl]sulfamoyl}thiophene-2-carboxylic acid × 2 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, 3.5 mg/mL AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.76 Å R-free 0.232 |
| 4JXW X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-{[3-(4-CARBOXYPHENYL)PROPYL]SULFAMOYL}THIOPHENE-2-CARBOXYLIC ACID (compound 6) 提交 2013-03-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | 1MW 3-{[3-(4-carboxyphenyl)propyl]sulfamoyl}thiophene-2-carboxylic acid × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, 3.5 mg/mL AmpC , pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.30 Å R-free 0.257 |
| 4JXW X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-{[3-(4-CARBOXYPHENYL)PROPYL]SULFAMOYL}THIOPHENE-2-CARBOXYLIC ACID (compound 6) 提交 2013-03-28 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | 1MW 3-{[3-(4-carboxyphenyl)propyl]sulfamoyl}thiophene-2-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, 3.5 mg/mL AmpC , pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.30 Å R-free 0.257 |
| 4JXW X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-{[3-(4-CARBOXYPHENYL)PROPYL]SULFAMOYL}THIOPHENE-2-CARBOXYLIC ACID (compound 6) 提交 2013-03-28 | Assembly 3 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
20–377（358 aa）
链 B
20–377（358 aa）
|
未记录 | 1MW 3-{[3-(4-carboxyphenyl)propyl]sulfamoyl}thiophene-2-carboxylic acid × 2 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, 3.5 mg/mL AmpC , pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.30 Å R-free 0.257 |
| 4KEN Crystal Structure of AmpC beta-lactamase N152G Mutant in Complex with Cefoxitin 提交 2013-04-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：N152G | PO4 PHOSPHATE ION × 2 1S7 (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 3.5mg/ml AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.89 Å R-free 0.200 |
| 4KG2 Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Cefotaxime 提交 2013-04-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 1 CEF CEFOTAXIME, C3' cleaved, open, bound form × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 3.5mg/ml AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.89 Å R-free 0.236 |
| 4KG2 Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Cefotaxime 提交 2013-04-28 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 3 CEF CEFOTAXIME, C3' cleaved, open, bound form × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 3.5mg/ml AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.89 Å R-free 0.236 |
| 4KG2 Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Cefotaxime 提交 2013-04-28 | Assembly 3 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
20–377（358 aa）
链 B
20–377（358 aa）
|
未记录 | PO4 PHOSPHATE ION × 4 CEF CEFOTAXIME, C3' cleaved, open, bound form × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 3.5mg/ml AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.89 Å R-free 0.236 |
| 4KG5 Crystal Structure of AmpC beta-lactamase N152G Mutant in Complex with Cefotaxime 提交 2013-04-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
突变：N152G | PO4 PHOSPHATE ION × 3 CEF CEFOTAXIME, C3' cleaved, open, bound form × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 3.5mg/ml AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.11 Å R-free 0.232 |
| 4KG5 Crystal Structure of AmpC beta-lactamase N152G Mutant in Complex with Cefotaxime 提交 2013-04-28 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：N152G | PO4 PHOSPHATE ION × 1 CEF CEFOTAXIME, C3' cleaved, open, bound form × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 3.5mg/ml AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.11 Å R-free 0.232 |
| 4KG5 Crystal Structure of AmpC beta-lactamase N152G Mutant in Complex with Cefotaxime 提交 2013-04-28 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
20–377（358 aa）
|
突变：N152G | CEF CEFOTAXIME, C3' cleaved, open, bound form × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 3.5mg/ml AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.11 Å R-free 0.232 |
| 4KG5 Crystal Structure of AmpC beta-lactamase N152G Mutant in Complex with Cefotaxime 提交 2013-04-28 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
20–377（358 aa）
|
突变：N152G | PO4 PHOSPHATE ION × 1 CEF CEFOTAXIME, C3' cleaved, open, bound form × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 3.5mg/ml AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.11 Å R-free 0.232 |
| 4KG6 Crystal Structure of AmpC beta-lactamase N152G Mutant from E. coli 提交 2013-04-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
突变：N152G | PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 3.5mg/ml AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.75 Å R-free 0.200 |
| 4KG6 Crystal Structure of AmpC beta-lactamase N152G Mutant from E. coli 提交 2013-04-28 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
突变：N152G | PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 3.5mg/ml AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.75 Å R-free 0.200 |
| 4KG6 Crystal Structure of AmpC beta-lactamase N152G Mutant from E. coli 提交 2013-04-28 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
20–377（358 aa）
|
突变：N152G | PO4 PHOSPHATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 3.5mg/ml AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.75 Å R-free 0.200 |
| 4KG6 Crystal Structure of AmpC beta-lactamase N152G Mutant from E. coli 提交 2013-04-28 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
20–377（358 aa）
|
突变：N152G | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7M potassium phosphate, 3.5mg/ml AmpC, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.75 Å R-free 0.200 |
| 4KZ3 Crystal structure of AmpC beta-lactamase in complex with fragment 44 (5-chloro-3-sulfamoylthiophene-2-carboxylic acid) 提交 2013-05-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：UNP residues 20-377
|
未记录 | 1U1 5-chloro-3-sulfamoylthiophene-2-carboxylic acid × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.67 Å R-free 0.184 |
| 4KZ3 Crystal structure of AmpC beta-lactamase in complex with fragment 44 (5-chloro-3-sulfamoylthiophene-2-carboxylic acid) 提交 2013-05-29 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
片段：UNP residues 20-377
|
未记录 | 1U1 5-chloro-3-sulfamoylthiophene-2-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.67 Å R-free 0.184 |
| 4KZ4 Crystal structure of AmpC beta-lactamase in complex with fragment 60 (2-[(propylsulfonyl)amino]benzoic acid) 提交 2013-05-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：UNP residues 20-377
|
未记录 | PO4 PHOSPHATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.42 Å R-free 0.176 |
| 4KZ4 Crystal structure of AmpC beta-lactamase in complex with fragment 60 (2-[(propylsulfonyl)amino]benzoic acid) 提交 2013-05-29 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
片段：UNP residues 20-377
|
未记录 | 4A1 2-[(propylsulfonyl)amino]benzoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.42 Å R-free 0.176 |
| 4KZ5 Crystal structure of AmpC beta-lactamase in complex with fragment 5 (N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine) 提交 2013-05-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：UNP residues 20-377
|
未记录 | 1U3 N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine × 1 PO4 PHOSPHATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.35 Å R-free 0.156 |
| 4KZ5 Crystal structure of AmpC beta-lactamase in complex with fragment 5 (N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine) 提交 2013-05-29 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
片段：UNP residues 20-377
|
未记录 | 1U3 N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.35 Å R-free 0.156 |
| 4KZ6 Crystal structure of AmpC beta-lactamase in complex with fragment 13 ((2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid) 提交 2013-05-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：UNP residues 20-377
|
未记录 | PO4 PHOSPHATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.68 Å R-free 0.178 |
| 4KZ6 Crystal structure of AmpC beta-lactamase in complex with fragment 13 ((2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid) 提交 2013-05-29 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
片段：UNP residues 20-377
|
未记录 | PO4 PHOSPHATE ION × 1 ZB6 (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.68 Å R-free 0.178 |
| 4KZ7 Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid) 提交 2013-05-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：UNP residues 20-377
|
未记录 | 1U5 (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.43 Å R-free 0.179 |
| 4KZ7 Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid) 提交 2013-05-29 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
片段：UNP residues 20-377
|
未记录 | 1U5 (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.43 Å R-free 0.179 |
| 4KZ8 Crystal structure of AmpC beta-lactamase in complex with fragment 20 (1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione) 提交 2013-05-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：UNP residues 20-377
|
未记录 | 1U6 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione × 2 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.28 Å R-free 0.213 |
| 4KZ8 Crystal structure of AmpC beta-lactamase in complex with fragment 20 (1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione) 提交 2013-05-29 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
片段：UNP residues 20-377
|
未记录 | 1U6 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.28 Å R-free 0.213 |
| 4KZ9 Crystal structure of AmpC beta-lactamase in complex with fragment 41 ((4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol) 提交 2013-05-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：UNP residues 20-377
|
未记录 | PO4 PHOSPHATE ION × 3 1U7 (4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.72 Å R-free 0.193 |
| 4KZ9 Crystal structure of AmpC beta-lactamase in complex with fragment 41 ((4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol) 提交 2013-05-29 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
片段：UNP residues 20-377
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.72 Å R-free 0.193 |
| 4KZA Crystal structure of AmpC beta-lactamase in complex with fragment 48 (3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid) 提交 2013-05-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：UNP residues 20-377
|
未记录 | NZ9 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid × 5 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.60 Å R-free 0.189 |
| 4KZA Crystal structure of AmpC beta-lactamase in complex with fragment 48 (3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid) 提交 2013-05-29 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
片段：UNP residues 20-377
|
未记录 | NZ9 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.60 Å R-free 0.189 |
| 4KZB Crystal structure of AmpC beta-lactamase in complex with fragment 50 (N-(methylsulfonyl)-N-phenyl-alanine) 提交 2013-05-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：UNP residues 20-377
|
未记录 | NZ2 N-(methylsulfonyl)-N-phenyl-L-alanine × 3 NZ3 N-(methylsulfonyl)-N-phenyl-D-alanine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.37 Å R-free 0.168 |
| 4KZB Crystal structure of AmpC beta-lactamase in complex with fragment 50 (N-(methylsulfonyl)-N-phenyl-alanine) 提交 2013-05-29 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
片段：UNP residues 20-377
|
未记录 | NZ2 N-(methylsulfonyl)-N-phenyl-L-alanine × 2 NZ3 N-(methylsulfonyl)-N-phenyl-D-alanine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.37 Å R-free 0.168 |
| 4LV0 AmpC beta-lactamase in complex with m-aminophenyl boronic acid 提交 2013-07-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | APB M-AMINOPHENYLBORONIC ACID × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.65 Å R-free 0.194 |
| 4LV0 AmpC beta-lactamase in complex with m-aminophenyl boronic acid 提交 2013-07-25 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | APB M-AMINOPHENYLBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.65 Å R-free 0.194 |
| 4LV1 AmpC beta-lactamase in complex with [1-(3-chlorophenyl)-1H-pyrazol-4-yl] boronic acid 提交 2013-07-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | NL9 [1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid × 2 PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.74 Å R-free 0.195 |
| 4LV1 AmpC beta-lactamase in complex with [1-(3-chlorophenyl)-1H-pyrazol-4-yl] boronic acid 提交 2013-07-25 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | NL9 [1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.74 Å R-free 0.195 |
| 4LV2 AmpC beta-lactamase in complex with [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl] boronic acid 提交 2013-07-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | N95 [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.65 Å R-free 0.193 |
| 4LV2 AmpC beta-lactamase in complex with [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl] boronic acid 提交 2013-07-25 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | N95 [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid × 2 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.65 Å R-free 0.193 |
| 4LV3 AmpC beta-lactamase in complex with (3,5-di-tert-butylphenyl) boronic acid 提交 2013-07-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | 25N (3,5-di-tert-butylphenyl)boronic acid × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.42 Å R-free 0.192 |
| 4LV3 AmpC beta-lactamase in complex with (3,5-di-tert-butylphenyl) boronic acid 提交 2013-07-25 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | 25N (3,5-di-tert-butylphenyl)boronic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.42 Å R-free 0.192 |
| 4OKP Crystal structure of AmpC beta-lactamase in complex with the product form of 7-amino-desacetoxycephalosporanic acid 提交 2014-01-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：Beta-lactamase
|
未记录 | PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.6；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.37 Å R-free 0.165 |
| 4OKP Crystal structure of AmpC beta-lactamase in complex with the product form of 7-amino-desacetoxycephalosporanic acid 提交 2014-01-22 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
片段：Beta-lactamase
|
未记录 | 2V0 (2R)-2-[(R)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.6；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.37 Å R-free 0.165 |
| 4OLD Crystal structure of AmpC beta-lactamase in complex with the product form of (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 提交 2014-01-23 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
片段：Beta-lactamase
|
未记录 | 2UZ (2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid × 1 PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.6；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.48 Å R-free 0.188 |
| 4OLD Crystal structure of AmpC beta-lactamase in complex with the product form of (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 提交 2014-01-23 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
片段：Beta-lactamase
|
未记录 | 2UZ (2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.6；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.48 Å R-free 0.188 |
| 4OLG Crystal structure of AmpC beta-lactamase in complex with covalently bound N-formyl 7-aminocephalosporanic acid 提交 2014-01-23 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
20–377（358 aa）
链 B
20–377（358 aa）
|
未记录 | 2TV (2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid × 2 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.6；293 K；1.7 M POTASSIUM PHOSPHATE, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.71 Å R-free 0.200 |
| 6DPT X-ray crystal structure of AmpC beta-lactamase with nanomolar inhibitor 提交 2018-06-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | H7M 3-chloro-2-hydroxy-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, pH 8.7
|
分辨率 1.79 Å R-free 0.219 |
| 6DPT X-ray crystal structure of AmpC beta-lactamase with nanomolar inhibitor 提交 2018-06-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | H7M 3-chloro-2-hydroxy-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；296 K；1.7 M potassium phosphate, pH 8.7
|
分辨率 1.79 Å R-free 0.219 |
| 6DPX X-ray crystal structure of AmpC beta-lactamase with inhibitor 提交 2018-06-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | H7G (3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.6；294 K；1.7M potassium phosphate, pH 8.7
|
分辨率 1.90 Å R-free 0.204 |
| 6DPX X-ray crystal structure of AmpC beta-lactamase with inhibitor 提交 2018-06-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | H7G (3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.6；294 K；1.7M potassium phosphate, pH 8.7
|
分辨率 1.90 Å R-free 0.204 |
| 6DPY X-ray crystal structure of AmpC beta-lactamase with inhibitor 提交 2018-06-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | H7A 4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；294 K；1.7M potassium phosphate, pH 8.7
|
分辨率 1.91 Å R-free 0.232 |
| 6DPY X-ray crystal structure of AmpC beta-lactamase with inhibitor 提交 2018-06-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | H7A 4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.7；294 K；1.7M potassium phosphate, pH 8.7
|
分辨率 1.91 Å R-free 0.232 |
| 6DPZ X-ray crystal structure of AmpC beta-lactamase with inhibitor 提交 2018-06-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | H7D (1R,2S)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；294 K；1.7M potassium phosphate
|
分辨率 1.50 Å R-free 0.223 |
| 6DPZ X-ray crystal structure of AmpC beta-lactamase with inhibitor 提交 2018-06-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | H7D (1R,2S)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；294 K；1.7M potassium phosphate
|
分辨率 1.50 Å R-free 0.223 |
| 6T35 Crystal structure of AmpC from E.coli with Enmetazobactam (AAI-101) 提交 2019-10-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | SO4 SULFATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 M9W Enmetazobactam derived trans-enamine adduct × 1 ZN ZINC ION × 3 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；30% w/v PEG6000, 0.01 M ZnCl2, 0.1 M MES pH = 6.0
|
分辨率 1.75 Å R-free 0.184 |
| 6T3D Crystal structure of AmpC from E.coli 提交 2019-10-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；25% w/v PEG6000, 0.01 M ZnCl2, 0.1 M MES pH = 6.0
|
分辨率 1.50 Å R-free 0.178 |
| 6T5Y Crystal structure of AmpC from E.coli with Zidebactam (WCK 5107) 提交 2019-10-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PEG DI(HYDROXYETHYL)ETHER × 1 C8V (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；24% w/v PEG6000, 0.01 ZnCl2, 0.1 M MES pH=6.0
|
分辨率 1.30 Å R-free 0.149 |
| 6T7L Crystal structure of AmpC from E.coli with Nacubactam (OP0595) 提交 2019-10-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 OP0 (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1 PGE TRIETHYLENE GLYCOL × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；298 K；29% w/v PEG6000, 0.01 M ZnCl2, 0.1 M MES pH=6.0
|
分辨率 1.47 Å R-free 0.182 |
| 6TBW Crystal structure of AmpC from E.coli with Avibactam 提交 2019-11-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PGE TRIETHYLENE GLYCOL × 1 NXL (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide × 1 ZN ZINC ION × 2 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；25% w/v PEG6000, 0.01 M ZnCl2, 0.1 M MES pH=6.0
|
分辨率 1.51 Å R-free 0.181 |
| 6TPM Crystal structure of AmpC from E.coli with Relebactam (MK-7655) 提交 2019-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | PEG DI(HYDROXYETHYL)ETHER × 1 MK7 (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide × 1 ZN ZINC ION × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；273 K；26% PEG6000, 0.01 M ZnCl2, 0.1 M MES pH=6.0
|
分辨率 1.72 Å R-free 0.195 |
| 6YEN Crystal structure of AmpC from E. coli with Taniborbactam (VNRX-5133) 提交 2020-03-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | KJK (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 3 K9K (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide × 1 ZN ZINC ION × 2 CL CHLORIDE ION × 3 NA SODIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；0.1 M MES pH 6.0, 15 % PEG6000, 0.01 M ZnCl2
|
分辨率 1.42 Å R-free 0.169 |
| 6YEO Crystal structure of AmpC from E. coli with cyclic boronate 2 提交 2020-03-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | OK3 (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 NA SODIUM ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；16 mg/mL AmpC, 20 mM cyclic boronate inhibitor, 0.15 M HEPES pH 7.5, 65 % MDP
|
分辨率 2.04 Å R-free 0.203 |
| 6YEO Crystal structure of AmpC from E. coli with cyclic boronate 2 提交 2020-03-25 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
20–377（358 aa）
|
未记录 | OK3 (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；16 mg/mL AmpC, 20 mM cyclic boronate inhibitor, 0.15 M HEPES pH 7.5, 65 % MDP
|
分辨率 2.04 Å R-free 0.203 |
| 6YEO Crystal structure of AmpC from E. coli with cyclic boronate 2 提交 2020-03-25 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
20–377（358 aa）
|
未记录 | OK3 (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid × 1 GOL GLYCEROL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；16 mg/mL AmpC, 20 mM cyclic boronate inhibitor, 0.15 M HEPES pH 7.5, 65 % MDP
|
分辨率 2.04 Å R-free 0.203 |
| 6YEO Crystal structure of AmpC from E. coli with cyclic boronate 2 提交 2020-03-25 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
20–377（358 aa）
|
未记录 | OK3 (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；16 mg/mL AmpC, 20 mM cyclic boronate inhibitor, 0.15 M HEPES pH 7.5, 65 % MDP
|
分辨率 2.04 Å R-free 0.203 |
| 6YPD Crystal structure of AmpC from E. coli with Cyclic Boronate 3 (CB3 / APC308) 提交 2020-04-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–377（358 aa）
|
未记录 | KL8 (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid × 1 PEG DI(HYDROXYETHYL)ETHER × 2 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 2 CL CHLORIDE ION × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；25% (w/v) PEG6000, 0.01 M ZnCl2, 0.1 M MES pH 6.0
|
分辨率 1.60 Å R-free 0.187 |
| 9C6P X-ray crystal structure of AmpC beta-lactamase with inhibitor 提交 2024-06-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–377（377 aa）
|
未记录 | A1AUT 3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293.15 K；2M KPI; pH 8.56
|
分辨率 1.66 Å R-free 0.210 |
| 9C6P X-ray crystal structure of AmpC beta-lactamase with inhibitor 提交 2024-06-08 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
1–377（377 aa）
|
未记录 | A1AUT 3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293.15 K；2M KPI; pH 8.56
|
分辨率 1.66 Å R-free 0.210 |
| 9C81 X-ray crystal structure of AmpC beta-lactamase with inhibitor 提交 2024-06-11 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–377（377 aa）
|
未记录 | A1AU0 (2R)-2-phenoxy-3-{[(1S,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carbonyl]amino}propanoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293.15 K；1.7M KPI; pH 8.7
|
分辨率 1.70 Å R-free 0.214 |
| 9C81 X-ray crystal structure of AmpC beta-lactamase with inhibitor 提交 2024-06-11 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
1–377（377 aa）
|
未记录 | A1AU0 (2R)-2-phenoxy-3-{[(1S,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carbonyl]amino}propanoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293.15 K；1.7M KPI; pH 8.7
|
分辨率 1.70 Å R-free 0.214 |
| 9C83 X-ray crystal structure of AmpC beta-lactamase with inhibitor 提交 2024-06-11 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–377（377 aa）
|
未记录 | A1AUZ N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293.15 K；2M KPI; pH 8.56
|
分辨率 2.90 Å R-free 0.377 |
| 9C83 X-ray crystal structure of AmpC beta-lactamase with inhibitor 提交 2024-06-11 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
1–377（377 aa）
|
未记录 | A1AUZ N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293.15 K；2M KPI; pH 8.56
|
分辨率 2.90 Å R-free 0.377 |
| 9C84 X-ray crystal structure of AmpC beta-lactamase with inhibitor 提交 2024-06-12 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–377（377 aa）
|
未记录 | A1AU1 3,5-dichloro-N-(8-fluoroisoquinolin-5-yl)-2-hydroxybenzene-1-sulfonamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293.15 K；2M KPI; pH 8.56
|
分辨率 1.70 Å R-free 0.188 |
| 9C84 X-ray crystal structure of AmpC beta-lactamase with inhibitor 提交 2024-06-12 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
1–377（377 aa）
|
未记录 | A1AU1 3,5-dichloro-N-(8-fluoroisoquinolin-5-yl)-2-hydroxybenzene-1-sulfonamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293.15 K；2M KPI; pH 8.56
|
分辨率 1.70 Å R-free 0.188 |
| 9DHL X-ray crystal structure of AmpC beta-lactamase with inhibitor 提交 2024-09-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–377（377 aa）
|
未记录 | A1AU5 N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293.15 K；2M KPI; pH 8.56
|
分辨率 1.88 Å R-free 0.180 |
| 9DHL X-ray crystal structure of AmpC beta-lactamase with inhibitor 提交 2024-09-04 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
1–377（377 aa）
|
未记录 | A1AU5 N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293.15 K；2M KPI; pH 8.56
|
分辨率 1.88 Å R-free 0.180 |