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8fh5

Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And AT-001

Method: X-RAY DIFFRACTION Dmax: 62.0 Å Quality: GOOD
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1. 蛋白身份与相关结构 Protein Identity & Related Structures

Aldo-keto reductase family 1 member B1

Homo sapiens

UniProt P15121

当前结构中的状态

Assembly 聚集状态 构建体 突变与修饰 配体、离子与共同组分 实验方法与环境 结构质量
1 蛋白单体 单体 蛋白 × 1 PDB 声明：monomeric（1） 与蛋白拷贝数一致 链 A； UniProt 2–316 未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 XXQ (8-oxo-7-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl)acetic acid × 1 X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；25% PEG 3350, 100 mM Bis-Tris 分辨率 1.62 Å R-free 0.167

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly， “相对当前条目”直接指出证据层面的不同；没有差异标签表示当前已读取字段一致。

其他 PDB 相对当前条目 8FH5 Assembly / 聚集状态 构建体 突变与修饰 配体、离子与非聚合物 实验方法与环境 结构质量
1ABN THE CRYSTAL STRUCTURE OF THE ALDOSE REDUCTASE NADPH BINARY COMPLEX 提交 1992-09-03 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–315（315 aa）
未记录 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 2.40 Å
1ADS AN UNLIKELY SUGAR SUBSTRATE SITE IN THE 1.65 ANGSTROMS STRUCTURE OF THE HUMAN ALDOSE REDUCTASE HOLOENZYME IMPLICATED IN DIABETIC COMPLICATIONS 提交 1992-07-08 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–315（315 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 1.65 Å
1AZ1 ALRESTATIN BOUND TO C298A/W219Y MUTANT HUMAN ALDOSE REDUCTASE 提交 1997-11-24 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–315（315 aa）
突变：W219Y, C298A NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ALR ALRESTATIN × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 6.5；pH 6.5
分辨率 1.80 Å R-free 0.232
1AZ2 CITRATE BOUND, C298A/W219Y MUTANT HUMAN ALDOSE REDUCTASE 提交 1997-11-24 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–315（315 aa）
突变：W219Y, C298A NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 6.5；pH 6.5
分辨率 2.90 Å
1EF3 FIDARESTAT BOUND TO HUMAN ALDOSE REDUCTASE 提交 2000-02-06 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric
链 A 1–315（315 aa）
链 B 1–315（315 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 2 FID (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.8M ammonium sulfate, 2% PEG400, 0.1 M HEPES, PH 7.5, VAPOR DIFFUSION, HANGING DROP
分辨率 2.80 Å R-free 0.278
1EL3 HUMAN ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR 提交 2000-03-13 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 I84 [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；15 MG/ML AR, 5% PEG 6000, 50 MM AMMONIUM CITRATE PH 5.0 (DROP), 20% PEG 6000, 120 MM AMMONIUM CITRATE PH 5.0 (RESERVOIR), VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
分辨率 1.70 Å R-free 0.192
1IEI CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH THE INHIBITOR ZENARESTAT. 提交 2001-04-09 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ZES [3-(4-BROMO-2-FLUORO-BENZYL)-7-CHLORO-2,4-DIOXO-3,4-DIHYDRO-2H-QUINAZOLIN-1-YL]-ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；PEG6000, sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.50 Å R-free 0.199
1MAR REFINED 1.8 ANGSTROMS STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH THE POTENT INHIBITOR ZOPOLRESTAT 提交 1993-07-20 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–315（315 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ZST 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID × 1 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 1.80 Å
1PWL Crystal structure of human Aldose Reductase complexed with NADP and Minalrestat 提交 2003-07-02 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 BFI 2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；PEG 6000, ammonium citrate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 1.10 Å R-free 0.125
1PWM Crystal structure of human Aldose Reductase complexed with NADP and Fidarestat 提交 2003-07-02 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 CL CHLORIDE ION × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 FID (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；PEG 6000, ammonium citrate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 0.92 Å R-free 0.129
1T40 Crystal structure of human aldose reductase complexed with NADP and IDD552 at ph 5 提交 2004-04-28 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 0–315（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ID5 [5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；300 K；PEG 6000, AMMONIUM CITRATE, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 300K
分辨率 1.80 Å R-free 0.193
1T41 Crystal structure of human aldose reductase complexed with NADP and IDD552 提交 2004-04-28 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 0–315（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ID5 [5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；300 K；PEG6000, TrisHCl Buffer, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 300K
分辨率 1.05 Å R-free 0.133
1US0 Human Aldose Reductase in complex with NADP+ and the inhibitor IDD594 at 0.66 Angstrom 提交 2003-11-16 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LDT IDD594 × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 5；AS DESCRIBED IN LAMOUR ET AL. (1999) ACTA CRYSTALL. SECTION D 55:721-723, pH 5.00
分辨率 0.66 Å R-free 0.103
1X96 Crystal structure of Aldose Reductase with citrates bound in the active site 提交 2004-08-19 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；PEG 6000, AMMONIUM CITRATE, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 1.40 Å R-free 0.201
1X97 Crystal structure of Aldose Reductase complexed with 2R4S (Stereoisomer of Fidarestat, 2S4S) 提交 2004-08-19 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 FIR (2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；PEG 6000, AMMONIUM CITRATE, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 1.40 Å R-free 0.236
1X98 Crystal structure of Aldose Reductase complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S) 提交 2004-08-19 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CIT CITRIC ACID × 1 FIS (2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；PEG 6000, AMMONIUM CITRATE, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 1.30 Å R-free 0.203
1XGD Apo R268A human aldose reductase 提交 2004-09-16 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–315（315 aa）
突变：R268A 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；pH 6；277 K；PEG6000, AmmSO4, pH 6.0, VAPOR DIFFUSION, temperature 277K
分辨率 2.10 Å R-free 0.209
2ACQ AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE 提交 1994-04-15 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–315（315 aa）
未记录 G6P 6-O-phosphono-alpha-D-glucopyranose × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 1.76 Å
2ACR AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE 提交 1994-04-15 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–315（315 aa）
未记录 CAC CACODYLATE ION × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 1.76 Å
2ACS AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE 提交 1994-04-15 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–315（315 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 1.76 Å
2ACU TYROSINE-48 IS THE PROTON DONOR AND HISTIDINE-110 DIRECTS SUBSTRATE STEREOCHEMICAL SELECTIVITY IN THE REDUCTION REACTION OF HUMAN ALDOSE REDUCTASE: ENZYME KINETICS AND THE CRYSTAL STRUCTURE OF THE Y48H MUTANT ENZYME 提交 1994-04-15 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–315（315 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 1.76 Å
2AGT Aldose Reductase Mutant Leu 300 Pro complexed with Fidarestat 提交 2005-07-27 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L300P CL CHLORIDE ION × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 FID (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；297 K；PEG 6000 , pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 297.K
分辨率 1.00 Å R-free 0.129
2DUX Crystal structure of human Aldose Reductase complexed with zopolrestat after 3 days soaking (3days_soaked_1) 提交 2006-07-27 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ZST 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；25% PEG 6000, 120mM citrate buffer, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 1.60 Å R-free 0.227
2DUZ Human Aldose Reductase complexed with inhibitor zopolrestat after 3 days soaking (3days_soaked_2) 提交 2006-07-27 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ZST 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；25% PEG 6000, 120mM citrate buffer, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 1.60 Å R-free 0.221
2DV0 Human Aldose Reductase complexed with zopolrestat after 6 days soaking(6days_soaked_2) 提交 2006-07-28 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ZST 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；25% PEG 6000, 120mM citrate buffer, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 1.62 Å R-free 0.270
2F2K Aldose reductase tertiary complex with NADPH and DEG 提交 2005-11-17 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 TGG GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；SODIUM CITRATE, PHOSPHATE, PEG 4000, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
分辨率 1.94 Å R-free 0.256
2FZ8 Human Aldose reductase complexed with inhibitor zopolrestat at 1.48 A(1 day soaking). 提交 2006-02-09 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ZST 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；50mM ammonium citrate, 25% PEG6000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.48 Å R-free 0.197
2FZ9 Human Aldose Reductase complexed with inhibitor zopolrestat after six days soaking. 提交 2006-02-09 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ZST 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；50 mM ammonium citrate, 25 % PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.60 Å R-free 0.223
2HV5 Human Aldose Reductase complexed with inhibitor zopolrestat after three days soaking (3days_soaked_3) 提交 2006-07-27 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 0–315（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ZST 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG 6000 25%, 120mM citrate buffer, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 1.59 Å R-free 0.228
2HVN Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation after one day (1day_cocryst) 提交 2006-07-29 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 0–315（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ZST 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG 6000 25%, 120mM cirtrate buffer, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 1.58 Å R-free 0.208
2HVO Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation (10days_cocryst) 提交 2006-07-29 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 0–315（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ZST 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；25% PEG 6000, 120mM citrate buffer, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 1.65 Å R-free 0.217
2I16 Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 15K 提交 2006-08-13 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 0–315（316 aa）
未记录 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LDT IDD594 × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 5；pH 5.0
分辨率 0.81 Å R-free 0.089
2I17 Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 60K 提交 2006-08-13 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 0–315（316 aa）
未记录 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LDT IDD594 × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 5；pH 5.0
分辨率 0.81 Å R-free 0.091
2IKG Aldose reductase complexed with nitrophenyl-oxadiazol type inhibitor at 1.43 A 提交 2006-10-02 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 0–315（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 BTO 4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG 6000, 120mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.43 Å R-free 0.200
2IKH Human aldose reductase complexed with nitrofuryl-oxadiazol inhibitor at 1.55 A 提交 2006-10-02 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 0–315（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LIT {[5-(5-NITRO-2-FURYL)-1,3,4-OXADIAZOL-2-YL]THIO}ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG 6000, 120mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.55 Å R-free 0.210
2IKI Human aldose reductase complexed with halogenated IDD-type inhibitor 提交 2006-10-02 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 0–315（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 388 (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG 6000, 120mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.47 Å R-free 0.183
2IKJ Human aldose reductase complexed with nitro-substituted IDD-type inhibitor 提交 2006-10-02 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 0–315（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 393 (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG 6000, 120mM ammonium citrate buffer, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.55 Å R-free 0.213
2INE Crystal Structure of Aldose Reductase complexed with Phenylacetic Acid 提交 2006-10-06 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–315（315 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 PAC 2-PHENYLACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；20 % PEG 6000, 50 mM Citrate, subsequent glutaraldehyde x-link, ligand soak, pH 5.00, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 1.90 Å R-free 0.226
2INZ Crystal Structure of Aldose Reductase complexed with 2-Hydroxyphenylacetic Acid 提交 2006-10-09 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–315（315 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 OHP (2-HYDROXYPHENYL)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 5；277 K；20 % PEG 6000, 50 mM Citrate, subsequent glutaraldehyde x-link, ligand soak, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 5.00
分辨率 1.95 Å R-free 0.259
2IPW Crystal Structure of C298A W219Y Aldose Reductase complexed with Dichlorophenylacetic acid 提交 2006-10-12 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–315（315 aa）
突变：W219Y, C298A NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 2CL (2,6-DICHLOROPHENYL)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；20 % PEG 6000, 50 mM Citrate, subsequent glutaraldehyde x-link, ligand soak, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 2.00 Å R-free 0.268
2IQ0 Crystal Structure of Aldose Reductase complexed with Hexanoic Acid 提交 2006-10-12 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–315（315 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 6NA HEXANOIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；20 % PEG 6000, 50 mM Citrate, subsequent glutaraldehyde x-linking, ligand soaking, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 1.95 Å R-free 0.252
2IQD Crystal Structure of Aldose Reductase complexed with Lipoic Acid 提交 2006-10-13 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–315（315 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LPA LIPOIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；20 % PEG 6000, 50 mM Citrate, subsequent glutaraldehyde x-linking, ligand soaking, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 2.00 Å R-free 0.239
2IS7 Crystal Structure of Aldose Reductase complexed with Dichlorophenylacetic acid 提交 2006-10-16 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–315（315 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 2CL (2,6-DICHLOROPHENYL)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；20 % PEG 6000, 50 mM Citrate, subsequent glutaraldehyde x-link, ligand soak, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 1.70 Å R-free 0.200
2ISF Crystal Structure of C298A W219Y Aldose Reductase complexed with Phenylacetic Acid 提交 2006-10-17 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–315（315 aa）
突变：W219Y, C298A NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 PAC 2-PHENYLACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；20 % PEG 6000, 50 mM Citrate, subsequent glutaraldehyde x-link, ligand soak, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 2.00 Å R-free 0.263
2NVC Human Aldose Reductase complexed with novel naphtho[1,2-d]isothiazole acetic acid derivative (3) 提交 2006-11-12 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 0–315（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ITA {4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；120mM ammonium citrate, 20% PEG 6000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.65 Å R-free 0.214
2NVD Human Aldose Reductase complexed with novel naphtho[1,2-d]isothiazole acetic acid derivative (2) 提交 2006-11-12 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 0–315（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ITB 2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3-DIOXIDE × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；120mM ammonium citrate, 20% PEG 6000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.55 Å R-free 0.200
2PD5 Human aldose reductase mutant V47I complexed with zopolrestat 提交 2007-03-31 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：V47I NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ZST 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20 % PEG 6000 in 120 mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.60 Å R-free 0.214
2PD9 Human aldose reductase mutant V47I complexed with fidarestat. 提交 2007-03-31 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：V47I NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 FID (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20 % PEG 6000 in 120 mM Ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.55 Å R-free 0.204
2PDB Human aldose reductase mutant F121P complexed with zopolrestat. 提交 2007-03-31 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：F121P NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ZST 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20 % PEG 6000 in 12o mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.60 Å R-free 0.207
2PDC Human aldose reductase mutant F121P complexed with IDD393. 提交 2007-03-31 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：F121P NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 393 (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20 % PEG 6000 in 120 mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.65 Å R-free 0.228
2PDF Human aldose reductase mutant L300P complexed with zopolrestat. 提交 2007-03-31 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L300P NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ZST 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20 % PEG 6000 in 120 mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.56 Å R-free 0.228
2PDG Human aldose reductase with uracil-type inhibitor at 1.42A. 提交 2007-03-31 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 47D {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20 % PEG 6000 in 120 mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.42 Å R-free 0.200
2PDH Human aldose reductase mutant L300P complexed with uracil-type inhibitor at 1.45 A. 提交 2007-03-31 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L300P NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 47D {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20 % PEG 6000 in 120 mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.45 Å R-free 0.223
2PDI Human aldose reductase mutant L300A complexed with zopolrestat at 1.55 A. 提交 2007-04-01 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L300A NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ZST 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20 % PEG 6000 in 120 mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.55 Å R-free 0.195
2PDJ Human aldose reductase mutant L300A complexed with IDD393. 提交 2007-04-01 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L300A NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 393 (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20 % PEG 6000 in 120 mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.57 Å R-free 0.226
2PDK Human aldose reductase mutant L301M complexed with sorbinil. 提交 2007-04-01 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L301M NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 SBI SORBINIL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20 % PEG 6000 in 120 mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.55 Å R-free 0.201
2PDL Human aldose reductase mutant L301M complexed with tolrestat. 提交 2007-04-01 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L301M NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 TOL TOLRESTAT × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20 % PEG 6000 in 120 mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.47 Å R-free 0.233
2PDM Human aldose reductase mutant S302R complexed with zopolrestat. 提交 2007-04-01 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：S302R NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ZST 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20 % PEG 6000 in 120 mM ammonium citrate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.75 Å R-free 0.247
2PDN Human aldose reductase mutant S302R complexed with uracil-type inhibitor. 提交 2007-04-01 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：S302R NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 47D {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20 % PEG 6000 in 120 mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.70 Å R-free 0.242
2PDP Human aldose reductase mutant S302R complexed with IDD 393. 提交 2007-04-01 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：S302R NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 393 (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20 % PEG 6000 in 120 mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.65 Å R-free 0.241
2PDQ Human aldose reductase mutant C303D complexed with uracil-type inhibitor. 提交 2007-04-01 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：C303D NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 47D {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20 % PEG 6000 in 120 mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.73 Å R-free 0.248
2PDU Human aldose reductase mutant C303D complexed with IDD393. 提交 2007-04-01 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：C303D NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 393 (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20 % PEG 6000 in 120 mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.55 Å R-free 0.212
2PDW Human aldose reductase mutant C303D complexed with fidarestat. 提交 2007-04-01 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：C303D NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 FID (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20 % PEG 6000 in 120 mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.55 Å R-free 0.203
2PDX Human aldose reductase double mutant S302R-C303D complexed with zopolrestat. 提交 2007-04-01 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：S302R; C303D NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ZST 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20 % PEG 6000 in 120 mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.65 Å R-free 0.222
2PDY Human aldose reductase double mutant S302R-C303D complexed with fidarestat. 提交 2007-04-01 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：S302R; C303D NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 FID (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20 % PEG 6000 in 120 mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.65 Å R-free 0.224
2PEV Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution exceeds concentration of IDD594. 提交 2007-04-03 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 CL CHLORIDE ION × 1 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LDT IDD594 × 1 FID (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；297 K；micro-seeding, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 297K
分辨率 0.90 Å R-free 0.101
2PF8 Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is equal to concentration of IDD594. 提交 2007-04-04 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 CL CHLORIDE ION × 1 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LDT IDD594 × 1 FID (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；297 K；micro-seeding, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 297K
分辨率 0.85 Å R-free 0.095
2PFH Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is less than concentration of IDD594. 提交 2007-04-05 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 CL CHLORIDE ION × 1 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LDT IDD594 × 1 FID (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；297 K；micro-seeding, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 297K
分辨率 0.85 Å R-free 0.095
2PZN The crystallographic structure of Aldose Reductase IDD393 complex confirms Leu300 as a specificity determinant 提交 2007-05-18 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 393 (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；Protein was co-crystallized with NADP+ (Sigma) and inhibitor (ratios protein/coenzyme/inhibitor = 1/2/2). Previously equilibrated (ammonium citrate buffer, PEG 6000 (15%)) hanging drops were seeded with stock seed solutions diluted 100 times. Cryofreezing was carried out through quick transfers into a stabilization solution (25% PEG 6000), then into a cryo-protecting solution (40% PEG 6000) and finally into either liquid nitrogen or ethane, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 1.00 Å
2QXW Perdeuterated alr2 in complex with idd594 提交 2007-08-13 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LDT IDD594 × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 5；120 mM Ammonium Citrate pH 5.0, 20% PEG 6000
分辨率 0.80 Å R-free 0.112
2R24 Human Aldose Reductase structure 提交 2007-08-24 构建体不同 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LDT IDD594 × 1 实验方法未声明
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；297 K；pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 297K
分辨率 1.75 Å
3BCJ Crystal structure of Aldose Reductase complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S) at 0.78 A 提交 2007-11-13 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa） 片段：Human Aldose Reductase
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CIT CITRIC ACID × 1 FIS (2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；PEG 6000, AMMONIUM CITRATE, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 0.78 Å R-free 0.110
3DN5 Aldose Reductase in complex with novel biarylic inhibitor 提交 2008-07-01 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 53N 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；12% PEG 6000, 50mM Ammonium citrate pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.45 Å R-free 0.200
3G5E Human aldose reductase complexed with IDD 740 inhibitor 提交 2009-02-05 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 Q74 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；15MG/ML AR, 5% PEG 6000, 50MM AMMONIUM CITRATE PH 5.0 (DROP), 20% PEG 6000, 120MM AMMONIUM CITRATE PH 5.0 (RESERVOIR), VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 1.80 Å R-free 0.183
3GHR Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. First stage of radiation damage 提交 2009-03-04 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LDT IDD594 × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 1.00 Å R-free 0.102
3GHS Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Second stage of radiation damage. 提交 2009-03-04 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LDT IDD594 × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 5；277 K；The co-crystallization with IDD594 was carried out at room temperature (ratios protein/coenzyme/inhibitor = 1/2/2). pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 1.00 Å R-free 0.098
3GHT Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Third stage of radiation damage. 提交 2009-03-04 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LDT IDD594 × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；The co-crystallization with IDD594 was carried out at room temperature (ratios protein/coenzyme/inhibitor = 1/2/2), pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 1.10 Å R-free 0.111
3GHU Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Forth stage of radiation damage. 提交 2009-03-04 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LDT IDD594 × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；The co-crystallization with IDD594 was carried out at room temperature (ratios protein/coenzyme/inhibitor = 1/2/2), pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 1.20 Å R-free 0.137
3LBO Human aldose reductase mutant T113C complexed with IDD594 提交 2010-01-08 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：T113C NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LDT IDD594 × 1 CIT CITRIC ACID × 1 BR BROMIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG 6000, 120mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.10 Å R-free 0.144
3LD5 Human aldose reductase mutant T113S complexed with IDD594 提交 2010-01-12 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：T113S NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LDT IDD594 × 1 CIT CITRIC ACID × 1 BR BROMIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG 6000, 120mM Ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.27 Å R-free 0.161
3LEN Human Aldose Reductase mutant T113S complexed with Zopolrestat 提交 2010-01-15 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：T113S NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ZST 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG 6000, 120mM AMMONIUM CITRATE, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.21 Å R-free 0.161
3LEP Human Aldose Reductase mutant T113C in complex with IDD388 提交 2010-01-15 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：T113C NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 388 (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID × 1 BR BROMIDE ION × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG 6000, 120mM AMMONIUM CITRATE, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 0.99 Å R-free 0.130
3LQG Human aldose reductase mutant T113A complexed with IDD388 提交 2010-02-09 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：T113A NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 388 (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID × 1 BR BROMIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG, 120mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.35 Å R-free 0.161
3LQL Human Aldose Reductase mutant T113A complexed with IDD 594 提交 2010-02-09 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：T113A NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LDT IDD594 × 1 CIT CITRIC ACID × 1 BR BROMIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG 6000, 120mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.13 Å R-free 0.127
3LZ3 Human aldose reductase mutant T113S complexed with IDD388 提交 2010-03-01 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：T113S NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 388 (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID × 1 BR BROMIDE ION × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG, 120mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.03 Å R-free 0.122
3LZ5 Human aldose reductase mutant T113V complexed with IDD594 提交 2010-03-01 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：T113V NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LDT IDD594 × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG 6000, 120mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 0.95 Å R-free 0.134
3M0I Human Aldose Reductase mutant T113V in complex with Zopolrestat 提交 2010-03-03 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：T113V NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ZST 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG 6000, 120mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.07 Å R-free 0.145
3M4H Human Aldose Reductase mutant T113V complexed with IDD388 提交 2010-03-11 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：T113V NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 388 (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID × 1 CIT CITRIC ACID × 1 BR BROMIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG 6000, 120mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 0.94 Å R-free 0.122
3M64 Human aldose reductase mutant T113V complexed with IDD393 提交 2010-03-15 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：T113V NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 393 (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG 6000, 120mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.30 Å R-free 0.174
3MB9 Human Aldose Reductase mutant T113A complexed with Zopolrestat 提交 2010-03-25 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：T113A NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ZST 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG 6000, 120mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.65 Å R-free 0.214
3MC5 Human Aldose Reductase mutant T113V in complex with IDD393 crystallized in spacegroup P1 提交 2010-03-27 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：T113V NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 393 (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG 6000, 120mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.14 Å R-free 0.158
3ONB Bond breakage and relocation of a covalently bound bromine of IDD594 in a complex with hAR T113A mutant after extensive radiation dose 提交 2010-08-28 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 2–316（315 aa）
突变：T113A NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LDT IDD594 × 1 BR BROMIDE ION × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG 6000, 120mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.45 Å R-free 0.175
3ONC Bond breakage and relocation of a covalently bound bromine of IDD594 in a complex with hAR T113A mutant after moderate radiation dose 提交 2010-08-28 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 2–316（315 aa）
突变：T113A NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LDT IDD594 × 1 BR BROMIDE ION × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG 6000, 120mM citrate buffer, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.06 Å R-free 0.118
3P2V Novel Benzothiazepine Inhibitor in Complex with human Aldose Reductase 提交 2010-10-04 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 DOY [(2S)-4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetic acid × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG 6000, 120mM citrate buffer, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.69 Å R-free 0.222
3Q65 Human Aldose Reductase in Complex with NADP+ in Space Group P212121 提交 2010-12-30 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 SO4 SULFATE ION × 5 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；2.04 M Ammonium Sulfate, 0.1M HEPES pH 7.5, 7% polyethylene glycol 400, VAPOR DIFFUSION, SITTING DROP, temperature 277K
分辨率 2.09 Å R-free 0.260
3Q65 Human Aldose Reductase in Complex with NADP+ in Space Group P212121 提交 2010-12-30 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；2.04 M Ammonium Sulfate, 0.1M HEPES pH 7.5, 7% polyethylene glycol 400, VAPOR DIFFUSION, SITTING DROP, temperature 277K
分辨率 2.09 Å R-free 0.260
3Q67 Human Aldose Reductase C298S mutant in Complex with NADP+ in Space Group P212121 提交 2010-12-30 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：C298S NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；2.04 M Ammonium Sulfate, 0.1M HEPES pH 7.5, 7% polyethylene glycol 400, vapor diffusion, sitting drop, temperature 277K
分辨率 1.55 Å R-free 0.189
3Q67 Human Aldose Reductase C298S mutant in Complex with NADP+ in Space Group P212121 提交 2010-12-30 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1–316（316 aa）
突变：C298S NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；2.04 M Ammonium Sulfate, 0.1M HEPES pH 7.5, 7% polyethylene glycol 400, vapor diffusion, sitting drop, temperature 277K
分辨率 1.55 Å R-free 0.189
3RX2 Crystal Structure of Human Aldose Reductase Complexed with Sulindac Sulfone 提交 2011-05-10 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 SLO 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；50mM ammonium citrate, pH5.0, 7.5% PEG 6000 , VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 1.90 Å R-free 0.194
3RX3 Crystal Structure of Human Aldose Reductase Complexed with Sulindac 提交 2011-05-10 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 SUZ [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；50 mM ammonium citrate, pH5.0, 7.5% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 1.90 Å R-free 0.201
3RX4 Crystal Structure of Human Aldose Reductase complexed with Sulindac Sulfide 提交 2011-05-10 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 SFI 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；50mM ammonium citrate, pH5.0, 7.5% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 2.00 Å R-free 0.205
3S3G Crystal Structure of Human Aldose Reductase Complexed with Tolmetin 提交 2011-05-18 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 TLT Tolmetin × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；7.5% PEG 6000, 0.05M ammonium citrate, pH5.0 , VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 1.80 Å R-free 0.204
3T42 Human aldose reductase in complex with a nitrile-containing IDD inhibitor 提交 2011-07-25 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 3T4 {5-chloro-2-[(4-cyano-3-nitrobenzyl)carbamoyl]phenoxy}acetic acid × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 4.2；298 K；The hanging drop method was used to obtain crystals (EasyXtal Tool 24 culture plates, Qiagen). WT hALR2 was co-crystallized with the oxidized form of coenzyme NADP+ (Sigma) and inhibitor 2 at room temperature (ratios of protein / inhibitor / coenzyme = 1/2/2). Hanging drops were made by the mixing mother liquor (0.06 M citric acid, 0.04 M Bis-tris propane, 12% (w/v) PEG 3350, pH 4.2) with holoenzyme solution (10 mg/mL, 20 mM hepes, pH 7.0). Crystals were observed after three days of equilibration, EVAPORATION, temperature 298K
分辨率 1.28 Å R-free 0.178
3U2C Aldose reductase in complex with NSAID-type inhibitor at 1.0 A resolution 提交 2011-10-03 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 PEG DI(HYDROXYETHYL)ETHER × 2 PG5 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE × 2 CIT CITRIC ACID × 1 SUZ [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；pH 5；278 K；ammonium citrate, PEG4000, pH 5, VAPOR DIFFUSION, temperature 278K
分辨率 1.00 Å R-free 0.138
3V35 Aldose reductase complexed with a nitro compound 提交 2011-12-13 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 NTI 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate × 1 DMF DIMETHYLFORMAMIDE × 23 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；120mM ammonium citrate pH 5.0, 20% (m/V) PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 1.90 Å R-free 0.183
3V36 Aldose reductase complexed with glceraldehyde 提交 2011-12-13 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 3GR D-Glyceraldehyde × 1 0PY pyridine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；120mM ammonium citrate pH 5.0, 20% (m/V) PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 2.00 Å R-free 0.211
4GCA Complex of Aldose Reductase with inhibitor IDD 1219 提交 2012-07-30 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 2–316（315 aa） 片段：Aldose Reductase
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 2X9 {2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl}acetic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；20% PEG 6000 IN 120 MM AMMONIUM CITRATE, PH 5.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE , temperature 277K
分辨率 0.90 Å R-free 0.145
4IGS Crystal structure of human Aldose Reductase complexed with NADP+ and JF0064 提交 2012-12-18 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 64I 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；20% PEG 6000, 100 mM MES, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 0.85 Å R-free 0.143
4JIR Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Epalrestat 提交 2013-03-06 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 EPR {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid × 1 SO4 SULFATE ION × 2 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；50 mM ammonium citrate, pH5.0, 7.5% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 2.00 Å R-free 0.210
4LAU Crystal structure of human AR complexed with NADP+ and {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid 提交 2013-06-20 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 W8X {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；50 mM ammonium citrate, 20% PEG 6000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 0.84 Å R-free 0.142
4LAZ Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid 提交 2013-06-20 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 1WW {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；50 mM ammonium citrate, 20% PEG 6000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 0.85 Å R-free 0.139
4LB3 Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid 提交 2013-06-20 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 M15 {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；50 mM ammonium citrate, 20% PEG 6000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 0.80 Å R-free 0.131
4LB4 Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid 提交 2013-06-20 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 1WX {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；50 mM ammonium citrate, 20% PEG 6000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 0.80 Å R-free 0.131
4LBR Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid 提交 2013-06-21 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 4O9 {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；50 mM ammonium citrate, 20% PEG 6000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 0.80 Å R-free 0.134
4LBS Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid 提交 2013-06-21 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 4O8 {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；50 mM ammonium citrate, 20% PEG 6000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 0.76 Å R-free 0.134
4NKC Human Aldose Reductase complexed with Schl7764 at 1.12 A 提交 2013-11-12 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 2–316（315 aa）
未记录 2HZ (2Z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；di-Ammoniumhydrogen citrate, PEG6000= 5 % (m/V), DTT= 5,15 g/L, NADP+= 0,66 g/L Human Aldose Reductase= 15 mg/ml. Afterwards soaked into MES buffer, MES 50 mM 25% (m/V) PEG6000, saturated with the inhibitor, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
分辨率 1.12 Å R-free 0.142
4PR4 Human Aldose Reductase complexed with Schl7802 at 1.06 A 提交 2014-03-05 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 2–316（315 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 2W8 3-(3'-nitrobiphenyl-3-yl)propanoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；di-Ammoniumhydrogen citrate, 5 % m/V PEG6000, DTT= 5.15 g/L, NADP+= 0.66 g/L protein 15 mg/ml. Afterwards soaked into MES buffer, MES 50 mM, 25% m/V PEG6000, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
分辨率 1.06 Å R-free 0.152
4PRR Human Aldose Reductase complexed with Schl7815 ((3-[3-(5-NITROFURAN-2-YL)PHENYL]PROPANOIC ACID)at 1.01 A 提交 2014-03-06 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 2–316（315 aa） 片段：Human Aldose Reductase
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 2W9 3-[3-(5-nitrofuran-2-yl)phenyl]propanoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；di-Ammoniumhydrogen citrate pH 5.0, PEG6000= 5 % (m/V), DTT= 5.15 g/L, ADP= 0,66 g/L, protein 15 mg/ml. Soaking conditions: Tris buffer, Tris 100 mM 25 %(m/V) PEG6000 pH 8.0 saturated with the inhibitor, VAPOR DIFFUSION, HANGING DROP
分辨率 1.01 Å R-free 0.155
4PRT Human Aldose Reductase complexed with Schl12221 ({2-[5-(3-NITROPHENYL)FURAN-2-YL]PHENYL}ACETIC ACID) at 0.96 A 提交 2014-03-06 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa） 片段：Human Aldose Reductase
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 2WB {2-[5-(3-nitrophenyl)furan-2-yl]phenyl}acetic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；50 mM di-Ammoniumhydrogen citrate pH 5.0, PEG6000= 5 % (m/V), DTT= 5,15 g/L, NADP+= 0,66 g/L, Human Aldose Reductase= 15 mg/ml. Afterwards the crystals have been soaked into Tris buffer, Tris 100 mM 25% (m/V) PEG6000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
分辨率 0.96 Å R-free 0.137
4PUU Human Aldose Reductase complexed with a ligand with an IDD structure (2-(2-carbamoyl-5-fluoro-phenoxy)acetic acid) at 1.14 A 提交 2014-03-14 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 2WR (2-carbamoyl-5-fluorophenoxy)acetic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；50 mM di-Ammoniumhydrogen citrate pH 5.0, PEG6000= 5 % (m/V), DTT= 5,15 g/L, NADP+= 0,66 g/L Human Aldose Reductase= 15 mg/ml. Afterwards the crystals have been transferred into Tris 100 mM 25% (m/V) PEG6000 pH 8.0 saturated with the inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 291K
分辨率 1.14 Å R-free 0.156
4PUW Human Aldose Reductase complexed with a ligand with an IDD structure (2-[5-fluoro-2-(prop-2-ynylcarbamoyl)phenoxy]acetic acid) at 1.12 A 提交 2014-03-14 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 2WQ [5-fluoro-2-(prop-2-yn-1-ylcarbamoyl)phenoxy]acetic acid × 1 CIT CITRIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；Crystallization solution: 50 mM di-Ammoniumhydrogen citrate pH 5.0 PEG6000= 5 % (m/V) DTT= 5.15 g/L NADP+= 0.66 g/L and Human Aldose Reductase= 15 mg/ml. 9 microliter of the crystallization solution were mixed with 3 microliter of a 5 mM solution of the inhibitor in 120 mM di-Ammoniumhydrogen citrate pH 5.0 with 25 % (m/V) PEG 6000 and 5 % DMSO, VAPOR DIFFUSION, HANGING DROP, temperature 291K
分辨率 1.12 Å R-free 0.157
4Q7B Human Aldose Reductase complexed with a ligand with an IDD structure ([2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid) at 1.19 A 提交 2014-04-24 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 2–316（315 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 2YZ [2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；Crystallization solution: 50 mM di-Ammoniumhydrogen citrate pH 5.0 PEG6000= 5 % (m/V) DTT= 5,15 g/L NADP+= 0,66 g/L and Human Aldose Reductase= 15 mg/ml. Afterwards the crystals were soaked into Tris 100 mM 25% (m/V) PEG6000 saturated with the inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 291K
分辨率 1.19 Å R-free 0.160
4QBX Human Aldose Reductase complexed with a ligand with an IDD structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) at 0.98 A 提交 2014-05-09 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 30L {5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；Crystallization solution: 50 mM di-Ammoniumhydrogen citrate, PEG6000= 5 % (m/V) DTT= 5.15 g/L NADP+= 0.66 g/L and Human Aldose Reductase= 15 mg/ml. Afterwards the crystals were soaked into 120 mM di-Ammoniumhydrogen citrate pH 5.0 25% (m/V) PEG6000 saturated with the inhibitor. The well solution was 120mM di-Ammonium hydrogen citrate with 20% PEG6000 pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
分辨率 0.98 Å R-free 0.151
4QR6 Human Aldose Reductase complexed with a ligand with an IDD structure (2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-5-fluoro-phenoxy]acetic acid) at 1.05 A 提交 2014-06-30 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 37V {2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；Crystallization solution: 50 mM di-Ammoniumhydrogen citrate pH 5.0 PEG6000= 5 % (m/V) DTT= 5.15 g/L NADP+= 0.66 g/L and Human Aldose Reductase= 15 mg/ml.Afterwards the crystals were soaked into Tris 100 mM 25% (m/V) PEG6000 pH 8.0 saturated with the inhibitor.The well solution was for crystallization was 120mM di-Ammonium hydrogen citrate with 20% PEG6000 pH 5.0., VAPOR DIFFUSION, HANGING DROP, temperature 291K
分辨率 1.05 Å R-free 0.157
4QX4 Human Aldose Reductase complexed with a ligand with a new scaffold at 1.26 A 提交 2014-07-18 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa） 片段：Human Aldose Reductase
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 3E2 (3-thioxo-2,3-dihydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；50 mM di-Ammoniumhydrogen citrate pH 5.0 PEG6000= 5 % (m/V) DTT= 5.15 g/L NADP+= 0.66 g/L and Human Aldose Reductase= 15 mg/ml. Afterwards the crystals were soaked into Tris 100 mM 25% (m/V) PEG6000 pH 8.0 saturated with the inhibitor. The well solution for crystallization was 120mM di-Ammonium hydrogen citrate with 20% PEG6000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
分辨率 1.26 Å R-free 0.153
4QXI Crystal structure of human AR complexed with NADP+ and AK198 提交 2014-07-21 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 I98 {2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；50 mM ammonium citrate, 20% PEG 6000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 0.87 Å R-free 0.145
4RPQ Human Aldose Reductase complexed with a ligand with an IDD structure at 1.20 A (1) 提交 2014-10-31 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 2–316（315 aa） 片段：Human Aldose Reductase
未记录 3UH ({3-[(3-nitrobenzyl)carbamoyl]biphenyl-4-yl}oxy)acetic acid × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；Crystallization solution: 50 mM di-Ammoniumhydrogen citrate pH 5.0 PEG6000= 5 % (m/V) DTT= 5.15 g/L NADP+=0.66 g/L and Human Aldose Reductase= 15 mg/ml. Afterwards the crystals were soaked into Tris 100 mM 25% (m/V) PEG6000 saturated with the inhibitor., VAPOR DIFFUSION, HANGING DROP, temperature 291K
分辨率 1.20 Å R-free 0.165
4XZH Crystal structure of human Aldose Reductase complexed with NADP+ and JF0048 提交 2015-02-04 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 48I [3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；PEG 6000, ammonium citrate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 1.00 Å R-free 0.161
4XZH Crystal structure of human Aldose Reductase complexed with NADP+ and JF0048 提交 2015-02-04 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 48I [3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；PEG 6000, ammonium citrate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 1.00 Å R-free 0.161
4XZI Crystal structure of human Aldose Reductase complexed with NADP+ and JF0049 提交 2015-02-04 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 F49 [2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2H)-yl]acetic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；10 mM Tris-HCl, pH 8.0, 20% polyethylene glycol, PEG 6000
分辨率 2.45 Å R-free 0.289
4YS1 Human Aldose Reductase complexed with a ligand with an IDD structure (2) at 1.07 A. 提交 2015-03-16 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 4G7 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；50 mM di-Ammoniumhydrogen citrate pH 5.0 PEG6000= 5 % (m/V) DTT= 5.15 g/L NADP+= 0.66 g/L and Human Aldose Reductase= 15 mg/ml. Afterwards the crystals were soaked into Tris 100 mM 25% (m/V) PEG6000 pH 8.0 saturated with the inhibitor.
分辨率 1.07 Å R-free 0.148
4YU1 Human Aldose Reductase complexed with Schl12134 (3-[5-(3-nitrophenyl)-2-thienyl]propanoic acid) at 1.02 A 提交 2015-03-18 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 53N 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；Crystallization solution: 50 mM di-Ammoniumhydrogen citrate pH 5.0 PEG6000= 5 % (m/V) DTT= 5.15 g/L NADP+= 0.66 g/L and Human Aldose Reductase= 15 mg/ml.Afterwards the crystals were soaked into Tris 100 mM 25% (m/V) PEG6000 pH 8.0 saturated with the inhibitor.
分辨率 1.02 Å R-free 0.150
5HA7 Human Aldose Reductase in Complex with NADP+ and WY14643 in Space Group P212121 提交 2015-12-30 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L5I NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 WY1 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.04 M Ammonium Sulfate, 0.1M HEPES pH 7.5, 7% polyethylene glycol 400
分辨率 1.65 Å R-free 0.195
5HA7 Human Aldose Reductase in Complex with NADP+ and WY14643 in Space Group P212121 提交 2015-12-30 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1–316（316 aa）
突变：L5I NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 WY1 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.04 M Ammonium Sulfate, 0.1M HEPES pH 7.5, 7% polyethylene glycol 400
分辨率 1.65 Å R-free 0.195
5OU0 Crystal structure of human AKR1B1 complexed with NADP+ and compound 37 提交 2017-08-23 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 AV5 2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；297 K；20% PEG 6000, 50 mM MES, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K
分辨率 0.94 Å R-free 0.143
5OUJ Crystal structure of human AKR1B1 complexed with NADP+ and compound 39 提交 2017-08-24 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 AW8 2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；297 K；20% PEG 6000, 50 mM MES, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K
分辨率 0.96 Å R-free 0.146
5OUK Crystal structure of human AKR1B1 complexed with NADP+ and compound 41 提交 2017-08-24 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 AVT 2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；297 K；20% PEG 6000, 50 mM MES, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K
分辨率 0.96 Å R-free 0.149
6F7R AKR1B1 at 0.03 MGy radiation dose. 提交 2017-12-11 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG 6000, AmCitrate
分辨率 0.92 Å R-free 0.132
6F81 AKR1B1 at 0.75 MGy radiation dose. 提交 2017-12-12 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG 6000, AmCitrate
分辨率 0.97 Å R-free 0.135
6F82 AKR1B1 at 1.65 MGy radiation dose. 提交 2017-12-12 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG 6000, AmCitrate
分辨率 1.03 Å R-free 0.139
6F84 AKR1B1 at 2.55 MGy radiation dose. 提交 2017-12-12 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG 6000, AmCitrate
分辨率 1.09 Å R-free 0.152
6F8O AKR1B1 at 3.45 MGy radiation dose. 提交 2017-12-13 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG 6000, AmCitrate
分辨率 1.17 Å R-free 0.163
6SYW human Aldose Reductase in complex with SAR25 提交 2019-10-01 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CIT CITRIC ACID × 1 M0K 2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；PEG 6000, DTT, diammonium hydrogen citrate, NADP+
分辨率 0.93 Å R-free 0.123
6T27 Structure of Human Aldose Reductase Mutant L301A with a Citrate Molecule Bound in the Anion Binding Pocket 提交 2019-10-08 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L301A CIT CITRIC ACID × 2 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 5% (w/v) PEG 6000 Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5, 20% (w/v) PEG 6000
分辨率 1.11 Å R-free 0.121
6T3P Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) 提交 2019-10-11 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L300A NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 30L {5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid × 2 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5.0: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 5% (w/v) PEG 6000 Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5.0, 20% (w/v) PEG 6000 Soaking-buffer: 120 mM Di-Ammoniumhydrogen citrate pH 5.0, 25% PEG 6000
分辨率 0.97 Å R-free 0.115
6T5G Structure of Human Aldose Reductase Mutant L300A with a Citrate Molecule Bound in the Anion Binding Pocket 提交 2019-10-16 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L300A CIT CITRIC ACID × 2 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5.0: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 5% /w/v) PEG 6000 Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5.0, 20% (w/v) PEG 6006
分辨率 1.28 Å R-free 0.160
6T7Q Human Aldose Reductase Mutant L301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) 提交 2019-10-23 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L301A 4G7 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid × 1 CIT CITRIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5.0: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 5% (w/v) PEG 6000 Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5.0, 20% (w/v) PEG 6000 Soaking-buffer: 120 mM Di-Ammoniumhydrogen citrate pH 5.0, 25% (w/v) PEG 6000
分辨率 1.01 Å R-free 0.132
6TD8 Human Aldose Reductase Mutant L301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) 提交 2019-11-08 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L301A 30L {5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid × 1 CIT CITRIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5.0: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 5% (w/v) PEG 6000 Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5.0, 20% (w/v) PEG 6000 Soaking-buffer: 120 mM Di-Ammoniumhydrogen citrate pH 5.0, 25% (w/v) PEG 6000
分辨率 0.97 Å R-free 0.121
6TUC Human Aldose Reductase in complex with ALR25 提交 2020-01-06 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 CIT CITRIC ACID × 1 NXK 2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；PEG 6000, DTT, diammonium hydrogen citrate, NADP+
分辨率 1.06 Å R-free 0.143
6TUF Human Aldose Reductase in complex with ALR43 提交 2020-01-07 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 CIT CITRIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 NXQ 2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；PEG 6000, DTT, diammonium hydrogen citrate, NADP+
分辨率 1.15 Å R-free 0.152
6TXP Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) 提交 2020-01-14 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L300A CIT CITRIC ACID × 1 4G7 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid × 1 2WR (2-carbamoyl-5-fluorophenoxy)acetic acid × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5.0: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 5% (w/v) PEG 6000 Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5.0, 20% (w/v) PEG 6000 Soaking-buffer: 120 mM Di-Ammoniumhydrogen citrate pH 5.0, 25% (w/v) PEG 6000
分辨率 0.95 Å R-free 0.127
6XUM Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) 提交 2020-01-20 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L300/301A 30L {5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid × 1 CIT CITRIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5.0: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 5% (w/v) PEG 6000 Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5.0, 20% (w/v) PEG 6000 Soaking-buffer: 120 mM Di-Ammoniumhydrogen citrate pH 5.0, 25% (w/v) PEG 6000
分辨率 0.97 Å R-free 0.128
6Y03 Structure of Human Aldose Reductase Mutant L300/301A with a Citrate Molecule Bound in the Anion Binding Pocket 提交 2020-02-06 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L300/301A CIT CITRIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5: 15 mg/mL hAR, 5,2 mg/mL DTT, 0.7 mg/mL NADP+, 5% (w/v) PEG 6000 Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5, 20% (w/v) PEG 6000
分辨率 1.69 Å R-free 0.195
6Y1P Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) 提交 2020-02-13 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L300/301A 4G7 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid × 2 CIT CITRIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 5% (w/v) PEG 6000 Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5, 20% (w/v) PEG 6000 Soaking: 120 mM Di-Ammoniumhydrogen citrate pH 5, 25% (w/v) PEG 6000
分辨率 0.94 Å R-free 0.123
8A4N Structure of Human Aldose Reductase Mutant L300G with a Citrate Molecule Bound in the Anion Binding Pocket 提交 2022-06-13 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L300G NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5 15 mg/mL hAR; 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 5% (w/v) PEG6000 Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5, 20% (w/v) PEG 6000
分辨率 0.93 Å R-free 0.115
8AE9 Human Aldose Reductase in Complex with a Hydroxyphenyl-Thiophen-Acid Inhibitor (Schl32357) 提交 2022-07-12 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 LZO 5-(5-(3-hydroxyphenyl)thiophen-2-yl)pentanoic acid × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 5% (w/v) PEG 6000 Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5, 20% (w/v) PEG 6000
分辨率 0.95 Å R-free 0.124
8AQG Structure of Human Aldose Reductase Mutant A299G/L300G with a Citrate Molecule Bound in the Anion Binding Pocket 提交 2022-08-12 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–313（313 aa）
突变：A299G, L300G NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 5% (w/v) PEG 6000 Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5, 20% (w/v) PEG 6000
分辨率 0.95 Å R-free 0.116
8AQP Structure of Human Aldose Reductase Mutant A299G/L300A with a Citrate Molecule Bound in the Anion Binding Pocket 提交 2022-08-13 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：A299G, L300A NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CIT CITRIC ACID × 2 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 7.5% (w/v) PEG 6000 Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5, 20% (w/v) PEG 6000
分辨率 0.96 Å R-free 0.121
8AUU Human Aldose Reductase Mutant A299G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) 提交 2022-08-25 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：A299G NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 30L {5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 5% (w/v) PEG 6000 Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5, 20% (w/v) PEG 6000 Soaking-buffer: 120 mM Di-Ammoniumhydrogen citrate pH 5, 25% (w/v) PEG 6000
分辨率 0.95 Å R-free 0.110
8B34 Structure of Human Aldose Reductase Mutant A299G with a Citrate Molecule Bound in the Anion Binding Pocket 提交 2022-09-15 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：A299G NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 5% (w/v) PEG 6000; Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5, 20% (w/v) PEG 6000
分辨率 0.97 Å R-free 0.114
8B3N Human Aldose Reductase Mutant A299G/L300G in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) 提交 2022-09-16 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：A299G, L300G NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 4G7 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 10% (w/v) PEG 6000 Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5, 20% (w/v) PEG 6000 Soaking: 120 mM di-ammonium hydrogen citrate pH 5.0, 25% PEG 6000, saturated with ligand
分辨率 1.03 Å R-free 0.154
8B3R Human Aldose Reductase Mutant A299G/L300G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) 提交 2022-09-16 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：A299G, L300G NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 30L {5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 10% (w/v) PEG 6000; Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5, 20% (w/v) PEG 6000; Soaking: 120 mM di-ammonium hydrogen citrate pH 5.0, 25% PEG 6000, saturated with ligand
分辨率 0.96 Å R-free 0.118
8B66 Human Aldose Reductase Mutant A299G in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) 提交 2022-09-26 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：A299G NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CIT CITRIC ACID × 1 4G7 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 5% (w/v) PEG 6000; Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5, 20% (w/v) PEG 6000; Soaking-conditions: 120 mM di-ammonium hydrogen citrate pH 5.0, 25% PEG 6000, saturated with inhibitor
分辨率 0.95 Å R-free 0.115
8BJL Human Aldose Reductase in Complex with a Ligand with a Fluoro-Indol-Acetic-Acid Structure (Schl44172) 提交 2022-11-04 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 QXO 2-(6-fluoranylindol-1-yl)ethanoic acid × 2 DMS DIMETHYL SULFOXIDE × 1 CIT CITRIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 5% (w/v) PEG 6000 Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5, 20% (w/v) PEG 6000 Soaking: 120 mM Di-Ammoniumhydrogen citrate pH 5, 25% PEG 6000, 50 mM Ligand
分辨率 0.97 Å R-free 0.126
8CNF Human Aldose Reductase Mutant L300G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) 提交 2023-02-22 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L300G NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 30L {5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 5% (w/v) PEG 6000; Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5, 20% (w/v) PEG 6000; Soaking: 120 mM di-ammonium hydrogen citrate pH 5.0, 25% PEG 6000, saturated ligand
分辨率 0.95 Å R-free 0.124
8CNP Human Aldose Reductase Mutant L300G in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) 提交 2023-02-24 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：L300G NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 4G7 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 5% (w/v) PEG 6000; Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5, 20% (w/v) PEG 6000; Soaking: 120 mM di-ammonium hydrogen citrate pH 5.0, 25% PEG 6000, saturated with ligand
分辨率 0.94 Å R-free 0.128
8FH6 Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Two AT-001 提交 2022-12-13 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
非标准单体：是（mmCIF未提供具体位点） NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 XXQ (8-oxo-7-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl)acetic acid × 2 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；25%PEG 3,350, 100 mM Bis-Tris
分辨率 1.95 Å R-free 0.206
8FH7 Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And AT-003 提交 2022-12-13 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
非标准单体：是（mmCIF未提供具体位点） NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 XY0 {7-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-8-oxo-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl}acetic acid × 1 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；25%PEG 3,350, 100 mM Bis-Tris
分辨率 1.45 Å R-free 0.169
8FH8 Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And AT-003 Soaked In Hydrogen Peroxide 提交 2022-12-13 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 XY0 {7-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-8-oxo-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl}acetic acid × 1 EDO 1,2-ETHANEDIOL × 4 PEO HYDROGEN PEROXIDE × 13 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；25% PEG 3,350, 100 mM Bis-Tris
分辨率 1.60 Å R-free 0.195
8FH9 Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And AT-007 提交 2022-12-13 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 XYK (4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrothieno[3,4-d]pyridazin-1-yl)acetic acid × 1 EDO 1,2-ETHANEDIOL × 5 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；25% PEG 3,350, 100 mM Bis-Tris
分辨率 1.70 Å R-free 0.182
8OZ2 Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) 提交 2023-05-08 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：A299G, L300A NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 30L {5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 11.5% (w/v) PEG 6000; Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5, 20% (w/v) PEG 6000; Soaking: 120 mM di-ammonium hydrogen citrate pH 5.0, 25% PEG 6000, saturated ligand
分辨率 1.04 Å R-free 0.124
8P2R Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) 提交 2023-05-16 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
突变：A299G/L300A NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CIT CITRIC ACID × 1 4G7 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 12% (w/v) PEG 6000; Reservoir: 120 mM Di-Ammoniumhydrogen citrate pH 5, 20% (w/v) PEG 6000; Soaking: 120 mM di-ammonium hydrogen citrate pH 5.0, 25% PEG 6000, saturated ligand
分辨率 1.25 Å R-free 0.136
9FB3 Human Aldose Reductase in Complex with a Covalent Ligand 提交 2024-05-11 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–316（316 aa）
未记录 A1IB0 ethyl 3-ethanoylbicyclo[1.1.1]pentane-1-carboxylate × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 PG6 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE × 1 DMS DIMETHYL SULFOXIDE × 5 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；50 mM Di-Ammoniumhydrogen citrate pH 5: 15 mg/mL hAR, 5.2 mg/mL DTT, 0.7 mg/mL NADP+, 5% (w/v) PEG 6000 Soaking: SmartSoak(R) from CrystalsFirst
分辨率 1.33 Å R-free 0.159

共 169 个其他 PDB 条目、173 个 assembly。 打开独立比较页并筛选聚集状态

查看构建体与数据证据
UniProt名称 ALDR_HUMAN
Isoform —
PDB实体 1
链与序列区间 作者链 A； PDB构建体 1–315； UniProt 2–316

页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。 链映射与序列区间收在“数据证据”中；数据库内部编号、导入时间和 assembly 操作表达式仅用于维护，因此不在读者页面展示。

SAXS 散射曲线 SAXS Profile

SAXS profile for 8fh5

P(r) 距离分布 P(r) Distribution

P(r) distribution for 8fh5
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2. 结构基本信息 2. Structure Basics

条目编号 entry_id8fh5
沉积日期 deposition_date2022-12-13
最后修订 last_revision2023-12-20
结构标题 titleCrystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And AT-001
关键词 keywordsCOMPLEX, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX, OXIDOREDUCTASE; OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
实验方法 methodX-RAY DIFFRACTION
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3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier19.84 Å
回转半径 Rg (电子) rg_electron18.68 Å
零角强度 I(0) i022828200.00
分子量 molecular_weight36885.0 kDa
排除体积 excluded_volume46293 ų
包络体积 envelope_volume50594 ų
水化壳体积 shell_volume21903 ų
包络直径 envelope_diameter63.2 Å
壳层 Rg shell_rg25.70 Å
包络 Rg envelope_rg19.01 Å
形状 Rg shape_rg18.68 Å
总 Rg total_rg19.62 Å
总原子数 total_atoms5170
残基数 n_residues315
球谐函数阶数 n_harmonics20
q 范围 q_range— – 0.5000 Å−1
数据点数 n_points101
壳层类型 shell_typedirectional
溶剂电子密度 solvent_density0.3340 e/ų
壳层衬度 contrast_shell0.0300 e/ų
CRYSOL 版本 crysol_version4.1.3
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4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax62.0 Å
Rg (实空间) rg_real19.68 Å
Rg 误差 (实空间) rg_real_error0.30 Å
I(0) (实空间) i0_real2.2830e+07
I(0) 误差 (实空间) i0_real_error3.1530e+05
Rg (倒空间) rg_reciprocal19.71 Å
I(0) (倒空间) i0_reciprocal22830000.0000
解质量估计 total_estimate0.8971
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks2
主峰位置 r_peak_primary25.3 Å
偏度 Skewness skewness0.135
峰度 Kurtosis kurtosis-0.471
角度范围 angular_range— – 0.4000 Å−1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha7376000.0000
实空间数据点数 n_real_points72
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.892; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.991
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5. 晶体学与实验 5. Crystallography & Experiment

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6. 实体与聚合物信息 Entities & Polymers (4)

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8. 引用文献 (1)

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9. 文件与曲线 (10)