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4KYK
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BU of 4kyk by Molmil
Crystal structure of mouse glyoxalase I complexed with indomethacin
Descriptor: INDOMETHACIN, Lactoylglutathione lyase, ZINC ION
Authors:Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y.
Deposit date:2013-05-29
Release date:2013-08-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Zopolrestat as a human glyoxalase I inhibitor and its structural basis.
Chemmedchem, 8, 2013
4KYH
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BU of 4kyh by Molmil
Crystal structure of mouse glyoxalase I complexed with zopolrestat
Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Lactoylglutathione lyase, ZINC ION
Authors:Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y.
Deposit date:2013-05-29
Release date:2013-08-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Zopolrestat as a human glyoxalase I inhibitor and its structural basis.
Chemmedchem, 8, 2013
4OPN
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BU of 4opn by Molmil
Crystal structure of mouse glyoxalase I complexed with mAH
Descriptor: L-gamma-glutamyl-N-(3-ethynylphenyl)-N-hydroxy-L-glutaminylglycine, Lactoylglutathione lyase, ZINC ION
Authors:Zhai, J, Zhang, L, Yuan, M, Zhang, H.
Deposit date:2014-02-06
Release date:2015-02-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Reversible Inhibition of Glyoxalase I: Synthesis and Activity Evaluation
To be Published
4X2A
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BU of 4x2a by Molmil
Crystal structure of mouse glyoxalase I complexed with baicalein
Descriptor: 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, Lactoylglutathione lyase, ZINC ION
Authors:Zhang, H, Zhai, J, Zhang, L, Li, C, Zhao, Y, Hu, X.
Deposit date:2014-11-26
Release date:2015-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:In Vitro Inhibition of Glyoxalase І by Flavonoids: New Insights from Crystallographic Analysis.
Curr Top Med Chem, 16, 2016
4RVP
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BU of 4rvp by Molmil
Crystal structure of superoxide dismutase from sedum alfredii
Descriptor: ZINC ION, superoxide dismutase
Authors:Qiu, R, Li, C, Zhai, J, Tang, L, Zhang, H, Yuan, M, Hu, X.
Deposit date:2014-11-27
Release date:2015-12-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The positive effects of Cd and Cd-Zn relationship in the Zn-related physiological processes involved in growth in the Zn/Cd hyperaccumulator Sedum alfredii
To be Published
4GQG
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BU of 4gqg by Molmil
Crystal structure of AKR1B10 complexed with NADP+
Descriptor: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, L, Zheng, X, Chen, S, Zhai, J, Hu, X.
Deposit date:2012-08-23
Release date:2013-08-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Febs Lett., 587, 2013
4PV5
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BU of 4pv5 by Molmil
Crystal structure of mouse glyoxalase I in complexed with 18-beta-glycyrrhetinic acid
Descriptor: (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, Lactoylglutathione lyase, ZINC ION
Authors:Zhang, H, Zhai, J, Zhang, L.P, Zhao, Y.N, Li, C, Hu, X.P.
Deposit date:2014-03-15
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for 18-beta-glycyrrhetinic acid as a novel non-GSH analog glyoxalase I inhibitor
Acta Pharmacol.Sin., 36, 2015
4I5X
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BU of 4i5x by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Flufenamic acid
Descriptor: 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, L, Zheng, X, Chen, S, Zhai, J, Zhang, H, Zhao, Y.
Deposit date:2012-11-29
Release date:2013-10-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Febs Lett., 587, 2013
4JII
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BU of 4jii by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Zopolrestat
Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC)
Deposit date:2013-03-06
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
4JIH
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BU of 4jih by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Epalrestat
Descriptor: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
Authors:Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC)
Deposit date:2013-03-06
Release date:2013-10-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
4JIR
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BU of 4jir by Molmil
Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Epalrestat
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X.
Deposit date:2013-03-06
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
3RX4
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BU of 3rx4 by Molmil
Crystal Structure of Human Aldose Reductase complexed with Sulindac Sulfide
Descriptor: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X, Chen, J, Luo, H, Hu, X.
Deposit date:2011-05-10
Release date:2011-11-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
3RX2
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BU of 3rx2 by Molmil
Crystal Structure of Human Aldose Reductase Complexed with Sulindac Sulfone
Descriptor: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X, Chen, J, Luo, H, Hu, X.
Deposit date:2011-05-10
Release date:2011-11-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase
Febs Lett., 586, 2012
3RX3
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BU of 3rx3 by Molmil
Crystal Structure of Human Aldose Reductase Complexed with Sulindac
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid
Authors:Zheng, X, Chen, J, Luo, H, Hu, X.
Deposit date:2011-05-10
Release date:2011-11-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
7RRB
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BU of 7rrb by Molmil
IDO1 IN COMPLEX WITH COMPOUND 9
Descriptor: 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1
Authors:Lesburg, C.A.
Deposit date:2021-08-09
Release date:2022-03-16
Last modified:2022-05-11
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing.
J.Med.Chem., 65, 2022
7RRC
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BU of 7rrc by Molmil
IDO1 IN COMPLEX WITH COMPOUND 14
Descriptor: Indoleamine 2,3-dioxygenase 1, N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide
Authors:Lesburg, C.A.
Deposit date:2021-08-09
Release date:2022-03-16
Last modified:2022-05-11
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing.
J.Med.Chem., 65, 2022
7RRD
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BU of 7rrd by Molmil
IDO1 IN COMPLEX WITH COMPOUND S-1
Descriptor: 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1
Authors:Lesburg, C.A.
Deposit date:2021-08-09
Release date:2022-08-24
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Oxetane promise delivered: discovery of long acting IDO1 inhibitors suitable for Q3W oral or parenteral dosing
To Be Published
7L4C
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BU of 7l4c by Molmil
Crystal structure of the DRM2-CTT DNA complex
Descriptor: DNA (5'-D(*AP*TP*TP*AP*TP*TP*AP*AP*TP*(C49)P*TP*TP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*AP*AP*GP*AP*TP*TP*AP*AP*TP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ...
Authors:Fang, J, Song, J.
Deposit date:2020-12-18
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
7L4H
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BU of 7l4h by Molmil
Crystal structure of the DRM2-CTG DNA complex
Descriptor: DNA (5'-D(*AP*TP*TP*CP*CP*TP*AP*AP*TP*(C49)P*TP*GP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*CP*AP*GP*AP*TP*TP*AP*GP*GP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ...
Authors:Fang, J, Song, J.
Deposit date:2020-12-19
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
7L4K
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BU of 7l4k by Molmil
Crystal structure of the DRM2-CCG DNA complex
Descriptor: DNA (5'-D(*AP*TP*TP*CP*CP*TP*AP*AP*TP*(C49)P*CP*GP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*CP*GP*GP*AP*TP*TP*AP*GP*GP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ...
Authors:Fang, J, Song, J.
Deposit date:2020-12-19
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
7L4N
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BU of 7l4n by Molmil
Crystal structure of the DRM2 (C397R)-CCG DNA complex
Descriptor: DNA (5'-D(*AP*TP*TP*CP*CP*TP*AP*AP*TP*(C49)P*CP*GP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*CP*GP*GP*AP*TP*TP*AP*GP*GP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ...
Authors:Fang, J, Song, J.
Deposit date:2020-12-19
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.247 Å)
Cite:Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
7L4M
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BU of 7l4m by Molmil
Crystal structure of the DRM2-CCT DNA complex
Descriptor: DNA (5'-D(*TP*AP*AP*AP*GP*GP*AP*GP*GP*AP*GP*GP*AP*GP*GP*AP*AP*T)-3'), DNA (5'-D(P*AP*TP*TP*CP*CP*TP*CP*CP*TP*(C49)P*CP*TP*CP*CP*TP*TP*TP*A)-3'), DNA (cytosine-5)-methyltransferase DRM2, ...
Authors:Fang, J, Song, J.
Deposit date:2020-12-19
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
7L4F
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BU of 7l4f by Molmil
Crystal structure of the DRM2-CAT DNA complex
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, DNA (5'-D(*AP*TP*TP*CP*CP*TP*CP*CP*TP*(C49)P*AP*TP*CP*CP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*GP*GP*AP*TP*GP*AP*GP*GP*AP*GP*GP*AP*AP*T)-3'), ...
Authors:Fang, J, Song, J.
Deposit date:2020-12-19
Release date:2021-08-04
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
3S3G
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BU of 3s3g by Molmil
Crystal Structure of Human Aldose Reductase Complexed with Tolmetin
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Tolmetin
Authors:Zheng, X, Chen, J, Luo, H, Hu, X.
Deposit date:2011-05-18
Release date:2012-04-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
8U39
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BU of 8u39 by Molmil
Structure of Human Mitochondrial Chaperonin V72I mutant
Descriptor: 60 kDa heat shock protein, mitochondrial
Authors:Chen, L, Wang, J.
Deposit date:2023-09-07
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structure and molecular dynamic simulations explain the enhanced stability and ATP activity of the pathological chaperonin mutant.
Structure, 32, 2024

 

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