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PDB: 595 results

8DJU
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BU of 8dju by Molmil
Cytosolic ascorbate peroxidase from Sorghum bicolor - bicyclic dehydroascorbic acid complex
Descriptor: (3aS,6S,6aR)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name), L-ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhang, B, Kang, C.
Deposit date:2022-07-01
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.
Plant Physiol., 192, 2023
8FET
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BU of 8fet by Molmil
Flavanone 4-Reductase from Sorghum bicolor-NADP(H) complex
Descriptor: 3-deoxyanthocyanidin synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, B, Kang, C.
Deposit date:2022-12-06
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway.
Int J Mol Sci, 24, 2023
8FEV
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BU of 8fev by Molmil
Flavanone 4-Reductase from Sorghum bicolor-NADP(H) and dihydroquercetin complex
Descriptor: (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, 3-deoxyanthocyanidin synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhang, B, Kang, C.
Deposit date:2022-12-06
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway.
Int J Mol Sci, 24, 2023
8FIO
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BU of 8fio by Molmil
Hypothetical anthocyanidin reductase from Sorghum bicolor-NADP(H) and naringenin complex
Descriptor: Epimerase domain-containing protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NARINGENIN
Authors:Zhang, B, Kang, C.
Deposit date:2022-12-16
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway.
Int J Mol Sci, 24, 2023
8FEW
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BU of 8few by Molmil
Flavanone 4-Reductase from Sorghum bicolor-naringenin complex
Descriptor: 3-deoxyanthocyanidin synthase, NARINGENIN, SULFATE ION
Authors:Zhang, B, Kang, C.
Deposit date:2022-12-06
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway.
Int J Mol Sci, 24, 2023
8FIP
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BU of 8fip by Molmil
Hypothetical anthocyanidin reducatase from Sorghum bicolor- NADP+ complex
Descriptor: Epimerase domain-containing protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, B, Kang, C.
Deposit date:2022-12-16
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway.
Int J Mol Sci, 24, 2023
8FEU
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BU of 8feu by Molmil
Flavanone 4-Reductase from Sorghum bicolor-NADP(H) and naringenin complex
Descriptor: 3-deoxyanthocyanidin synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NARINGENIN, ...
Authors:Zhang, B, Kang, C.
Deposit date:2022-12-06
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway.
Int J Mol Sci, 24, 2023
6M03
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BU of 6m03 by Molmil
The crystal structure of COVID-19 main protease in apo form
Descriptor: 3C-like proteinase
Authors:Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Rao, Z.
Deposit date:2020-02-19
Release date:2020-03-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
8KIH
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BU of 8kih by Molmil
PhmA, a type I diterpene synthase without NST/DTE motif
Descriptor: (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate, MAGNESIUM ION, diterpene synthase, ...
Authors:Zhang, B, Ge, H.M, Zhu, A, Zhang, Y.
Deposit date:2023-08-23
Release date:2023-10-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biosynthesis of Phomactin Platelet Activating Factor Antagonist Requires a Two-Enzyme Cascade.
Angew.Chem.Int.Ed.Engl., 62, 2023
8KI5
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BU of 8ki5 by Molmil
PhmA, a type I diterpene synthase without NST/DTE motif
Descriptor: (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, PhmA
Authors:Zhang, B, Ge, H.M, Zhu, A, Zhang, Y.
Deposit date:2023-08-22
Release date:2023-10-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Biosynthesis of Phomactin Platelet Activating Factor Antagonist Requires a Two-Enzyme Cascade.
Angew.Chem.Int.Ed.Engl., 62, 2023
6VBY
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BU of 6vby by Molmil
Cinnamate 4-hydroxylase (C4H1) from Sorghum bicolor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cinnamic acid 4-hydroxylase, GLYCEROL, ...
Authors:Zhang, B, Kang, C, Lewis, K.M.
Deposit date:2019-12-19
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Function of the Cytochrome P450 Monooxygenase Cinnamate 4-hydroxylase fromSorghum bicolor.
Plant Physiol., 183, 2020
7XSI
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BU of 7xsi by Molmil
SdnG, a Diels Alderase catalyzed the formation of norbornene skeleton in Sordarin biosynthetic pathway
Descriptor: Sordarin/hypoxysordarin biosynthesis cluster protein G
Authors:Zhang, B, Ge, H.M.
Deposit date:2022-05-14
Release date:2022-12-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Biosynthesis of Sordarin Revealing a Diels-Alderase for the Formation of the Norbornene Skeleton.
Angew.Chem.Int.Ed.Engl., 61, 2022
6M0K
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BU of 6m0k by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor 11b
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
Authors:Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H.
Deposit date:2020-02-22
Release date:2020-04-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.504 Å)
Cite:Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
4L1W
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BU of 4l1w by Molmil
Crystal Structuer of Human 3-alpha Hydroxysteroid Dehydrogenase Type 3 in Complex with NADP+ and Progesterone
Descriptor: Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE, ...
Authors:Zhang, B, Hu, X.-J, Lin, S.-X.
Deposit date:2013-06-03
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Human 3-alpha hydroxysteroid dehydrogenase type 3 (3 alpha-HSD3): The V54L mutation restricting the steroid alternative binding and enhancing the 20 alpha-HSD activity
J.Steroid Biochem.Mol.Biol., 141, 2014
7FE5
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BU of 7fe5 by Molmil
AvmM Catalyzes Macrocyclization in Alchivemycin A Biosynthesis
Descriptor: AvmM, CACODYLATE ION, CHLORIDE ION
Authors:Zhang, B, Ge, H.M.
Deposit date:2021-07-19
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:AvmM catalyses macrocyclization through dehydration/Michael-type addition in alchivemycin A biosynthesis.
Nat Commun, 13, 2022
7FE6
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BU of 7fe6 by Molmil
AvmM Catalyzes Macrocyclization in Alchivemycin A Biosynthesis
Descriptor: Alchivemycin A, AvmM, CHLORIDE ION
Authors:Zhang, B, Ge, H.M.
Deposit date:2021-07-19
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:AvmM catalyses macrocyclization through dehydration/Michael-type addition in alchivemycin A biosynthesis.
Nat Commun, 13, 2022
7FE0
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BU of 7fe0 by Molmil
AvmM Catalyzes Macrocyclization in Alchivemycin A Biosynthesis
Descriptor: AvmM, CACODYLATE ION, CHLORIDE ION, ...
Authors:Zhang, B, Ge, H.M.
Deposit date:2021-07-19
Release date:2021-09-01
Last modified:2022-09-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:AvmM catalyses macrocyclization through dehydration/Michael-type addition in alchivemycin A biosynthesis.
Nat Commun, 13, 2022
3VBC
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BU of 3vbc by Molmil
Crystal Structure of iL-17 receptor B SEFIR domain
Descriptor: Interleukin-17 receptor B
Authors:Zhang, B, Liu, C, Li, X, Deng, J.
Deposit date:2012-01-02
Release date:2013-02-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of IL-17 Receptor B SEFIR Domain.
J.Immunol., 190, 2013
7ZH0
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BU of 7zh0 by Molmil
Structure of human OCT3 in lipid nanodisc
Descriptor: Solute carrier family 22 member 3
Authors:Khanppnavar, B, Korkhov, V, Qi, C.
Deposit date:2022-04-05
Release date:2022-11-09
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of organic cation transporter-3 inhibition.
Nat Commun, 13, 2022
7WNX
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BU of 7wnx by Molmil
Cryo-EM structure of Mycobacterium smegmatis MmpL3 complexed with ST004 in lipid nanodiscs
Descriptor: N-[2-(2-adamantylamino)ethyl]-1-[2,4-bis(fluoranyl)phenyl]-5-(4-chlorophenyl)-4-methyl-pyrazole-3-carboxamide, Trehalose monomycolate exporter MmpL3
Authors:Zhang, B, Hu, T, Yang, X, Liu, F, Rao, Z.
Deposit date:2022-01-20
Release date:2022-08-03
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Structure-based design of anti-mycobacterial drug leads that target the mycolic acid transporter MmpL3.
Structure, 30, 2022
4L1X
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BU of 4l1x by Molmil
Crystal Structuer of Human 3-alpha Hydroxysteroid Dehydrogenase Type 3 V54L Mutant in Complex with NADP+ and Progesterone
Descriptor: Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE, ...
Authors:Zhang, B, Hu, X.-J, Lin, S.-X.
Deposit date:2013-06-03
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human 3-alpha hydroxysteroid dehydrogenase type 3 (3 alpha-HSD3): The V54L mutation restricting the steroid alternative binding and enhancing the 20 alpha-HSD activity
J.Steroid Biochem.Mol.Biol., 141, 2014
8I16
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BU of 8i16 by Molmil
Crystal structure of the selenomethionine (SeMet)-derived Cas12g (D513A) mutant
Descriptor: Cas12g, ZINC ION
Authors:Zhang, B, Chen, J, Ye, Y.M, OuYang, S.Y.
Deposit date:2023-01-12
Release date:2023-08-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural transitions upon guide RNA binding and their importance in Cas12g-mediated RNA cleavage.
Plos Genet., 19, 2023
1IXV
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BU of 1ixv by Molmil
Crystal Structure Analysis of homolog of oncoprotein gankyrin, an interactor of Rb and CDK4/6
Descriptor: Probable 26S proteasome regulatory subunit p28
Authors:Padmanabhan, B, Adachi, N, Kataoka, K, Horikoshi, M.
Deposit date:2002-07-09
Release date:2003-12-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the homolog of the oncoprotein gankyrin, an interactor of Rb and CDK4/6
J.BIOL.CHEM., 279, 2004
7EXI
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BU of 7exi by Molmil
Crystal structure of the BTB domain human Keap1
Descriptor: Kelch-like ECH-associated protein 1
Authors:Padmanabhan, B, Deshmukh, P, Gopinath, K, Unni, S.
Deposit date:2021-05-27
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of the BTB domain human Keap1
To Be Published
7VRM
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BU of 7vrm by Molmil
crystal structure of BRD2-BD2 in complex with purine derivative
Descriptor: Bromodomain-containing protein 2, THEOPHYLLINE
Authors:Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
Deposit date:2021-10-23
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023

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