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6A4X
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BU of 6a4x by Molmil
Oxidase ChaP-H2
分子名称: Bleomycin resistance protein, FE (II) ION
著者Zhang, B, Wang, Y.S, Ge, H.M.
登録日2018-06-21
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Molecular Basis for the Final Oxidative Rearrangement Steps in Chartreusin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
6A4Z
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BU of 6a4z by Molmil
Oxidase ChaP
分子名称: ChaP protein, FE (II) ION
著者Zhang, B, Ge, H.M.
登録日2018-06-21
公開日2018-08-29
最終更新日2018-09-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular Basis for the Final Oxidative Rearrangement Steps in Chartreusin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
6M0K
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BU of 6m0k by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor 11b
分子名称: 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
著者Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H.
登録日2020-02-22
公開日2020-04-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.504 Å)
主引用文献Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
6M03
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BU of 6m03 by Molmil
The crystal structure of COVID-19 main protease in apo form
分子名称: 3C-like proteinase
著者Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Rao, Z.
登録日2020-02-19
公開日2020-03-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
6DF6
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BU of 6df6 by Molmil
Crystal structure of estrogen receptor alpha in complex with receptor degrader 16ab
分子名称: (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, GLYCEROL
著者Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C.
登録日2018-05-14
公開日2019-02-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.
Bioorg. Med. Chem. Lett., 29, 2019
5TDL
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BU of 5tdl by Molmil
Crystal structure of prefusion-stabilized bovine RSV fusion glycoprotein (single-chain DS2-v1 variant: strain 391-2 sc9 DS-Cav1 Q98C Q361C)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bovine prefusion RSV F glycoprotein
著者Chen, L, Zhang, B, Kwong, P.D.
登録日2016-09-19
公開日2017-08-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Protection of calves by a prefusion-stabilized bovine RSV F vaccine.
NPJ Vaccines, 2, 2017
5TDG
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BU of 5tdg by Molmil
Crystal structure of prefusion-stabilized bovine RSV F (DS-Cav1 variant: strain ATue51908)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0,Fibritin
著者Chen, L, Zhang, B, Kwong, P.D.
登録日2016-09-19
公開日2017-08-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Protection of calves by a prefusion-stabilized bovine RSV F vaccine.
NPJ Vaccines, 2, 2017
8I16
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BU of 8i16 by Molmil
Crystal structure of the selenomethionine (SeMet)-derived Cas12g (D513A) mutant
分子名称: Cas12g, ZINC ION
著者Zhang, B, Chen, J, Ye, Y.M, OuYang, S.Y.
登録日2023-01-12
公開日2023-08-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural transitions upon guide RNA binding and their importance in Cas12g-mediated RNA cleavage.
Plos Genet., 19, 2023
8FET
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BU of 8fet by Molmil
Flavanone 4-Reductase from Sorghum bicolor-NADP(H) complex
分子名称: 3-deoxyanthocyanidin synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, B, Kang, C.
登録日2022-12-06
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献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
分子名称: (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, ...
著者Zhang, B, Kang, C.
登録日2022-12-06
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献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
分子名称: Epimerase domain-containing protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NARINGENIN
著者Zhang, B, Kang, C.
登録日2022-12-16
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献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
分子名称: 3-deoxyanthocyanidin synthase, NARINGENIN, SULFATE ION
著者Zhang, B, Kang, C.
登録日2022-12-06
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献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
分子名称: Epimerase domain-containing protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, B, Kang, C.
登録日2022-12-16
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: 3-deoxyanthocyanidin synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NARINGENIN, ...
著者Zhang, B, Kang, C.
登録日2022-12-06
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献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
4IMA
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BU of 4ima by Molmil
The structure of C436M-hLPYK in complex with Citrate/Mn/ATP/Fru-1,6-BP
分子名称: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE, ...
著者Zhang, B, Holyoak, T, Fenton, A.W, Tang, Q.L, Prasannan, C.B, Deng, J.P.
登録日2013-01-02
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献Energetic Coupling between an Oxidizable Cysteine and the Phosphorylatable N-Terminus of Human Liver Pyruvate Kinase.
Biochemistry, 52, 2013
7C2M
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BU of 7c2m by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with NITD-349
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Chimera of drug exporters of the RND superfamily-like protein and Endolysin, N-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1H-indole-2-carboxamide, ...
著者Zhang, B, Yang, X, Hu, T, Rao, Z.
登録日2020-05-08
公開日2020-12-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Basis for the Inhibition of Mycobacterial MmpL3 by NITD-349 and SPIRO.
J.Mol.Biol., 432, 2020
7FE5
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BU of 7fe5 by Molmil
AvmM Catalyzes Macrocyclization in Alchivemycin A Biosynthesis
分子名称: AvmM, CACODYLATE ION, CHLORIDE ION
著者Zhang, B, Ge, H.M.
登録日2021-07-19
公開日2021-09-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献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
分子名称: Alchivemycin A, AvmM, CHLORIDE ION
著者Zhang, B, Ge, H.M.
登録日2021-07-19
公開日2021-09-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: AvmM, CACODYLATE ION, CHLORIDE ION, ...
著者Zhang, B, Ge, H.M.
登録日2021-07-19
公開日2021-09-01
最終更新日2022-09-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献AvmM catalyses macrocyclization through dehydration/Michael-type addition in alchivemycin A biosynthesis.
Nat Commun, 13, 2022
7E36
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BU of 7e36 by Molmil
A [6+4]-cycloaddition adduct is the biosynthetic intermediate in streptoseomycin biosynthesis
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkanesulfonate monooxygenase SsuD/methylene tetrahydromethanopterin reductase-like flavin-dependent oxidoreductase (Luciferase family), ...
著者Zhang, B, Ge, H.M.
登録日2021-02-08
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A [6+4]-cycloaddition adduct is the biosynthetic intermediate in streptoseomycin biosynthesis.
Nat Commun, 12, 2021
7C2N
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BU of 7c2n by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SPIRO
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine], Drug exporters of the RND superfamily-like protein,Endolysin, ...
著者Zhang, B, Yang, X, Hu, T, Rao, Z.
登録日2020-05-08
公開日2020-12-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structural Basis for the Inhibition of Mycobacterial MmpL3 by NITD-349 and SPIRO.
J.Mol.Biol., 432, 2020
7WNX
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BU of 7wnx by Molmil
Cryo-EM structure of Mycobacterium smegmatis MmpL3 complexed with ST004 in lipid nanodiscs
分子名称: N-[2-(2-adamantylamino)ethyl]-1-[2,4-bis(fluoranyl)phenyl]-5-(4-chlorophenyl)-4-methyl-pyrazole-3-carboxamide, Trehalose monomycolate exporter MmpL3
著者Zhang, B, Hu, T, Yang, X, Liu, F, Rao, Z.
登録日2022-01-20
公開日2022-08-03
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献Structure-based design of anti-mycobacterial drug leads that target the mycolic acid transporter MmpL3.
Structure, 30, 2022
7WIX
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BU of 7wix by Molmil
Cryo-EM structure of Mycobacterium tuberculosis irtAB in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mycobactin import ATP-binding/permease protein IrtA, ...
著者Zhang, B, Sun, S, Yang, H, Rao, Z.
登録日2022-01-05
公開日2023-01-25
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB.
Protein Cell, 14, 2023
7WIV
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BU of 7wiv by Molmil
Cryo-EM structure of Mycobacterium tuberculosis irtAB in complex with an AMP-PNP
分子名称: Mycobactin import ATP-binding/permease protein IrtA, Mycobactin import ATP-binding/permease protein IrtB, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Zhang, B, Sun, S, Yang, H, Rao, Z.
登録日2022-01-05
公開日2023-01-25
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB.
Protein Cell, 14, 2023
7WIU
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BU of 7wiu by Molmil
Cryo-EM structure of Mycobacterium tuberculosis irtAB in inward-facing state
分子名称: Mycobactin import ATP-binding/permease protein IrtA, Mycobactin import ATP-binding/permease protein IrtB
著者Zhang, B, Sun, S, Yang, H, Rao, Z.
登録日2022-01-05
公開日2023-01-25
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB.
Protein Cell, 14, 2023

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件を2024-07-03に公開中

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