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7SUX
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BU of 7sux by Molmil
NADPH-dependent cytochrome P450 reductase 2b from Sorghum bicolor (SbCPR2b) -NADP+ complex
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH--cytochrome P450 reductase
著者Zhang, B, Kang, C.
登録日2021-11-18
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Functional and structural insight into the flexibility of cytochrome P450 reductases from Sorghum bicolor and its implications for lignin composition.
J.Biol.Chem., 298, 2022
7SV0
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BU of 7sv0 by Molmil
NADPH-dependent cytochrome P450 reductase 2b from Sorghum bicolor (SbCPR2b) -oxidized form of NADP+ complex
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH--cytochrome P450 reductase
著者Zhang, B, Kang, C.
登録日2021-11-18
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Functional and structural insight into the flexibility of cytochrome P450 reductases from Sorghum bicolor and its implications for lignin composition.
J.Biol.Chem., 298, 2022
7SUZ
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BU of 7suz by Molmil
NADPH-dependent cytochrome P450 reductase 2b from Sorghum bicolor (SbCPR2b)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADPH--cytochrome P450 reductase
著者Zhang, B, Kang, C.
登録日2021-11-18
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Functional and structural insight into the flexibility of cytochrome P450 reductases from Sorghum bicolor and its implications for lignin composition.
J.Biol.Chem., 298, 2022
7YVV
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BU of 7yvv by Molmil
AcmP1, R-4-hydroxymandelate synthase
分子名称: 4-hydroxyphenylpyruvate dioxygenase, CHLORIDE ION, FE (III) ION, ...
著者Zhang, B, Ge, H.M.
登録日2022-08-19
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Characterization of AcmP1 as the native R-4-hydroxymandelate synthase from biosynthetic pathway of Amycolamycins
To Be Published
6IV9
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BU of 6iv9 by Molmil
the Cas13d binary complex
分子名称: Cas13d, MAGNESIUM ION, crRNA (50-MER)
著者Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y.
登録日2018-12-02
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d.
Nat Commun, 10, 2019
6IV8
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BU of 6iv8 by Molmil
the selenomethionine(SeMet)-derived Cas13d binary complex
分子名称: MAGNESIUM ION, RNA (51-MER), RNA (53-MER), ...
著者Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y.
登録日2018-12-02
公開日2019-06-19
最終更新日2019-06-26
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d.
Nat Commun, 10, 2019
7VYX
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BU of 7vyx by Molmil
Crystal structure of the selenomethionine(SeMet)-derived Cas12c1 (D969A) ternary complex
分子名称: Non-target DNA strand, Selenomethionine (SeMet)-labeled Cas12c1 D969A mutant, Target DNA strand, ...
著者Zhang, B, Lin, J.Y, Perculija, V, OuYang, S.Y.
登録日2021-11-15
公開日2022-11-02
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural insights into target DNA recognition and cleavage by the CRISPR-Cas12c1 system
Nucleic Acids Res., 50, 2022
7D2L
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BU of 7d2l by Molmil
Crystal structure of the Cas12i1 R-loop complex before target DNA cleavage
分子名称: 12i1-D647A, CITRIC ACID, DNA (26-MER), ...
著者Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y.
登録日2020-09-16
公開日2021-05-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
7D8C
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BU of 7d8c by Molmil
Crystal structure of the Cas12i1-crRNA binary complex
分子名称: 12i1, CITRIC ACID, RNA (3-MER), ...
著者Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y.
登録日2020-10-07
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
7D3J
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BU of 7d3j by Molmil
Crystal structure of the Cas12i1 R-loop complex after target DNA cleavage
分子名称: 12i1-WT, CITRIC ACID, DNA (23-MER), ...
著者Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y.
登録日2020-09-19
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
7EU9
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BU of 7eu9 by Molmil
Crystal structure of the selenomethionine(SeMet)-derived Cas12i1 R-loop complex before target DNA cleavage
分子名称: CITRIC ACID, Cas12i1 D647A mutant, DNA (24-MER), ...
著者Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y.
登録日2021-05-16
公開日2021-05-26
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
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
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
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
6DFN
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BU of 6dfn by Molmil
Crystal structure of estrogen receptor alpha in complex with receptor degrader 16aa
分子名称: (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, (8S)-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, ...
著者Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C.
登録日2018-05-15
公開日2019-02-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 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
1L3Q
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BU of 1l3q by Molmil
H. rufescens abalone shell Lustrin A consensus repeat, FPGKNVNCTSGE, pH 7.4, 1-H NMR structure
分子名称: Lustrin A
著者Evans, J.S, Wustman, B.A, Zhang, B, Morse, D.E.
登録日2002-02-28
公開日2002-03-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Model peptide studies of sequence regions in the elastomeric biomineralization protein, Lustrin A. I. The C-domain consensus-PG-, -NVNCT-motif
Biopolymers, 63, 2002
6LZE
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BU of 6lze by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor 11a
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-cyclohexyl-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, Zhang, Y, Jing, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H.
登録日2020-02-19
公開日2020-04-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.505 Å)
主引用文献Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
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
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
6A52
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BU of 6a52 by Molmil
Oxidase ChaP-H1
分子名称: FE (II) ION, dioxidase ChaP-H1
著者Zhang, B, Ge, H.M.
登録日2018-06-21
公開日2018-08-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular Basis for the Final Oxidative Rearrangement Steps in Chartreusin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
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
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

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件を2024-08-14に公開中

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