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PDB: 182 件
3VBC
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BU of 3vbc by Molmil
Crystal Structure of iL-17 receptor B SEFIR domain
分子名称: Interleukin-17 receptor B
著者Zhang, B, Liu, C, Li, X, Deng, J.
登録日2012-01-02
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of IL-17 Receptor B SEFIR Domain.
J.Immunol., 190, 2013
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
5I95
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BU of 5i95 by Molmil
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid
分子名称: 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ...
著者Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K.
登録日2016-02-19
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
6AJI
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BU of 6aji by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with Rimonabant
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ...
著者Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
登録日2018-08-27
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
6AJF
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BU of 6ajf by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Drug exporters of the RND superfamily-like protein,Endolysin, alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside
著者Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
登録日2018-08-27
公開日2018-12-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
6AJG
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Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SQ109
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, DODECYL-BETA-D-MALTOSIDE, Drug exporters of the RND superfamily-like protein,Endolysin, ...
著者Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
登録日2018-08-27
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
6AJJ
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Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with ICA38
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ...
著者Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
登録日2018-08-27
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
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
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
6AJH
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BU of 6ajh by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with AU1235
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea, Drug exporters of the RND superfamily-like protein,Endolysin, ...
著者Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
登録日2018-08-27
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.818 Å)
主引用文献Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
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
4XO7
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BU of 4xo7 by Molmil
Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with NADP+, 5alpha-androstan-3,17-dione and (3beta, 5alpha)-3-hydroxyandrostan-17-one
分子名称: 4-ANDROSTENE-3-17-DIONE, Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zhang, B, Hu, X.-J, Lin, S.-X.
登録日2015-01-16
公開日2016-02-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Human 3 alpha-hydroxysteroid dehydrogenase type 3: structural clues of 5 alpha-DHT reverse binding and enzyme down-regulation decreasing MCF7 cell growth.
Biochem.J., 473, 2016
4XO6
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BU of 4xo6 by Molmil
Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with NADP+, 5alpha-androstan-3,17-dione and (3beta, 5alpha)-3-hydroxyandrostan-17-one
分子名称: (3Beta,5alpha)-3-Hydroxyandrostan-17-one, 1,2-ETHANEDIOL, 5ALPHA-ANDROSTAN-3,17-DIONE, ...
著者Zhang, B, Hu, X.-J, Lin, S.-X.
登録日2015-01-16
公開日2016-02-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Human 3 alpha-hydroxysteroid dehydrogenase type 3: structural clues of 5 alpha-DHT reverse binding and enzyme down-regulation decreasing MCF7 cell growth.
Biochem.J., 473, 2016
6A5F
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BU of 6a5f by Molmil
The structure of [4+2] and [6+4] cyclase in the biosynthetic pathway of nargenicin
分子名称: NgnD
著者Zhang, B, Ge, H.M.
登録日2018-06-23
公開日2019-02-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Enzyme-catalysed [6+4] cycloadditions in the biosynthesis of natural products.
Nature, 568, 2019
6A5G
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BU of 6a5g by Molmil
The structure of [4+2] and [6+4] cyclase in the biosynthetic pathway of streptoseomycin
分子名称: [4+2] and [4+6] cyclase StmD
著者Zhang, B, Ge, H.M.
登録日2018-06-23
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Enzyme-catalysed [6+4] cycloadditions in the biosynthesis of natural products.
Nature, 568, 2019
6A5H
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BU of 6a5h by Molmil
The structure of [4+2] and [6+4] cyclase in the biosynthetic pathway of unidentified natural product
分子名称: 101015D
著者Zhang, B, Ge, H.M.
登録日2018-06-23
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.618 Å)
主引用文献Enzyme-catalysed [6+4] cycloadditions in the biosynthesis of natural products.
Nature, 568, 2019
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
4L1W
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Crystal Structuer of Human 3-alpha Hydroxysteroid Dehydrogenase Type 3 in Complex with NADP+ and Progesterone
分子名称: Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE, ...
著者Zhang, B, Hu, X.-J, Lin, S.-X.
登録日2013-06-03
公開日2014-04-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
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
分子名称: Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE, ...
著者Zhang, B, Hu, X.-J, Lin, S.-X.
登録日2013-06-03
公開日2014-04-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
4NUX
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BU of 4nux by Molmil
Structure of receptor A
分子名称: Interleukin-17 receptor A
著者Zhang, B, Han, Y, Deng, J.
登録日2013-12-04
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Structure of the unique SEFIR domain from human interleukin 17 receptor A reveals a composite ligand-binding site containing a conserved alpha-helix for Act1 binding and IL-17 signaling.
Acta Crystallogr.,Sect.D, 70, 2014
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
6A52
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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

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