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6DQ3
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BU of 6dq3 by Molmil
Streptococcus pyogenes deacetylase PplD in complex with acetate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, IMIDAZOLE, ...
著者Li, J, Korotkova, N, Korotkov, K.V.
登録日2018-06-10
公開日2019-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献PplD is a de-N-acetylase of the cell wall linkage unit of streptococcal rhamnopolysaccharides
Nat Commun, 13, 2022
7CA8
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BU of 7ca8 by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor Shikonin
分子名称: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
著者Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J.
登録日2020-06-08
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of SARS-CoV-2 main protease in complex with the natural product inhibitor shikonin illuminates a unique binding mode.
Sci Bull (Beijing), 66, 2021
5ZCK
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Structure of the RIP3 core region
分子名称: SODIUM ION, peptide from Receptor-interacting serine/threonine-protein kinase 3
著者Li, J, Wu, H.
登録日2018-02-18
公開日2018-04-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.271 Å)
主引用文献The Structure of the Necrosome RIPK1-RIPK3 Core, a Human Hetero-Amyloid Signaling Complex.
Cell, 173, 2018
8FIA
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BU of 8fia by Molmil
The structure of fly Teneurin self assembly
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bandekar, S.J, Li, J, Arac, D.
登録日2022-12-15
公開日2023-05-03
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structure of fly Teneurin-m reveals an asymmetric self-assembly that allows expansion into zippers.
Embo Rep., 24, 2023
7CFU
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BU of 7cfu by Molmil
Crystal Structure of FMN-dependent Cysteine Decarboxylases SpaF
分子名称: ARGININE, DNA/pantothenate metabolism flavoprotein, FLAVIN MONONUCLEOTIDE
著者Li, J, Lu, J, Wang, H, Zhu, J.
登録日2020-06-28
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Characterization of FMN-dependent Cysteine Decarboxylases SPAF
To Be Published
2L26
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Rv0899 from Mycobacterium tuberculosis contains two separated domains
分子名称: Uncharacterized protein Rv0899/MT0922
著者Shi, C, Li, J, Gao, Y, Wu, K, Huang, H, Tian, C.
登録日2010-08-12
公開日2011-08-17
最終更新日2011-12-07
実験手法SOLUTION NMR
主引用文献Structural Studies of Mycobacterium tuberculosis Rv0899 Reveal a Monomeric Membrane-Anchoring Protein with Two Separate Domains
J.Mol.Biol., 2011
7VTC
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BU of 7vtc by Molmil
Crystal structure of MERS main protease in complex with PF07321332
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Lin, C, Zhong, F.L, Zhou, X.L, Zhang, J, Li, J.
登録日2021-10-28
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.53865623 Å)
主引用文献Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7VLP
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Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P1211
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, Replicase polyprotein 1a
著者Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J.
登録日2021-10-05
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.50251937 Å)
主引用文献Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7VLO
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BU of 7vlo by Molmil
Crystal structure of SARS coronavirus main protease in complex with PF07321332
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
登録日2021-10-05
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.0227 Å)
主引用文献Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7VLQ
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BU of 7vlq by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P212121
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Zhou, X.L, Zhong, F.L, Lin, C, Zhang, J, Li, J.
登録日2021-10-05
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.939106 Å)
主引用文献Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7VVP
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BU of 7vvp by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with PF07304814
分子名称: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Zhou, X.L, Zhong, F.L, Lin, C, Zeng, P, Zhang, J, Li, J.
登録日2021-11-07
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814
J.Mol.Biol., 434, 2022
7WQH
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BU of 7wqh by Molmil
Crystal structure of HCoV-NL63 main protease with PF07304814
分子名称: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Zhong, F.L, Zhou, X.L, Lin, C, Zeng, P, Li, J, Zhang, J.
登録日2022-01-25
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814
J.Mol.Biol., 434, 2022
7WQJ
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BU of 7wqj by Molmil
Crystal structure of MERS main protease in complex with PF07304814
分子名称: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Lin, C, Zhang, J, Li, J.
登録日2022-01-25
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814
J.Mol.Biol., 434, 2022
7YF7
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BU of 7yf7 by Molmil
NMR solution structures of the DNA minidumbbell formed by two ATTTT repeats
分子名称: DNA (5'-D(*AP*TP*TP*TP*TP*AP*TP*TP*TP*T)-3'), SODIUM ION
著者Wan, L, Li, J, Guo, P.
登録日2022-07-07
公開日2023-01-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Nuclear Magnetic Resonance Structures of ATTTT and ATTTC Pentanucleotide Repeats Associated with SCA37 and FAMEs.
Acs Chem Neurosci, 14, 2023
4MLO
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BU of 4mlo by Molmil
1.65A resolution structure of ToxT from Vibrio cholerae (P21 Form)
分子名称: CHLORIDE ION, PALMITOLEIC ACID, TCP pilus virulence regulatory protein
著者Lovell, S, Wehmeyer, G, Battaile, K.P, Li, J, Egan, S.
登録日2013-09-06
公開日2016-04-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献1.65 angstrom resolution structure of the AraC-family transcriptional activator ToxT from Vibrio cholerae.
Acta Crystallogr F Struct Biol Commun, 72, 2016
7YH5
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BU of 7yh5 by Molmil
MazG(Mycobacterium tuberculosis)
分子名称: MAGNESIUM ION, Nucleoside triphosphate pyrophosphohydrolase
著者Li, J, Wang, S.
登録日2022-07-12
公開日2023-07-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural analysis of the housecleaning nucleoside triphosphate pyrophosphohydrolase MazG from Mycobacterium tuberculosis.
Front Microbiol, 14, 2023
7VFJ
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Cytochrome c-type biogenesis protein CcmABCD
分子名称: Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, Heme exporter protein C, ...
著者Zhu, J.P, Zhang, K, Li, J, Zheng, W, Gu, M.
登録日2021-09-13
公開日2022-11-09
実験手法ELECTRON MICROSCOPY (3.98 Å)
主引用文献Structures of the CcmABCD heme release complex at multiple states.
Nat Commun, 13, 2022
8IC1
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BU of 8ic1 by Molmil
endo-alpha-D-arabinanase EndoMA1 D51N mutant from Microbacterium arabinogalactanolyticum in complex with arabinooligosaccharides
分子名称: (3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Li, J, Nakashima, C, Ishiwata, A, Fujita, K, Fushinobu, S.
登録日2023-02-10
公開日2023-08-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
6LDZ
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Crystal structure of Rv0222 from Mycobacterium tuberculosis
分子名称: Probable enoyl-CoA hydratase EchA1 (Enoyl hydrase) (Unsaturated acyl-CoA hydratase) (Crotonase)
著者Li, J, Ran, Y.J, Wang, L, Wu, J.H, Ge, B.X, Rao, Z.H.
登録日2019-11-23
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Host-mediated ubiquitination of a mycobacterial protein suppresses immunity.
Nature, 577, 2020
5DTH
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BU of 5dth by Molmil
Crystal structure of MUPP1 PDZ8 domain from rattus norvegicus
分子名称: Multiple PDZ domain protein
著者Li, J, Lv, Y, Zhu, H, Liu, W.
登録日2015-09-18
公開日2016-09-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure and biochemical characteristics of MUPP1 PDZ8 domain from rattus norregicus
To Be Published
6JLS
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BU of 6jls by Molmil
Crystal Structure of FMN-dependent Cysteine Decarboxylases TvaF from Thioviridamide Biosynthesis
分子名称: FLAVIN MONONUCLEOTIDE, Putative flavoprotein decarboxylase
著者Li, J, Lu, J, Wang, H, Zhu, J.
登録日2019-03-06
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Characterization of the FMN-Dependent Cysteine Decarboxylase from Thioviridamide Biosynthesis.
Org.Lett., 21, 2019
7CDB
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BU of 7cdb by Molmil
Structure of GABARAPL1 in complex with GABA(A) receptor gamma 2
分子名称: ACETATE ION, CITRIC ACID, Gamma-aminobutyric acid receptor subunit gamma-2, ...
著者Li, J, Ye, J, Zhu, R, Kong, C, Zhang, M, Wang, C.
登録日2020-06-19
公開日2020-12-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献Structural basis of GABARAP-mediated GABA A receptor trafficking and functions on GABAergic synaptic transmission.
Nat Commun, 12, 2021
1BU9
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SOLUTION STRUCTURE OF P18-INK4C, 21 STRUCTURES
分子名称: PROTEIN (CYCLIN-DEPENDENT KINASE 6 INHIBITOR)
著者Byeon, I.-J.L, Li, J, Tsai, M.-D.
登録日1998-09-15
公開日1999-09-13
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Tumor suppressor INK4: determination of the solution structure of p18INK4C and demonstration of the functional significance of loops in p18INK4C and p16INK4A.
Biochemistry, 38, 1999
4PY4
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BU of 4py4 by Molmil
Crystal structure of human poly(ADP-ribose) polymerase 14, catalytic domain in complex with an inhibitor XL2
分子名称: 2-({4-[(1R)-1-(dimethylamino)ethyl]phenyl}amino)-6-fluoro-1,3-benzothiazole-4-carboxamide, Poly [ADP-ribose] polymerase 14
著者Li, J, Xu, Y.
登録日2014-03-26
公開日2015-04-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Palladium-catalyzed N-arylation of 2-aminobenzothiazole-4-carboxylates/carboxamides: facile synthesis of PARP14 inhibitors
Tetrahedron, 70, 2017
6N43
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Crystal structure of cysteine, nitric oxide-bound ferrous form of the crosslinked human cysteine dioxygenase in the anaerobic condition
分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (III) ION, ...
著者Liu, A, Li, J.
登録日2018-11-16
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.289 Å)
主引用文献Probing the Cys-Tyr Cofactor Biogenesis in Cysteine Dioxygenase by the Genetic Incorporation of Fluorotyrosine.
Biochemistry, 58, 2019

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