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7KPQ
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BU of 7kpq by Molmil
Crystal structure of CtdE in complex with FAD
分子名称: FAD-dependent monooxygenase CtdE, FLAVIN-ADENINE DINUCLEOTIDE
著者Zhao, B, Hu, L.
登録日2020-11-12
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins.
Nat Commun, 12, 2021
6UWU
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BU of 6uwu by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0516
分子名称: 1,2-ETHANEDIOL, 2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one, Bromodomain-containing protein 4
著者Leonard, P.G, Joseph, S.
登録日2019-11-05
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
J.Med.Chem., 63, 2020
5TVD
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BU of 5tvd by Molmil
Crystal structure of Tm16
分子名称: Tm16
著者Asojo, O.A.
登録日2016-11-08
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.734 Å)
主引用文献Identification, Characterization, and Structure of Tm16 from Trichuris muris.
J Parasitol Res, 2017, 2017
7D8T
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BU of 7d8t by Molmil
MITF bHLHLZ complex with M-box DNA
分子名称: DNA (5'-D(*TP*GP*TP*AP*AP*CP*AP*TP*GP*TP*GP*TP*CP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*AP*CP*AP*CP*AP*TP*GP*TP*TP*AP*CP*AP*G)-3'), Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit
著者Guo, M, Fang, P, Wang, J.
登録日2020-10-09
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.201 Å)
主引用文献A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7D8S
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BU of 7d8s by Molmil
MITF bHLHLZ apo structure
分子名称: Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit, SULFATE ION
著者Guo, M, Fang, P, Wang, J.
登録日2020-10-09
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7D8R
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BU of 7d8r by Molmil
MITF HLHLZ structure
分子名称: Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit
著者Guo, M, Fang, P, Wang, J.
登録日2020-10-09
公開日2021-10-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
6KVL
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BU of 6kvl by Molmil
Crystal structure of UDP-RebB-SrUGT76G1
分子名称: (8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid, UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
著者Li, J.X, Liu, Z.F, Wang, Y, Zhang, P.
登録日2019-09-04
公開日2019-11-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1.
Plant Commun., 1, 2020
6KVI
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BU of 6kvi by Molmil
Crystal structure of UDP-SrUGT76G1
分子名称: UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
著者Li, J.X, Liu, Z.F, Wang, Y, Zhang, P.
登録日2019-09-04
公開日2019-11-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1.
Plant Commun., 1, 2020
7WCV
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BU of 7wcv by Molmil
Co-crystal structure of FTO bound to 6e
分子名称: 2-OXOGLUTARIC ACID, 2-[[2,6-bis(chloranyl)-4-pyridin-4-yl-phenyl]amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ...
著者Yang, C.-G, Gan, J.H.
登録日2021-12-20
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Activity Relationships and Antileukemia Effects of the Tricyclic Benzoic Acid FTO Inhibitors.
J.Med.Chem., 65, 2022
7UIE
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BU of 7uie by Molmil
Crystal structure of HcE-JLE-G6
分子名称: Botulinum neurotoxin E heavy chain, JLE-G6
著者Jin, R, Lam, K.
登録日2022-03-29
公開日2023-04-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2.
Nat Commun, 14, 2023
3KLX
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BU of 3klx by Molmil
Crystal structure of native abscisic acid receptor PYL3
分子名称: F3N23.20 protein, SULFATE ION
著者Zhang, X, Wang, G, Chen, Z.
登録日2009-11-09
公開日2010-11-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
3KL1
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BU of 3kl1 by Molmil
Crystal structure of abscisic acid receptor PYL2 at 1.55 A
分子名称: Putative uncharacterized protein At2g26040
著者Zhang, X, Wang, G, Chen, Z.
登録日2009-11-06
公開日2010-11-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
3KME
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BU of 3kme by Molmil
Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor
分子名称: (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
著者Orth, P.
登録日2009-11-10
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
3KMC
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BU of 3kmc by Molmil
Crystal structure of catalytic domain of TACE with tartrate-based inhibitor
分子名称: (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TNF-alpha-converting enzyme, ...
著者Orth, P.
登録日2009-11-10
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
7BZF
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BU of 7bzf by Molmil
COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex
分子名称: Non-structural protein 7, Non-structural protein 8, RNA (31-MER), ...
著者Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z.
登録日2020-04-27
公開日2020-06-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
7BTF
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BU of 7btf by Molmil
SARS-CoV-2 RNA-dependent RNA polymerase in complex with cofactors in reduced condition
分子名称: Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ...
著者Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z.
登録日2020-04-01
公開日2020-04-08
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structure of the RNA-dependent RNA polymerase from COVID-19 virus.
Science, 368, 2020
7YPG
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BU of 7ypg by Molmil
Cryo-EM structure of amyloid fibril formed by tau (297-391)
分子名称: Isoform Tau-E of Microtubule-associated protein tau
著者Zhang, S.Q, Li, X, Liu, C.
登録日2022-08-03
公開日2022-12-14
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Subtle change of fibrillation condition leads to substantial alteration of recombinant Tau fibril structure.
Iscience, 25, 2022
7YMN
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BU of 7ymn by Molmil
Cryo-EM structure of in vitro PHF fibril
分子名称: Isoform Tau-D of Microtubule-associated protein tau
著者Li, X, Liu, C.
登録日2022-07-28
公開日2022-12-14
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Subtle change of fibrillation condition leads to substantial alteration of recombinant Tau fibril structure.
Iscience, 25, 2022
5FHD
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BU of 5fhd by Molmil
Structure of Bacteroides sp Pif1 complexed with tailed dsDNA resulting in ssDNA bound complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*CP*CP*GP*GP*GP*GP*CP*CP*GP*CP*GP*C)-3'), MAGNESIUM ION, ...
著者Zhou, X, Ren, W, Bharath, S.R, Song, H.
登録日2015-12-22
公開日2016-03-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
5FHH
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BU of 5fhh by Molmil
Structure of human Pif1 helicase domain residues 200-641
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, TETRAFLUOROALUMINATE ION
著者Zhou, X, Ren, W, Bharath, S.R, Song, H.
登録日2015-12-22
公開日2016-03-30
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
5FHG
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BU of 5fhg by Molmil
Structure of unliganded Pif1 from Bacteroides sp
分子名称: Uncharacterized protein
著者Zhou, X, Ren, W, Bharath, S.R, Song, H.
登録日2015-12-22
公開日2016-03-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
5FHF
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BU of 5fhf by Molmil
Crystal structure of Bacteroides sp Pif1 in complex with ADP-AlF4
分子名称: ADENOSINE-5'-DIPHOSPHATE, TETRAFLUOROALUMINATE ION, Uncharacterized protein
著者Zhou, X, Ren, W, Bharath, S.R, Song, H.
登録日2015-12-22
公開日2016-03-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
8IER
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BU of 8ier by Molmil
Cryo-EM structure of ATP13A2 in the putative of E2 state
分子名称: Polyamine-transporting ATPase 13A2, SPERMINE
著者Liu, Z.M, Mu, J.Q, Xue, C.Y.
登録日2023-02-15
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (4.87 Å)
主引用文献Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
5X8H
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BU of 5x8h by Molmil
Crystal structure of the ketone reductase ChKRED20 from the genome of Chryseobacterium sp. CA49
分子名称: Short-chain dehydrogenase reductase
著者Zhao, F.J, Jin, Y, Liu, Z.C, Wang, G.G, Wu, Z.L.
登録日2017-03-02
公開日2017-11-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure and iterative saturation mutagenesis of ChKRED20 for expanded catalytic scope
Appl. Microbiol. Biotechnol., 101, 2017
5XNO
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BU of 5xno by Molmil
Structure of M-LHCII and CP24 complexes in the unstacked C2S2M2-type PSII-LHCII supercomplex from Pisum sativum
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Su, X.D, Ma, J, Wei, X.P, Cao, P, Zhu, D.J, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M.
登録日2017-05-23
公開日2017-09-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure and assembly mechanism of plant C2S2M2-type PSII-LHCII supercomplex
Science, 357, 2017

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