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PDB: 232 件
1QHI
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BU of 1qhi by Molmil
HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE COMPLEXED WITH A NOVEL NON-SUBSTRATE INHIBITOR, 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE
分子名称: 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE, PROTEIN (THYMIDINE KINASE), SULFATE ION
著者Bennett, M.S, Wien, F, Champness, J.N, Batuwangala, T, Rutherford, T, Summers, W.C, Sun, H, Wright, G, Sanderson, M.R.
登録日1999-05-12
公開日1999-07-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir.
FEBS Lett., 443, 1999
4JAH
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BU of 4jah by Molmil
Crystal structure of 2-Selenouridine containing RNA
分子名称: POTASSIUM ION, RNA (5'-R(*GP*UP*GP*UP*AP*(RUS)P*AP*C)-3')
著者Jiang, S, Gan, J, Sun, H, Huang, Z.
登録日2013-02-18
公開日2014-01-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of 2-Selenouridine containing RNA
To be Published
8HF8
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BU of 8hf8 by Molmil
Human PPAR delta ligand binding domain in complex with a synthetic agonist V1
分子名称: 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside
著者Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q.
登録日2022-11-09
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of the First Subnanomolar PPAR alpha / delta Dual Agonist for the Treatment of Cholestatic Liver Diseases.
J.Med.Chem., 66, 2023
4JAB
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BU of 4jab by Molmil
U/G Wobble Base Pair in a RNA Duplex
分子名称: RNA (5'-R(*GP*UP*GP*UP*AP*UP*AP*C)-3'), STRONTIUM ION
著者Jiang, S, Sun, H, Gan, J, Huang, Z.
登録日2013-02-18
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献2-Se Uridine enhanced U/G Wobble Base Pair Discrimination
To be Published
4KW0
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BU of 4kw0 by Molmil
Structure of Dickerson-Drew Dodecamer with 2'-MeSe-ara-G modification
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*(1TW)P*CP*G)-3'), MAGNESIUM ION
著者Jiang, S, Gan, J, Sheng, J, Sun, H, Huang, Z.
登録日2013-05-23
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structure of Dickerson-Drew Dodecamer with 2'-MeSe-ara-G modification
TO BE PUBLISHED
7WAA
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BU of 7waa by Molmil
Crystal structure of MCR-1-S treated by AgNO3
分子名称: Probable phosphatidylethanolamine transferase Mcr-1, SILVER ION
著者Zhang, Q, Wang, M, Sun, H.
登録日2021-12-13
公開日2022-03-16
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Re-sensitization of mcr carrying multidrug resistant bacteria to colistin by silver.
Proc.Natl.Acad.Sci.USA, 119, 2022
7FJ1
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BU of 7fj1 by Molmil
Cryo-EM structure of pseudorabies virus C-capsid
分子名称: Capsid vertex component 1, DNA packaging tegument protein UL25, Major capsid protein, ...
著者Zheng, Q, Li, S, Zha, Z, Sun, H.
登録日2021-08-02
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (4.43 Å)
主引用文献Structures of pseudorabies virus capsids.
Nat Commun, 13, 2022
7FFM
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BU of 7ffm by Molmil
Human serum transferrin with five osmium binding sites
分子名称: MALONATE ION, NITRILOTRIACETIC ACID, OSMIUM ION, ...
著者Wang, M, Sun, H.
登録日2021-07-23
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Binding of ruthenium and osmium at non‐iron sites of transferrin accounts for their iron-independent cellular uptake.
J.Inorg.Biochem., 234, 2022
7FJ3
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BU of 7fj3 by Molmil
Cryo-EM structure of PRV A-capid
分子名称: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
著者Zheng, Q, Li, S, Zha, Z, Sun, H.
登録日2021-08-02
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (4.53 Å)
主引用文献Structures of pseudorabies virus capsids.
Nat Commun, 13, 2022
8W5A
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BU of 8w5a by Molmil
Crystal structure of the RING domain of human XIAP
分子名称: CALCIUM ION, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Zhang, Q, Sun, H, Hu, X, Wang, M.
登録日2023-08-25
公開日2023-09-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the RING domain of human XIAP
To Be Published
8W59
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BU of 8w59 by Molmil
Crystal structure of the RING domain of human XIAP treated with arsenic trioxide
分子名称: CALCIUM ION, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Zhang, Q, Sun, H, Hu, X, Wang, M.
登録日2023-08-25
公開日2023-09-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.339 Å)
主引用文献Crystal structure of the RING domain of human XIAP
To Be Published
7FFU
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BU of 7ffu by Molmil
Osmium-bound human serum transferrin
分子名称: FE (III) ION, MALONATE ION, OSMIUM ION, ...
著者Wang, M, Sun, H.
登録日2021-07-23
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Binding of ruthenium and osmium at non‐iron sites of transferrin accounts for their iron-independent cellular uptake.
J.Inorg.Biochem., 234, 2022
2KR7
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BU of 2kr7 by Molmil
solution structure of Helicobacter pylori SlyD
分子名称: FKBP-type peptidyl-prolyl cis-trans isomerase slyD
著者Cheng, T, Li, H, Xia, W, Sze, K, Sun, H.
登録日2009-12-07
公開日2010-12-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献solution structure of Helicobacter pylori SlyD
To be Published
8HTU
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BU of 8htu by Molmil
Cryo-EM structure of PpPSI-L
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Li, M, Pan, X.W, Sun, H.Y.
登録日2022-12-21
公開日2023-08-02
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Structural insights into the assembly and energy transfer of the Lhcb9-dependent photosystem I from moss Physcomitrium patens.
Nat.Plants, 9, 2023
3QYT
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BU of 3qyt by Molmil
Diferric bound human serum transferrin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ...
著者Yang, N, Zhang, H, Wang, M, Hao, Q, Sun, H.
登録日2011-03-03
公開日2012-03-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Iron and bismuth bound human serum transferrin reveals a partially-opened conformation in the N-lobe
Sci Rep, 2, 2012
2KI5
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BU of 2ki5 by Molmil
HERPES SIMPLEX TYPE-1 THYMIDINE KINASE IN COMPLEX WITH THE DRUG ACICLOVIR AT 1.9A RESOLUTION
分子名称: 9-HYROXYETHOXYMETHYLGUANINE, PROTEIN (THYMIDINE KINASE), SULFATE ION
著者Bennett, M.S, Wien, F, Champness, J.N, Batuwangala, T, Rutherford, T, Summers, W.C, Sun, H, Wright, G, Sanderson, M.R.
登録日1999-02-12
公開日1999-03-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir.
FEBS Lett., 443, 1999
5XP6
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BU of 5xp6 by Molmil
native structure of NDM-1 crystallized at pH5.5
分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Ma, G, Lai, J, Sun, H.
登録日2017-06-01
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors
Nat Commun, 9, 2018
5XP9
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BU of 5xp9 by Molmil
Crystal structure of Bismuth bound NDM-1
分子名称: Bismuth(III) ION, GLYCEROL, Metallo-beta-lactamase type 2
著者Zhang, H, Ma, G, Lai, T.P, Sun, H.
登録日2017-06-01
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors
Nat Commun, 9, 2018
6BNS
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BU of 6bns by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide and Compound 25a AKA BICYCLIC HEXAFLUOROISOPROPYL 2 ALCOHOL SULFONAMIDES
分子名称: 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 Chimera
著者DHAR, T.G, GONG, H, WEINSTEIN, D.S, LU, Z, DUAN, J.J.W, STACHURA, S, HAQUE, L, KARMAKAR, A, HEMAGIRI, H, RAUT, D.K, GUPTA, A.K, KHAN, J.A, SACK, J.S, CAMAC, D.M, PUDZIANOWSKI, A.A, WU, D.R, YARDE, M, SHEN, D.R, BOROWSKI, V, XIE, J.H, SUN, H, ARIENZO, C.D, DABROS, M, GALELLA, M.A, WANG, F, WEIGELT, C.A, ZHAO, Q, FOSTER, W, SOMERVILLE, J.E, SALTER-CID, L.M, BARRISH, J.C, CARTER, P.H.
登録日2017-11-17
公開日2017-12-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
4FZX
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BU of 4fzx by Molmil
Exonuclease X in complex with 3' overhanging duplex DNA
分子名称: DNA (5'-D(P*CP*GP*GP*AP*TP*CP*CP*AP*CP*AP*AP*TP*GP*AP*CP*CP*T)-3'), DNA (5'-D(P*GP*TP*CP*AP*TP*TP*GP*TP*GP*GP*AP*TP*CP*CP*GP*AP*G)-3'), Exodeoxyribonuclease 10, ...
著者Wang, T, Sun, H, Cheng, F, Bi, L, Jiang, T.
登録日2012-07-08
公開日2013-07-03
最終更新日2013-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Recognition and processing of double-stranded DNA by ExoX, a distributive 3'-5' exonuclease
Nucleic Acids Res., 41, 2013
4FZZ
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BU of 4fzz by Molmil
Exonuclease X in complex with 5' overhanging duplex DNA
分子名称: DNA (5'-D(*GP*TP*CP*AP*TP*TP*GP*TP*GP*GP*AP*TP*CP*CP*GP*AP*G)-3'), Exodeoxyribonuclease 10, SODIUM ION
著者Wang, T, Sun, H, Cheng, F, Bi, L, Jiang, T.
登録日2012-07-08
公開日2013-07-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Recognition and processing of double-stranded DNA by ExoX, a distributive 3'-5' exonuclease
Nucleic Acids Res., 41, 2013
5Z3W
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BU of 5z3w by Molmil
Malate dehydrogenase binds silver at C113
分子名称: Malate dehydrogenase, SILVER ION
著者Wang, H, Wang, M, Sun, H.
登録日2018-01-09
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm
Chem Sci, 2020
5Y6K
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BU of 5y6k by Molmil
Human serum trnasferrin bound to a fluorescent probe
分子名称: (2S)-6-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-[bis(2-hydroxy-2-oxoethyl)amino]hexanoic acid, FE (III) ION, MALONATE ION, ...
著者Jiang, N, Cheng, T, Wang, M, Chan, G.C.F, Jin, L, Li, H, Sun, H.
登録日2017-08-12
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Tracking iron-associated proteomes in pathogens by a fluorescence approach.
Metallomics, 10, 2018
5H52
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BU of 5h52 by Molmil
Structure of Titanium-bound human serum transferrin
分子名称: CITRIC ACID, MALONATE ION, Serotransferrin, ...
著者Curtin, J.P, Wang, M, Sun, H.
登録日2016-11-04
公開日2017-11-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The role of citrate, lactate and transferrin in determining titanium release from surgical devices into human serum.
J. Biol. Inorg. Chem., 23, 2018
4FZY
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BU of 4fzy by Molmil
Exonuclease X in complex with 12bp blunt-ended dsDNA
分子名称: DNA (5'-D(*TP*GP*TP*AP*GP*AP*TP*TP*CP*GP*AP*G)-3'), DNA (5'-D(P*CP*TP*CP*GP*AP*AP*TP*CP*TP*AP*CP*A)-3'), Exodeoxyribonuclease 10, ...
著者Wang, T, Sun, H, Cheng, F, Bi, L, Jiang, T.
登録日2012-07-08
公開日2013-07-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Recognition and processing of double-stranded DNA by ExoX, a distributive 3'-5' exonuclease
Nucleic Acids Res., 41, 2013

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