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PDB: 45955 件

7LO6
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BU of 7lo6 by Molmil
Structure of CD4 mimetic BNM-III-170 in complex with BG505 SOSIP.664 HIV-1 Env trimer and 17b Fab
分子名称: 17b Fab Heavy Chain, 17b Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Jette, C.A, Bjorkman, P.J.
登録日2021-02-09
公開日2021-04-14
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structures of HIV-1 trimer bound to CD4-mimetics BNM-III-170 and M48U1 adopt a CD4-bound open conformation.
Nat Commun, 12, 2021
4HFH
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BU of 4hfh by Molmil
The GLIC pentameric Ligand-Gated Ion Channel (wild-type) complexed to bromoform
分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Sauguet, L, Howard, R.J, Malherbe, L, Lee, U.S, Corringer, P.J, Harris, R.A, Delarue, M.
登録日2012-10-05
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel.
Nat Commun, 4, 2013
5IN7
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BU of 5in7 by Molmil
X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN
分子名称: Neuronal migration protein doublecortin
著者Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R.
登録日2016-03-07
公開日2016-03-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
5QJG
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BU of 5qjg by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z44567722
分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
著者Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F.
登録日2018-10-31
公開日2018-12-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QJV
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PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z281802060
分子名称: 1,2-ETHANEDIOL, 4-methoxy-N-methylpyrimidin-2-amine, ADP-sugar pyrophosphatase, ...
著者Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F.
登録日2018-10-31
公開日2018-12-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
1NU4
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BU of 1nu4 by Molmil
U1A RNA binding domain at 1.8 angstrom resolution reveals a pre-organized C-terminal helix
分子名称: MAGNESIUM ION, MALONIC ACID, U1A RNA binding domain
著者Rupert, P.B, Xiao, H, Ferre-D'Amare, A.R.
登録日2003-01-30
公開日2003-02-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献U1A RNA-binding domain at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
5QKB
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BU of 5qkb by Molmil
Ground-state model of NUDT5 and corresponding apo datasets for PanDDA analysis
分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
著者Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F.
登録日2018-12-07
公開日2020-04-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
7BAJ
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BU of 7baj by Molmil
Crystal structure of ligand-free SARS-CoV-2 main protease
分子名称: Main Protease
著者Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
登録日2020-12-15
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
7X8C
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BU of 7x8c by Molmil
Crystal structure of a KTSC family protein from Euryarchaeon Methanolobus vulcani
分子名称: KTSC domain-containing protein, SODIUM ION
著者Zhang, Z.F, Zhu, K.L, Chen, Y.Y, Cao, P, Gong, Y.
登録日2022-03-12
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Biochemical and structural characterization of a KTSC family single-stranded DNA-binding protein from Euryarchaea.
Int.J.Biol.Macromol., 216, 2022
5IOL
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BU of 5iol by Molmil
Crystal structure of Nucleoside Diphosphate Kinase from Schistosoma mansoni
分子名称: Nucleoside diphosphate kinase
著者Torini, J.R.S, Romanello, L, Bird, L.E, Nettleship, J.E, Owens, R.J, Aller, P, DeMarco, R, Brandao-Neto, J, Pereira, H.M.
登録日2016-03-08
公開日2017-03-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.741 Å)
主引用文献Characterization of a Schistosoma mansoni NDPK expressed in sexual and digestive organs.
Mol.Biochem.Parasitol., 2019
7BAK
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BU of 7bak by Molmil
Crystal structure of SARS-CoV-2 main protease treated with ebselen
分子名称: Main Protease, SELENIUM ATOM
著者Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
登録日2020-12-15
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
7BAL
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BU of 7bal by Molmil
Crystal structure of SARS-CoV-2 main protease treated with ebselen derivative of MR6-31-2
分子名称: Main Protease, SELENIUM ATOM
著者Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
登録日2020-12-15
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
1R3W
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BU of 1r3w by Molmil
Uroporphyrinogen Decarboxylase Y164F mutant in complex with coproporphyrinogen-III
分子名称: COPROPORPHYRINOGEN III, Uroporphyrinogen Decarboxylase
著者Phillips, J.D, Whitby, F.G, Kushner, J.P, Hill, C.P.
登録日2003-10-03
公開日2003-12-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for tetrapyrrole coordination by uroporphyrinogen decarboxylase
Embo J., 22, 2003
1ZEZ
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BU of 1zez by Molmil
ACC Holliday Junction
分子名称: 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', CALCIUM ION
著者Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
登録日2005-04-19
公開日2005-05-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1ZF7
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BU of 1zf7 by Molmil
GAC Duplex B-DNA
分子名称: 5'-D(*CP*CP*GP*TP*CP*GP*AP*CP*GP*G)-3', CALCIUM ION, SODIUM ION
著者Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
登録日2005-04-20
公開日2005-05-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2GC2
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BU of 2gc2 by Molmil
The crystal structure of phosphoglucose isomerase from Pyrococcus furiosus in complex with Fructose 6-phosphate and zinc
分子名称: FRUCTOSE -6-PHOSPHATE, Glucose-6-phosphate isomerase, ZINC ION
著者Berrisford, J.M, Rice, D.W, Baker, P.J.
登録日2006-03-13
公開日2006-04-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Evidence Supporting a cis-enediol-based Mechanism for Pyrococcus furiosus Phosphoglucose Isomerase
J.Mol.Biol., 358, 2006
2P9J
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BU of 2p9j by Molmil
Crystal structure of AQ2171 from Aquifex aeolicus
分子名称: Hypothetical protein AQ2171
著者Yang, H, Chen, L, Agari, Y, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-03-26
公開日2007-05-29
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of AQ2171 from Aquifex aeolicus
To be Published
4GQT
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BU of 4gqt by Molmil
N-terminal domain of C. elegans Hsp90
分子名称: ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 90, ZINC ION
著者Osipiuk, J, Chhor, G, Gu, M, Van Oosten-Hawle, P, Morimoto, R.I, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-08-23
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献N-terminal domain of C. elegans Hsp90
To be Published
1NSB
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BU of 1nsb by Molmil
THE 2.2 ANGSTROMS RESOLUTION CRYSTAL STRUCTURE OF INFLUENZA B NEURAMINIDASE AND ITS COMPLEX WITH SIALIC ACID
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE
著者Burmeister, W.P, Ruigrok, R.W.H, Cusack, S.
登録日1991-08-08
公開日1993-10-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The 2.2 A resolution crystal structure of influenza B neuraminidase and its complex with sialic acid.
EMBO J., 11, 1992
3HXY
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BU of 3hxy by Molmil
Crystal Structure of catalytic fragment of E. coli AlaRS in complex with AMPPCP, Ala-AMP and PCP
分子名称: 2-HYDROXYETHYL DISULFIDE, 5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine, Alanyl-tRNA synthetase, ...
著者Guo, M, Yang, X.-L, Schimmel, P.
登録日2009-06-22
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
4S0V
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BU of 4s0v by Molmil
Crystal structure of the human OX2 orexin receptor bound to the insomnia drug Suvorexant
分子名称: Human Orexin receptor type 2 fusion protein to P. abysii Glycogen Synthase, OLEIC ACID, [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
著者Yin, J, Kolb, P, Mobarec, J.C, Rosenbaum, D.M.
登録日2015-01-06
公開日2015-01-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the human OX2 orexin receptor bound to the insomnia drug suvorexant.
Nature, 519, 2015
2OSG
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BU of 2osg by Molmil
Solution Structure and Binding Property of the Domain-swapped Dimer of ZO2PDZ2
分子名称: Tight junction protein ZO-2
著者Wu, J.W, Yang, Y.S, Zhang, J.H, Ji, P, Wu, J.H, Shi, Y.Y.
登録日2007-02-05
公開日2007-09-25
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Domain-swapped Dimerization of the Second PDZ Domain of ZO2 May Provide a Structural Basis for the Polymerization of Claudins
J.Biol.Chem., 282, 2007
1R3Q
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BU of 1r3q by Molmil
Uroporphyrinogen Decarboxylase in complex with coproporphyrinogen-I
分子名称: CARBON DIOXIDE, COPROPORPHYRINOGEN I, Uroporphyrinogen Decarboxylase
著者Phillips, J.D, Whitby, F.G, Kushner, J.P, Hill, C.P.
登録日2003-10-03
公開日2003-12-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for tetrapyrrole coordination by uroporphyrinogen decarboxylase
Embo J., 22, 2003
7X1R
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BU of 7x1r by Molmil
Cryo-EM structure of human thioredoxin reductase bound by Au
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, Thioredoxin reductase 1, ...
著者He, Z.S, Cao, P, Cao, S.H, He, B, Jiang, H.D, Gong, Y, Gao, X.Y.
登録日2022-02-24
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Au4 cluster inhibits human thioredoxin reductase activity via specifically binding of Au to Cys189
Nano Today, 47, 2022
5QJ9
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BU of 5qj9 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z768399682
分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
著者Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F.
登録日2018-11-12
公開日2018-12-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published

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