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PDB: 45955 results

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
Descriptor: 17b Fab Heavy Chain, 17b Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Jette, C.A, Bjorkman, P.J.
Deposit date:2021-02-09
Release date:2021-04-14
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Sauguet, L, Howard, R.J, Malherbe, L, Lee, U.S, Corringer, P.J, Harris, R.A, Delarue, M.
Deposit date:2012-10-05
Release date:2013-04-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
Descriptor: Neuronal migration protein doublecortin
Authors: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.
Deposit date:2016-03-07
Release date:2016-03-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
Authors: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.
Deposit date:2018-10-31
Release date:2018-12-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QJV
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BU of 5qjv by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z281802060
Descriptor: 1,2-ETHANEDIOL, 4-methoxy-N-methylpyrimidin-2-amine, ADP-sugar pyrophosphatase, ...
Authors: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.
Deposit date:2018-10-31
Release date:2018-12-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite: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
Descriptor: MAGNESIUM ION, MALONIC ACID, U1A RNA binding domain
Authors:Rupert, P.B, Xiao, H, Ferre-D'Amare, A.R.
Deposit date:2003-01-30
Release date:2003-02-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
Authors: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.
Deposit date:2018-12-07
Release date:2020-04-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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
Descriptor: Main Protease
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: KTSC domain-containing protein, SODIUM ION
Authors:Zhang, Z.F, Zhu, K.L, Chen, Y.Y, Cao, P, Gong, Y.
Deposit date:2022-03-12
Release date:2022-08-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.73 Å)
Cite: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
Descriptor: Nucleoside diphosphate kinase
Authors: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.
Deposit date:2016-03-08
Release date:2017-03-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.741 Å)
Cite: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
Descriptor: Main Protease, SELENIUM ATOM
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: Main Protease, SELENIUM ATOM
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: COPROPORPHYRINOGEN III, Uroporphyrinogen Decarboxylase
Authors:Phillips, J.D, Whitby, F.G, Kushner, J.P, Hill, C.P.
Deposit date:2003-10-03
Release date:2003-12-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', CALCIUM ION
Authors:Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
Deposit date:2005-04-19
Release date:2005-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 5'-D(*CP*CP*GP*TP*CP*GP*AP*CP*GP*G)-3', CALCIUM ION, SODIUM ION
Authors:Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
Deposit date:2005-04-20
Release date:2005-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.05 Å)
Cite: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
Descriptor: FRUCTOSE -6-PHOSPHATE, Glucose-6-phosphate isomerase, ZINC ION
Authors:Berrisford, J.M, Rice, D.W, Baker, P.J.
Deposit date:2006-03-13
Release date:2006-04-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Hypothetical protein AQ2171
Authors: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)
Deposit date:2007-03-26
Release date:2007-05-29
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 90, ZINC ION
Authors:Osipiuk, J, Chhor, G, Gu, M, Van Oosten-Hawle, P, Morimoto, R.I, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-08-23
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE
Authors:Burmeister, W.P, Ruigrok, R.W.H, Cusack, S.
Deposit date:1991-08-08
Release date:1993-10-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 2-HYDROXYETHYL DISULFIDE, 5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine, Alanyl-tRNA synthetase, ...
Authors:Guo, M, Yang, X.-L, Schimmel, P.
Deposit date:2009-06-22
Release date:2009-12-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.27 Å)
Cite: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
Descriptor: 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
Authors:Yin, J, Kolb, P, Mobarec, J.C, Rosenbaum, D.M.
Deposit date:2015-01-06
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Tight junction protein ZO-2
Authors:Wu, J.W, Yang, Y.S, Zhang, J.H, Ji, P, Wu, J.H, Shi, Y.Y.
Deposit date:2007-02-05
Release date:2007-09-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite: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
Descriptor: CARBON DIOXIDE, COPROPORPHYRINOGEN I, Uroporphyrinogen Decarboxylase
Authors:Phillips, J.D, Whitby, F.G, Kushner, J.P, Hill, C.P.
Deposit date:2003-10-03
Release date:2003-12-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, Thioredoxin reductase 1, ...
Authors:He, Z.S, Cao, P, Cao, S.H, He, B, Jiang, H.D, Gong, Y, Gao, X.Y.
Deposit date:2022-02-24
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
Authors: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.
Deposit date:2018-11-12
Release date:2018-12-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published

224004

數據於2024-08-21公開中

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