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7M0A
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BU of 7m0a by Molmil
Incomplete in crystallo incorporation by DNA Polymerase Lambda bound to blunt-ended DSB substrate and incoming dTTP
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*CP*AP*GP*TP*GP*CP*T)-3'), ...
Authors:Kaminski, A.M, Bebenek, K, Pedersen, L.C, Kunkel, T.A.
Deposit date:2021-03-10
Release date:2022-03-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Analysis of diverse double-strand break synapsis with Pol lambda reveals basis for unique substrate specificity in nonhomologous end-joining.
Nat Commun, 13, 2022
7DET
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BU of 7det by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
Authors:Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y.
Deposit date:2020-11-05
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
2JXH
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BU of 2jxh by Molmil
Solution Structure of DNA binding domain of Proline Utilization A (PutA) for Psuedomonas putida
Descriptor: Proline dehydrogenase
Authors:Halouska, S, Zhou, Y, Becker, D, Powers, R.
Deposit date:2007-11-19
Release date:2008-10-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the Pseudomonas putida protein PpPutA45 and its DNA complex
Proteins, 75, 2008
3KA8
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BU of 3ka8 by Molmil
Frog M-ferritin, EQH mutant, with cobalt
Descriptor: CHLORIDE ION, COBALT (II) ION, Ferritin, ...
Authors:Tosha, T, Ng, H.L, Theil, E, Alber, T, Bhattasali, O.
Deposit date:2009-10-19
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Moving Metal Ions through Ferritin-Protein Nanocages from Three-Fold Pores to Catalytic Sites.
J.Am.Chem.Soc., 132, 2010
3AOA
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BU of 3aoa by Molmil
Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket
Descriptor: Acriflavine resistance protein B
Authors:Nakashima, R, Sakurai, K, Yamaguchi, A.
Deposit date:2010-09-23
Release date:2011-11-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket
Nature, 480, 2011
2P1W
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BU of 2p1w by Molmil
structure of the phosphothreonine lyase SpvC, the effector protein from Salmonella
Descriptor: 27.5 kDa virulence protein
Authors:Zhu, Y, Wang, D.C, Shao, F.
Deposit date:2007-03-06
Release date:2007-12-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the enzymatic mechanism of the pathogenic MAPK phosphothreonine lyase.
Mol.Cell, 28, 2007
7D4Q
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BU of 7d4q by Molmil
Structure of human TRPC5 in complex with HC-070
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 8-(3-chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione, CALCIUM ION, ...
Authors:Chen, L, Song, K, Wei, M, Guo, W.
Deposit date:2020-09-24
Release date:2021-03-31
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:Structural basis for human TRPC5 channel inhibition by two distinct inhibitors.
Elife, 10, 2021
7QZU
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BU of 7qzu by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 47
Descriptor: (2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
Authors:Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
Deposit date:2022-01-31
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.964 Å)
Cite:Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
7LZ5
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BU of 7lz5 by Molmil
Crystal structure of oncogenic KRAS Q61E GMPPCP-bound
Descriptor: Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Authors:Carey, L.M, Campbell, S.L.
Deposit date:2021-03-09
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of oncogenic KRAS Q61E GMPPCP-bound
To Be Published
7DEU
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BU of 7deu by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
Authors:Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y.
Deposit date:2020-11-05
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
3KA3
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BU of 3ka3 by Molmil
Frog M-ferritin with magnesium
Descriptor: CHLORIDE ION, Ferritin, middle subunit, ...
Authors:Tosha, T, Ng, H.L, Theil, E, Alber, T, Bhattasali, O.
Deposit date:2009-10-18
Release date:2010-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Moving Metal Ions through Ferritin-Protein Nanocages from Three-Fold Pores to Catalytic Sites.
J.Am.Chem.Soc., 132, 2010
2PAH
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BU of 2pah by Molmil
TETRAMERIC HUMAN PHENYLALANINE HYDROXYLASE
Descriptor: FE (III) ION, PROTEIN (PHENYLALANINE HYDROXYLASE)
Authors:Stevens, R.C, Fusetti, F, Erlandsen, H.
Deposit date:1998-05-26
Release date:1999-10-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of tetrameric human phenylalanine hydroxylase and its implications for phenylketonuria.
J.Biol.Chem., 273, 1998
7B9A
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BU of 7b9a by Molmil
CooS-V with Xe-soaked
Descriptor: 3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane, BROMIDE ION, Carbon monoxide dehydrogenase, ...
Authors:Jeoung, J.H, Dobbek, H.
Deposit date:2020-12-14
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Morphing [4Fe-3S-nO]-Cluster within a Carbon Monoxide Dehydrogenase Scaffold.
Angew.Chem.Int.Ed.Engl., 61, 2022
5M26
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BU of 5m26 by Molmil
Crystal structure of hydroquinone 1,2-dioxygenase from Sphingomonas sp. TTNP3 in complex with methylhydroquinone
Descriptor: 2-methylbenzene-1,4-diol, FE (III) ION, Hydroquinone dioxygenase large subunit, ...
Authors:Ferraroni, M, Da Vela, S, Scozzafava, A, Kolvenbach, B, Corvini, P.F.X.
Deposit date:2016-10-12
Release date:2017-09-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structures of native hydroquinone 1,2-dioxygenase from Sphingomonas sp. TTNP3 and of substrate and inhibitor complexes.
Biochim. Biophys. Acta, 1865, 2017
7UAP
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BU of 7uap by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with the neutralizing antibody Fab fragment, C1520
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C1520 Fab Heavy Chain, ...
Authors:Barnes, C.O.
Deposit date:2022-03-13
Release date:2022-04-27
Last modified:2022-06-22
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Analysis of memory B cells identifies conserved neutralizing epitopes on the N-terminal domain of variant SARS-Cov-2 spike proteins.
Immunity, 55, 2022
5M2W
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BU of 5m2w by Molmil
Structure of nanobody nb18 raised against TssK from E. coli T6SS
Descriptor: Llama nanobody nb8 against TssK from T6SS, SULFATE ION
Authors:Cambillau, C, Nguyen, V.S, Spinelli, S, Desmyter, A.
Deposit date:2016-10-13
Release date:2017-06-28
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Type VI secretion TssK baseplate protein exhibits structural similarity with phage receptor-binding proteins and evolved to bind the membrane complex.
Nat Microbiol, 2, 2017
7BAQ
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BU of 7baq by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with a chiral ligand (S- and E-configuration) and PKI (5-24)
Descriptor: (S,E)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-12-16
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of the cAMP-dependent protein kinase A cocrystallized with a chiral ligand (S- and E-configuration) and PKI (5-24)
To Be Published
3J34
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BU of 3j34 by Molmil
Structure of HIV-1 Capsid Protein by Cryo-EM
Descriptor: capsid protein
Authors:Zhao, G, Perilla, J.R, Yufenyuy, E, Meng, X, Chen, B, Ning, J, Ahn, J, Gronenborn, A.M, Schulten, K, Aiken, C, Zhang, P.
Deposit date:2013-02-23
Release date:2013-05-29
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (8.6 Å)
Cite:Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics.
Nature, 497, 2013
3ASS
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BU of 3ass by Molmil
Crystal structure of P domain from Norovirus Funabashi258 stain in the complex with Lewis-b
Descriptor: Capsid protein, P-NITROPHENOL, SODIUM ION, ...
Authors:Kubota, T, Kumagai, A, Itoh, H, Furukawa, S, Narimatsu, H, Wakita, T, Ishii, K, Takeda, N, Someya, Y, Shirato, H.
Deposit date:2010-12-17
Release date:2012-01-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the recognition of Lewis antigens by genogroup I norovirus
J.Virol., 86, 2012
2OAG
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BU of 2oag by Molmil
Crystal structure of human dipeptidyl peptidase IV (DPPIV) with pyrrolidine-constrained phenethylamine 29g
Descriptor: (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE, Dipeptidyl peptidase 4
Authors:Backes, B.J, Longenecker, K.L, Hamilton, G.L, Stewart, K.D, Lai, C, Kopecka, H.
Deposit date:2006-12-15
Release date:2007-09-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit.
Bioorg.Med.Chem.Lett., 17, 2007
5M38
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BU of 5m38 by Molmil
Structure of the TagL peptidoglycan binding domain from EAEC T6SS
Descriptor: OmpA family protein
Authors:Cambillau, C, Nguyen, V.S, Spinelli, S, Cascales, E.
Deposit date:2016-10-14
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the TagL peptidoglycan binding domain from EAEC T6SS
To Be Published
7UAR
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BU of 7uar by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with the neutralizing antibody Fab fragment, C1717
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C1717 Fab Heavy Chain, ...
Authors:Barnes, C.O.
Deposit date:2022-03-13
Release date:2022-04-27
Last modified:2022-06-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Analysis of memory B cells identifies conserved neutralizing epitopes on the N-terminal domain of variant SARS-Cov-2 spike proteins.
Immunity, 55, 2022
7DL9
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BU of 7dl9 by Molmil
Crystal structure of nucleoside transporter NupG
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Nucleoside permease NupG
Authors:Wang, C, Xiao, Q.J, Deng, D.
Deposit date:2020-11-26
Release date:2021-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular basis for substrate recognition by the bacterial nucleoside transporter NupG.
J.Biol.Chem., 296, 2021
7UAQ
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BU of 7uaq by Molmil
Structure of the SARS-CoV-2 NTD in complex with C1520, local refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C1520 Fab Heavy Chain, ...
Authors:Barnes, C.O.
Deposit date:2022-03-13
Release date:2022-04-27
Last modified:2022-06-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Analysis of memory B cells identifies conserved neutralizing epitopes on the N-terminal domain of variant SARS-Cov-2 spike proteins.
Immunity, 55, 2022
7DJ1
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BU of 7dj1 by Molmil
Crystal structure of the G26C mutant of LeuT
Descriptor: LEUCINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION
Authors:Fan, J, Xiao, Y, Sun, Z, Zhou, X.
Deposit date:2020-11-19
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.528 Å)
Cite:Crystal structures of LeuT reveal conformational dynamics in the outward-facing states.
J.Biol.Chem., 296, 2021

224004

数据于2024-08-21公开中

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