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7YV8
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BU of 7yv8 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with golden hamster ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike glycoprotein, ...
Authors:Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F.
Deposit date:2022-08-18
Release date:2023-07-19
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
7YVU
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BU of 7yvu by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with mouse ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F.
Deposit date:2022-08-19
Release date:2023-07-19
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
5FGG
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BU of 5fgg by Molmil
Yeast 20S proteasome beta5-L(-49S)_D17N double mutant in complex with Carfilzomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-12-20
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5FOG
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BU of 5fog by Molmil
Crystal structure of hte Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with a post-transfer editing analogue of norvaline (Nv2AA)
Descriptor: 1,2-ETHANEDIOL, 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE, LEUCYL-TRNA SYNTHETASE, ...
Authors:Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S.
Deposit date:2015-11-20
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FOL
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BU of 5fol by Molmil
Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with a post-transfer editing analogue of isoeucine (Ile2AA)
Descriptor: 2'-(L-ISOLEUCYL)AMINO-2'-DEOXYADENOSINE, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION
Authors:Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S.
Deposit date:2015-11-24
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FGD
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BU of 5fgd by Molmil
Yeast 20S proteasome beta5-H(-2)L-T1A double mutant in complex with Carfilzomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-12-20
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5FOM
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BU of 5fom by Molmil
Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with the adduct AMP-AN6426
Descriptor: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION
Authors:Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S.
Deposit date:2015-11-24
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FGI
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BU of 5fgi by Molmil
Yeast 20S proteasome beta1-T1A beta2-T1A double mutant in complex with Carfilzomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-12-20
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5FGH
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BU of 5fgh by Molmil
Yeast 20S proteasome beta5-K33A mutant (propeptide expressed in trans) in complex with MG132
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-12-20
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5XGH
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BU of 5xgh by Molmil
Crystal structure of PI3K complex with an inhibitor
Descriptor: 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Song, K, Yang, X, Zhao, Y, Jian, Z.
Deposit date:2017-04-13
Release date:2018-04-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:New Insights into PI3K Inhibitor Design using X-ray Structures of PI3K alpha Complexed with a Potent Lead Compound.
Sci Rep, 7, 2017
2AFV
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BU of 2afv by Molmil
The Crystal Structure of Putative Precorrin Isomerase CbiC in Cobalamin Biosynthesis
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, HEXAETHYLENE GLYCOL, ...
Authors:Xue, Y, Wei, Z.
Deposit date:2005-07-26
Release date:2006-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:The crystal structure of putative precorrin isomerase CbiC in cobalamin biosynthesis
J.Struct.Biol., 153, 2006
6VQL
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BU of 6vql by Molmil
CRYSTAL STRUCTURE OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 (IRAK4-WT) COMPLEX WITH A NICOTINAMIDE INHIBITOR
Descriptor: 6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
Authors:Sack, J.S.
Deposit date:2020-02-05
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.069 Å)
Cite:Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis.
Acs Med.Chem.Lett., 11, 2020
6IHB
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BU of 6ihb by Molmil
Adeno-Associated Virus 2 in complex with AAVR
Descriptor: Capsid protein VP1, Dyslexia-associated protein KIAA0319-like protein
Authors:Lou, Z.Y, Zhang, R.
Deposit date:2018-09-29
Release date:2019-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Adeno-associated virus 2 bound to its cellular receptor AAVR.
Nat Microbiol, 4, 2019
6IH9
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BU of 6ih9 by Molmil
Adeno-Associated Virus 2 at 2.8 ang
Descriptor: Capsid protein VP1
Authors:Lou, Z.Y, Zhang, R.
Deposit date:2018-09-29
Release date:2019-07-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Adeno-associated virus 2 bound to its cellular receptor AAVR.
Nat Microbiol, 4, 2019
8YMJ
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BU of 8ymj by Molmil
Cryo-EM structure of Hepatitis B virus surface antigen subviral particle with D2 symmetry
Descriptor: Isoform S of Large envelope protein
Authors:Wang, T, Cao, L, Mu, A, Wang, Q, Rao, Z.H.
Deposit date:2024-03-09
Release date:2024-09-18
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Inherent symmetry and flexibility in hepatitis B virus subviral particles
Science, 2024
8YMK
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BU of 8ymk by Molmil
Localized reconstruction of Hepatitis B virus surface antigen dimer in the subviral particle with D2 symmetry from dataset A0
Descriptor: Isoform S of Large envelope protein
Authors:Wang, T, Cao, L, Mu, A, Wang, Q, Rao, Z.H.
Deposit date:2024-03-09
Release date:2024-09-18
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Inherent symmetry and flexibility in hepatitis B virus subviral particles
Science, 2024
4LFI
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BU of 4lfi by Molmil
Crystal structure of scCK2 alpha in complex with GMPPNP
Descriptor: Casein kinase II subunit alpha, GLYCEROL, MANGANESE (II) ION, ...
Authors:Liu, H.
Deposit date:2013-06-27
Release date:2014-03-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway.
Acta Crystallogr.,Sect.D, 70, 2014
7AHU
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BU of 7ahu by Molmil
Anti-FX Fab of mim8 in complex with human FXa
Descriptor: Anti-FX Fab of mim8 heavy chain, Anti-FX Fab of mim8 light chain, CALCIUM ION, ...
Authors:Johansson, E.
Deposit date:2020-09-25
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A factor VIIIa-mimetic bispecific antibody, Mim8, ameliorates bleeding upon severe vascular challenge in hemophilia A mice.
Blood, 138, 2021
4XS3
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BU of 4xs3 by Molmil
Crystal structure of a metabolic reductase with (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one
Descriptor: (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y.
Deposit date:2015-01-21
Release date:2016-07-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.291 Å)
Cite:Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
4XRX
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BU of 4xrx by Molmil
Crystal structure of a metabolic reductase with (E)-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one
Descriptor: 5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y.
Deposit date:2015-01-21
Release date:2015-12-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
4XIV
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BU of 4xiv by Molmil
Kinase and Dimerization (P3P4) of the Thermotoga maritima CheA kinase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chemotaxis protein CheA, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Greenswag, A.R, Crane, B.R.
Deposit date:2015-01-07
Release date:2015-11-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Conformational Transitions that Enable Histidine Kinase Autophosphorylation and Receptor Array Integration.
J.Mol.Biol., 427, 2015
7YW3
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BU of 7yw3 by Molmil
Crystal structure of tRNA 2'-phosphotransferase from Homo sapiens
Descriptor: 1,2-ETHANEDIOL, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate, tRNA 2'-phosphotransferase 1
Authors:Yang, X.Y, Liu, X.H.
Deposit date:2022-08-21
Release date:2023-07-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation.
Nucleic Acids Res., 51, 2023
7YW4
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BU of 7yw4 by Molmil
Crystal structure of tRNA 2'-phosphotransferase from Saccharomyces cerevisiae
Descriptor: D(-)-TARTARIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, tRNA 2'-phosphotransferase
Authors:Yang, X.Y, Liu, X.H.
Deposit date:2022-08-21
Release date:2023-07-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation.
Nucleic Acids Res., 51, 2023
7YW2
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BU of 7yw2 by Molmil
Crystal structure of tRNA 2'-phosphotransferase from Mus musculus
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, GLYCINE, ...
Authors:Yang, X.Y, Liu, X.H.
Deposit date:2022-08-21
Release date:2023-07-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation.
Nucleic Acids Res., 51, 2023
6PEW
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BU of 6pew by Molmil
CryoEM Plasmodium falciparum glutamine synthetase
Descriptor: Glutamine synthetase
Authors:Ho, C.M, Lai, M, Zhou, Z.H.
Deposit date:2019-06-21
Release date:2019-12-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Bottom-up structural proteomics: cryoEM of protein complexes enriched from the cellular milieu.
Nat.Methods, 17, 2020

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數據於2024-09-18公開中

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