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PDB: 45712 results

4ICY
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BU of 4icy by Molmil
Tracing the Evolution of Angucyclinone Monooxygenases: Structural Determinants for C-12b Hydroxylation and Substrate Inhibition in PgaE
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kallio, P, Patrikainen, P, Belogurov, G, Mantsala, P, Yang, K, Niemi, J, Metsa-Ketela, M.
Deposit date:2012-12-11
Release date:2013-06-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Tracing the Evolution of Angucyclinone Monooxygenases: Structural Determinants for C-12b Hydroxylation and Substrate Inhibition in PgaE.
Biochemistry, 52, 2013
1WRP
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BU of 1wrp by Molmil
FLEXIBILITY OF THE DNA-BINDING DOMAINS OF TRP REPRESSOR
Descriptor: TRP REPRESSOR, TRYPTOPHAN
Authors:Schewitz, R.W, Otwinowski, Z, Lawson, C.L, Joachimiak, A, Sigler, P.B.
Deposit date:1987-12-01
Release date:1988-04-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Flexibility of the DNA-binding domains of trp repressor.
Proteins, 3, 1988
4XTK
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BU of 4xtk by Molmil
Structure of TM1797, a CAS1 protein from Thermotoga maritima
Descriptor: CRISPR-associated endonuclease Cas1
Authors:Petit, P, Beloglazova, N, Skarina, T, Chang, C, Edwards, A, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-01-23
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure and nuclease activity of tm1797, a cas1 protein from thermotoga maritima
To Be Published
7KL9
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BU of 7kl9 by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with the ACE2 protein decoy, CTC-445.2 (State 4)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CTC-445.2 inhibitor, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2020-10-29
Release date:2020-11-11
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:De novo design of potent and resilient hACE2 decoys to neutralize SARS-CoV-2.
Science, 370, 2020
4XVT
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BU of 4xvt by Molmil
Crystal structure of HIV-1 93TH057 coreE gp120 with antibody 45-VRC01.H01+07.O-863513/45-VRC01.L01+07.O-110653 (VRC07_1995)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 45-VRC01.H01+07.O-863513/45-VRC01.L01+07.O-110653 (VRC07_1995) Light chain, ENVELOPE GLYCOPROTEIN GP120 OF HIV-1 CLADE A/E, ...
Authors:Joyce, M.G, Mascola, J.R, Kwong, P.D.
Deposit date:2015-01-28
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Cell, 161, 2015
8RV2
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BU of 8rv2 by Molmil
Structure of the formin INF2 bound to the barbed end of F-actin.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Oosterheert, W, Boiero Sanders, M, Funk, J, Prumbaum, D, Raunser, S, Bieling, P.
Deposit date:2024-01-31
Release date:2024-04-10
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Molecular mechanism of actin filament elongation by formins.
Science, 384, 2024
5YG2
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BU of 5yg2 by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS705
Descriptor: 3-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
Deposit date:2017-09-22
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Potent Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT) Featuring a Spirocyclic Scaffold
ChemMedChem, 13, 2018
2JD7
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BU of 2jd7 by Molmil
Crystal Structure of the Fe-soaked Ferritin from the Hyperthermophilic Archaeal Anaerobe Pyrococcus furiosus
Descriptor: FE (III) ION, FERRITIN HOMOLOG, SULFATE ION
Authors:Tatur, J, Hagen, W.R, Matias, P.M.
Deposit date:2007-01-05
Release date:2007-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Ferritin from the Hyperthermophilic Archaeal Anaerobe Pyrococcus Furiosus
J.Biol.Inorg.Chem., 12, 2007
6JAZ
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BU of 6jaz by Molmil
Crystal structure of ABC transporter alpha-glycoside-binding mutant protein W287F in complex with trehalose
Descriptor: 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Gogoi, P.
Deposit date:2019-01-25
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter.
Febs J., 287, 2020
7Q6B
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BU of 7q6b by Molmil
mRubyFT/S148I, a mutant of blue-to-red fluorescent timer in its blue state
Descriptor: mRubyFT S148I, a mutant of blue-to-red fluorescent timer
Authors:Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Dorovatovskii, P.V, Khrenova, M.G, Subach, O.M, Popov, V.O, Subach, F.M.
Deposit date:2021-11-06
Release date:2023-04-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Combined Structural and Computational Study of the mRubyFT Fluorescent Timer Locked in Its Blue Form.
Int J Mol Sci, 24, 2023
6MTS
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BU of 6mts by Molmil
Crystal structure of VRC43.03 Fab
Descriptor: Antibody VRC43.03 Fab heavy chain, Antibody VRC43.03 Fab light chain
Authors:Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Doria-Rose, N.A, Kwong, P.D.
Deposit date:2018-10-21
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.437 Å)
Cite:Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
3FPS
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BU of 3fps by Molmil
The Structure of Sarcoplasmic Reticulum Ca2+-ATPase Bound To Cyclopiazonic and ADP
Descriptor: (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Moncoq, K, Morth, J.P, Bublitz, M, Laursen, M, Nissen, P, Young, H.S.
Deposit date:2009-01-06
Release date:2009-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Cyclopiazonic acid is complexed to a divalent metal ion when bound to the sarcoplasmic reticulum Ca2+-ATPase.
J.Biol.Chem., 284, 2009
7WRO
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BU of 7wro by Molmil
Local structure of BD55-3372 and delta spike
Descriptor: 3372H, 3372L, Spike protein S1
Authors:Liu, P.L.
Deposit date:2022-01-27
Release date:2022-06-22
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7PXO
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BU of 7pxo by Molmil
Structure of the Diels Alderase enzyme AbyU, from Micromonospora maris, co-crystallised with a non transformable substrate analogue
Descriptor: (2~{S},4~{S})-1-(4-methoxy-5-methyl-2-oxidanylidene-3~{H}-furan-3-yl)-2,4-dimethyl-dodecane-1,5-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, YD repeat-containing protein
Authors:Back, C.R, Race, P.R.
Deposit date:2021-10-08
Release date:2022-11-16
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Delineation of the Complete Reaction Cycle of a Natural Diels-Alderase
To Be Published
7KOV
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BU of 7kov by Molmil
Crystal structure of Azotobacter vinelandii 3-mercaptopropionic acid dioxygenase in complex with thiocyanate
Descriptor: CHLORIDE ION, Cysteine dioxygenase type I protein, FE (III) ION, ...
Authors:Kiser, P.D.
Deposit date:2020-11-10
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of 3-mercaptopropionic acid dioxygenase with a substrate analog reveals bidentate substrate binding at the iron center.
J.Biol.Chem., 296, 2021
7BR2
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BU of 7br2 by Molmil
BT4096 a gut microbial diltiazem-metabolizing enzyme
Descriptor: Lipolytic enzyme, G-D-S-L family
Authors:Ko, T.-P, Chen, C.-C, Guo, R.-T.
Deposit date:2020-03-26
Release date:2020-05-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure of a gut microbial diltiazem-metabolizing enzyme suggests possible substrate binding mode.
Biochem.Biophys.Res.Commun., 527, 2020
6MW1
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BU of 6mw1 by Molmil
cyclo-Mle-Phe-Mle-Phe. Pseudoxylallemycin A.
Descriptor: Pseudoxylallemycin A
Authors:Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J.
Deposit date:2018-10-29
Release date:2019-09-11
Method:X-RAY DIFFRACTION (0.77 Å)
Cite:Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A.
Org.Biomol.Chem., 17, 2019
7QNP
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BU of 7qnp by Molmil
Designed Armadillo repeat protein N(A4)M4C(AII) co-crystallized with hen egg white lysozyme
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Designed Armadillo Repeat Protein N(A4)M4C(AII), ...
Authors:Michel, E, Mittl, P.R.E, Plueckthun, A.
Deposit date:2021-12-21
Release date:2022-06-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.586 Å)
Cite:Improved Repeat Protein Stability by Combined Consensus and Computational Protein Design.
Biochemistry, 62, 2023
6JGU
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BU of 6jgu by Molmil
Crystal structure at atomic resolution reveals the catalytic mechanism in peptidyl-tRNA hydrolase from Acinetobacter baumannii.
Descriptor: Peptidyl-tRNA hydrolase
Authors:Viswanathan, V, Sharma, P, Sharma, S, Singh, T.P.
Deposit date:2019-02-14
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Crystal structure at atomic resolution reveals the catalytic mechanism in peptidyl-tRNA hydrolase from Acinetobacter baumannii.
To Be Published
6JHQ
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BU of 6jhq by Molmil
The cryo-EM structure of HAV bound to a neutralizing antibody-F4
Descriptor: FAB Heavy Chain, FAB Light Chain, VP1, ...
Authors:Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X.
Deposit date:2019-02-18
Release date:2020-03-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors.
Plos Biol., 17, 2019
6MW0
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BU of 6mw0 by Molmil
Mle-Phe-Mle-D-Phe. Linear tetrapeptide related to pseudoxylallemycin A.
Descriptor: METHANOL, Mle-Phe-Mle-D-Phe Linear tetrapeptide related to pseudoxylallemycin A
Authors:Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J.
Deposit date:2018-10-29
Release date:2019-09-11
Method:X-RAY DIFFRACTION (0.78 Å)
Cite:Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A.
Org.Biomol.Chem., 17, 2019
6JHT
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BU of 6jht by Molmil
The cryo-EM structure of HAV bound to a neutralizing antibody-F9
Descriptor: FAB Heavy Chain, FAB Light Chain, VP1, ...
Authors:Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X.
Deposit date:2019-02-19
Release date:2020-03-18
Method:ELECTRON MICROSCOPY (3.79 Å)
Cite:Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors.
Plos Biol., 17, 2019
4EHW
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BU of 4ehw by Molmil
Crystal structure of LpxK from Aquifex aeolicus at 2.3 angstrom resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Tetraacyldisaccharide 4'-kinase
Authors:Emptage, R.P, Daughtry, K.D, Pemble IV, C.W, Raetz, C.R.H.
Deposit date:2012-04-04
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of LpxK, the 4'-kinase of lipid A biosynthesis and atypical P-loop kinase functioning at the membrane interface.
Proc.Natl.Acad.Sci.USA, 109, 2012
2WM4
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BU of 2wm4 by Molmil
X-ray structure of Mycobacterium tuberculosis cytochrome P450 CYP124 in complex with phytanic acid
Descriptor: (3R,7S,11S)-3,7,11,15-tetramethylhexadecanoic acid, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Johnston, J.B, Kells, P.M, Podust, L.M, Ortiz de Montellano, P.R.
Deposit date:2009-06-30
Release date:2009-10-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Biochemical and structural characterization of CYP124: a methyl-branched lipid omega-hydroxylase from Mycobacterium tuberculosis.
Proc. Natl. Acad. Sci. U.S.A., 106, 2009
3F27
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BU of 3f27 by Molmil
Structure of Sox17 Bound to DNA
Descriptor: DNA (5'-D(*DCP*DCP*DAP*DGP*DGP*DAP*DCP*DAP*DAP*DTP*DAP*DGP*DAP*DGP*DAP*DC)-3'), DNA (5'-D(*DGP*DTP*DCP*DTP*DCP*DTP*DAP*DTP*DTP*DGP*DTP*DCP*DCP*DTP*DGP*DG)-3'), Transcription factor SOX-17
Authors:Palasingam, P, Jauch, R, Ng, C.K.L, Kolatkar, P.R.
Deposit date:2008-10-29
Release date:2009-04-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The Structure of Sox17 Bound to DNA Reveals a Conserved Bending Topology but Selective Protein Interaction Platforms
J.Mol.Biol., 388, 2009

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