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6NAK
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BU of 6nak by Molmil
BACTERIAL PROTEIN COMPLEX TM BDE complex
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, TsaE, ...
Authors:Stec, B.
Deposit date:2018-12-05
Release date:2023-04-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Discovery of the Universal tRNA Binding Mode for the TsaD-like Components of the t6A tRNA Modification Pathway
Biophysica, 3, 2023
6I9R
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BU of 6i9r by Molmil
Large subunit of the human mitochondrial ribosome in complex with Virginiamycin M and Quinupristin
Descriptor: 16S rRNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Modelska, A, Aibara, S, Amunts, A.
Deposit date:2018-11-25
Release date:2020-07-08
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Inhibition of mitochondrial translation suppresses glioblastoma stem cell growth.
Cell Rep, 35, 2021
2P3U
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BU of 2p3u by Molmil
Crystal structure of human factor XA complexed with 3-chloro-N-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide {Pfizer 320663}
Descriptor: 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X
Authors:Adler, M, Whitlow, M.
Deposit date:2007-03-09
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:

3KEE
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BU of 3kee by Molmil
HCV NS3/NS4A complexed with Non-covalent macrocyclic compound TMC435
Descriptor: (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, 19-mer peptide from Genome polyprotein, GLYCEROL, ...
Authors:Lindberg, J.D, Nystrom, S, Cummings, M.D.
Deposit date:2009-10-26
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Induced-Fit Binding of the Macrocyclic Noncovalent Inhibitor TMC435 to its HCV NS3/NS4A Protease Target
Angew.Chem.Int.Ed.Engl., 49, 2010
5OMZ
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BU of 5omz by Molmil
Solution structure of domain III (DIII)of Zika virus Envelope protein
Descriptor: Envelope Protein
Authors:Zerbe, O, Bardelli, M.
Deposit date:2017-08-02
Release date:2017-10-04
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A Human Bi-specific Antibody against Zika Virus with High Therapeutic Potential.
Cell, 171, 2017
6MLM
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BU of 6mlm by Molmil
H7 HA0 in complex with Fv from H7.5 IgG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fv of H7.5 Fab, Hemagglutinin HA1 chain, ...
Authors:Pallesen, J, Turner, H.L, Ward, A.B.
Deposit date:2018-09-27
Release date:2019-02-20
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Potent anti-influenza H7 human monoclonal antibody induces separation of hemagglutinin receptor-binding head domains.
PLoS Biol., 17, 2019
3KF2
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BU of 3kf2 by Molmil
The HCV NS3/NS4A protease apo structure
Descriptor: 19-mer peptide from Genome polyprotein, Polyprotein, ZINC ION
Authors:Lindberg, J.D, Nystrom, S, Cummings, M.D.
Deposit date:2009-10-27
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Induced-Fit Binding of the Macrocyclic Noncovalent Inhibitor TMC435 to its HCV NS3/NS4A Protease Target
Angew.Chem.Int.Ed.Engl., 49, 2010
1MQ5
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BU of 1mq5 by Molmil
Crystal Structure of 3-chloro-N-[4-chloro-2-[[(4-chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide Complexed with Human Factor Xa
Descriptor: 3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]-4-[(4-METHYL-1-PIPERAZINYL)METHYL]-2-THIOPHENECARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2002-09-13
Release date:2003-01-28
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Two Potent Nonamidine Inhibitors Bound to Factor Xa
Biochemistry, 41, 2002
3EJC
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BU of 3ejc by Molmil
Full length Receptor Binding Protein from Lactococcal phage TP901-1
Descriptor: Baseplate protein (BPP)
Authors:Spinelli, S, Lichiere, J, Blangy, S, Sciara, G, Cambillau, C, Campanacci, V.
Deposit date:2008-09-18
Release date:2009-10-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and molecular assignment of lactococcal phage TP901-1 baseplate.
J.Biol.Chem., 285, 2010
5M05
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BU of 5m05 by Molmil
Chicken smooth muscle myosin motor domain co-crystallized with the specific CK-571 inhibitor, MgADP form
Descriptor: 4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-O-(isoquinolin-3-ylcarbamoyl)-D-erythro-pentitol, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sirigu, S, Hartman, J, Houdusse, A.
Deposit date:2016-10-03
Release date:2016-11-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.675 Å)
Cite:Highly selective inhibition of myosin motors provides the basis of potential therapeutic application.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5XRQ
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BU of 5xrq by Molmil
Crystal structure of human monoclonal antibody H3v-47
Descriptor: Fab H3v-47 heavy chain, Fab H3v-47 light chain
Authors:Zhang, H, Willson, I.A.
Deposit date:2017-06-09
Release date:2018-07-25
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A multifunctional human monoclonal neutralizing antibody that targets a unique conserved epitope on influenza HA.
Nat Commun, 9, 2018
5JDD
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BU of 5jdd by Molmil
Crystal structure of I9-I11 tandem from titin (P212121)
Descriptor: Titin
Authors:Williams, R, Bogomolovas, J, Labiet, S, Mayans, O.
Deposit date:2016-04-16
Release date:2016-09-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Exploration of pathomechanisms triggered by a single-nucleotide polymorphism in titin's I-band: the cardiomyopathy-linked mutation T2580I.
Open Biology, 6, 2016
5JDJ
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BU of 5jdj by Molmil
Crystal structure of domain I10 from titin in space group P212121
Descriptor: CALCIUM ION, Titin
Authors:Williams, R, Bogomolovas, J, Labiet, S, Mayans, O.
Deposit date:2016-04-16
Release date:2016-08-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.738 Å)
Cite:Exploration of pathomechanisms triggered by a single-nucleotide polymorphism in titin's I-band: the cardiomyopathy-linked mutation T2580I.
Open Biology, 6, 2016
3DJW
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BU of 3djw by Molmil
The thermo- and acido-stable ORF-99 from the archaeal virus AFV1
Descriptor: ORF99
Authors:Goulet, A, Spinelli, S, Prangishvili, D, van Tilbeurgh, H, Cambillau, C, Campanacci, V.
Deposit date:2008-06-24
Release date:2009-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The thermo- and acido-stable ORF-99 from the archaeal virus AFV1
Protein Sci., 18, 2009
5XRT
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BU of 5xrt by Molmil
Crystal structure of A/Minnesota/11/2010 (H3N2) influenza virus hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, H, Wilson, I.A.
Deposit date:2017-06-09
Release date:2018-07-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A multifunctional human monoclonal neutralizing antibody that targets a unique conserved epitope on influenza HA.
Nat Commun, 9, 2018
5XRS
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BU of 5xrs by Molmil
Crystal structure of A/Minnesota/11/2010 (H3N2) influenza virus hemagglutinin in complex with LSTc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, ...
Authors:Zhang, H, Wilson, I.A.
Deposit date:2017-06-09
Release date:2018-07-25
Last modified:2022-10-12
Method:X-RAY DIFFRACTION (2.907 Å)
Cite:A multifunctional human monoclonal neutralizing antibody that targets a unique conserved epitope on influenza HA.
Nat Commun, 9, 2018
7A4N
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BU of 7a4n by Molmil
Cryo-EM structure of a prefusion stabilized SARS-CoV-2 Spike (D614N, R682S, R685G, A892P, A942P and V987P)(S-closed trimer)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin
Authors:Rutten, L, Renault, L.L.R, Juraszek, J, Langedijk, J.P.M.
Deposit date:2020-08-20
Release date:2020-11-04
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Stabilizing the closed SARS-CoV-2 spike trimer.
Nat Commun, 12, 2021
5JDE
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BU of 5jde by Molmil
Crystal structure of I9-I11 tandem from titin (P1)
Descriptor: Titin
Authors:Williams, R, Bogomolovas, J, Labiet, S, Mayans, O.
Deposit date:2016-04-16
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploration of pathomechanisms triggered by a single-nucleotide polymorphism in titin's I-band: the cardiomyopathy-linked mutation T2580I.
Open Biology, 6, 2016
7AD1
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BU of 7ad1 by Molmil
Cryo-EM structure of a prefusion stabilized SARS-CoV-2 Spike (D614N, R682S, R685G, A892P, A942P and V987P)(One up trimer)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein,Spike glycoprotein,Envelope glycoprotein,SARS-CoV-2 S protein
Authors:Rutten, L, Renault, L.L.R, Juraszek, J, Langedijk, J.P.M.
Deposit date:2020-09-14
Release date:2020-11-04
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Stabilizing the closed SARS-CoV-2 spike trimer.
Nat Commun, 12, 2021
1GWX
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BU of 1gwx by Molmil
MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS
Descriptor: 2-(4-{3-[1-[2-(2-CHLORO-6-FLUORO-PHENYL)-ETHYL]-3-(2,3-DICHLORO-PHENYL)-UREIDO]-PROPYL}-PHENOXY)-2-METHYL-PROPIONIC ACID, PROTEIN (PPAR-DELTA)
Authors:Xu, H.E, Lambert, M.H, Montana, V.G, Park, D.J, Blanchard, S, Brown, P, Sternbach, D, Lehmann, J, Bruce, G.W, Willson, T.M, Kliewer, S.A, Milburn, M.V.
Deposit date:1999-03-17
Release date:2000-03-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
3DF6
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BU of 3df6 by Molmil
The thermo- and acido-stable ORF-99 from the archaeal virus AFV1
Descriptor: CALCIUM ION, ORF99
Authors:Goulet, A, Spinelli, S, Prangishvili, D, van Tilbeurgh, H, Cambillau, C, Campanacci, V.
Deposit date:2008-06-11
Release date:2009-06-16
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The thermo- and acido-stable ORF-99 from the archaeal virus AFV1
Protein Sci., 18, 2009
4OB0
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BU of 4ob0 by Molmil
Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Phenyl Boronic Acid
Descriptor: COBALT (II) ION, Cobalt-containing nitrile hydratase subunit alpha, Cobalt-containing nitrile hydratase subunit beta, ...
Authors:Rui, W, Salette, M, Ruslan, S, Richard, H, Dali, L.
Deposit date:2014-01-06
Release date:2014-11-26
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The active site sulfenic acid ligand in nitrile hydratases can function as a nucleophile.
J.Am.Chem.Soc., 136, 2014
2QR0
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BU of 2qr0 by Molmil
Structure of VEGF complexed to a Fab containing TYR and SER in the CDRs
Descriptor: Fab-Fragment Heavy Chain, Fab-Fragment Light Chain, Vascular endothelial growth factor A
Authors:Wiesmann, C.
Deposit date:2007-07-27
Release date:2007-08-14
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:High-throughput generation of synthetic antibodies from highly functional minimalist phage-displayed libraries
J.Mol.Biol., 373, 2007
5OVZ
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BU of 5ovz by Molmil
High resolution structure of the PBP NocT in complex with nopaline
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid, ...
Authors:Vigouroux, A, Morera, S.
Deposit date:2017-08-30
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host.
Plos Pathog., 10, 2014
6XQS
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BU of 6xqs by Molmil
Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Telaprevir
Descriptor: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase
Authors:Kneller, D.W, Kovalevsky, A, Coates, L.
Deposit date:2020-07-10
Release date:2020-07-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals.
Structure, 28, 2020

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