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6SAT
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BU of 6sat by Molmil
Cell Division Protein SepF in complex with C-terminal domain of FtsZ
Descriptor: Cell division protein FtsZ, Cell division protein SepF
Authors:Sogues, A, Wehenkel, A.M, Alzari, P.M.
Deposit date:2019-07-17
Release date:2020-03-11
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Essential dynamic interdependence of FtsZ and SepF for Z-ring and septum formation in Corynebacterium glutamicum.
Nat Commun, 11, 2020
7AL2
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BU of 7al2 by Molmil
Cell division protein SepF from Methanobrevibacter smithii in complex with FtsZ-CTD
Descriptor: Cell division protein FtsZ, Cell division protein SepF
Authors:Sogues, A, Wehenkel, A.M, Alzari, P.M.
Deposit date:2020-10-04
Release date:2021-03-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:SepF is the FtsZ anchor in archaea, with features of an ancestral cell division system.
Nat Commun, 12, 2021
7AL1
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BU of 7al1 by Molmil
Cell division protein SepF from Methanobrevibacter smithii
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein SepF
Authors:Sogues, A, wehenkel, A.M, Alzari, P.M.
Deposit date:2020-10-04
Release date:2021-03-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:SepF is the FtsZ anchor in archaea, with features of an ancestral cell division system.
Nat Commun, 12, 2021
6SCQ
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BU of 6scq by Molmil
Cell Division Protein SepF in complex with C-terminal domain of FtsZ
Descriptor: Cell division protein SepF
Authors:Sogues, A, Wehenkel, A.M, Alzari, P.M.
Deposit date:2019-07-25
Release date:2020-03-11
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Essential dynamic interdependence of FtsZ and SepF for Z-ring and septum formation in Corynebacterium glutamicum.
Nat Commun, 11, 2020
6SCS
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BU of 6scs by Molmil
Cell Division Protein SepF in complex with C-terminal domain of FtsZ
Descriptor: Cell division protein FtsZ, Cell division protein SepF, MAGNESIUM ION
Authors:Sogues, A, Wehenkel, A.M, Alzari, P.M.
Deposit date:2019-07-25
Release date:2020-03-11
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Essential dynamic interdependence of FtsZ and SepF for Z-ring and septum formation in Corynebacterium glutamicum.
Nat Commun, 11, 2020
5LK2
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BU of 5lk2 by Molmil
Structure of hantavirus envelope glycoprotein Gc in postfusion conformation in presence of 300 mM KCL
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, POTASSIUM ION, ...
Authors:Guardado-Calvo, P, Rey, F.A.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
6TGX
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BU of 6tgx by Molmil
Crystal structure of Arabidopsis thaliana NAA60 in complex with a bisubstrate analogue
Descriptor: Acyl-CoA N-acyltransferases (NAT) superfamily protein, CARBOXYMETHYL COENZYME *A, MET-VAL-ASN-ALA
Authors:Layer, D, Kopp, J, Lapouge, K, Sinning, I.
Deposit date:2019-11-18
Release date:2020-06-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The Arabidopsis N alpha -acetyltransferase NAA60 locates to the plasma membrane and is vital for the high salt stress response.
New Phytol., 228, 2020
3DAU
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BU of 3dau by Molmil
Crystal structure of the ternary MTX NADPH complex of Escherichia coli dihydrofolate reductase
Descriptor: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bennett, B.C, Dealwis, C.G.
Deposit date:2008-05-30
Release date:2009-04-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray structure of the ternary MTX.NADPH complex of the anthrax dihydrofolate reductase: a pharmacophore for dual-site inhibitor design.
J.Struct.Biol., 166, 2009
1ZY3
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BU of 1zy3 by Molmil
Structural model of complex of Bcl-w protein with Bid BH3-peptide
Descriptor: Apoptosis regulator Bcl-W, BH3-peptide from BH3 interacting domain death agonist protein
Authors:Denisov, A.Y, Gehring, K.
Deposit date:2005-06-09
Release date:2006-02-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural Model of the BCL-w-BID Peptide Complex and Its Interactions with Phospholipid Micelles.
Biochemistry, 45, 2006
3EPI
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BU of 3epi by Molmil
Structure of Human DNA Polymerase Iota complexed with N2-ethylguanine and incoming TTP
Descriptor: 5'-D(*DTP*DCP*DTP*(2EG)P*DGP*DGP*DGP*DTP*DCP*DCP*DTP*DAP*DGP*DGP*DAP*DCP*DCP*(DOC))-3', DNA polymerase iota, PHOSPHATE ION, ...
Authors:Pence, M.G.
Deposit date:2008-09-29
Release date:2008-12-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Lesion bypass of N2-ethylguanine by human DNA polymerase iota.
J.Biol.Chem., 284, 2009
3E3U
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BU of 3e3u by Molmil
Crystal structure of Mycobacterium tuberculosis peptide deformylase in complex with inhibitor
Descriptor: N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide, NICKEL (II) ION, Peptide deformylase
Authors:Meng, W, Xu, M, Pan, S, Koehn, J.
Deposit date:2008-08-08
Release date:2009-01-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Peptide deformylase inhibitors of Mycobacterium tuberculosis: synthesis, structural investigations, and biological results.
Bioorg.Med.Chem.Lett., 18, 2008
3DAT
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BU of 3dat by Molmil
Crystal structure of the ternary MTX NADPH complex of Bacillus anthracis dihydrofolate reductase
Descriptor: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bennett, B.C, Dealwis, C.G.
Deposit date:2008-05-30
Release date:2009-04-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray structure of the ternary MTX.NADPH complex of the anthrax dihydrofolate reductase: a pharmacophore for dual-site inhibitor design.
J.Struct.Biol., 166, 2009
3BKI
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BU of 3bki by Molmil
Crystal Structure of the GluR2 ligand binding core (S1S2J) in complex with FQX at 1.87 Angstroms
Descriptor: Glutamate receptor 2, [1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide
Authors:Cruz, L, Estebanez-Perpina, E, Pfaff, S, Borngraeber, S, Bao, N, Fletterick, R, England, P.
Deposit date:2007-12-06
Release date:2008-09-16
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:6-Azido-7-nitro-1,4-dihydroquinoxaline-2,3-dione (ANQX) forms an irreversible bond to the active site of the GluR2 AMPA receptor.
J.Med.Chem., 51, 2008
3Q46
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BU of 3q46 by Molmil
Magnesium activated Inorganic pyrophosphatase from Thermococcus thioreducens bound to hydrolyzed product at 0.99 Angstrom resolution
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Hughes, R.C, Coates, L, Meehan, E.J, Ng, J.D.
Deposit date:2010-12-23
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction.
Acta Crystallogr.,Sect.F, 68, 2012
8SUJ
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BU of 8suj by Molmil
Joint X-ray/neutron structure of Thermus thermophilus serine hydroxymethyltransferase (TthSHMT) in internal aldimine state
Descriptor: SULFATE ION, Serine hydroxymethyltransferase
Authors:Drago, V.N, Kovalevsky, A.
Deposit date:2023-05-12
Release date:2023-08-16
Last modified:2023-11-15
Method:NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
Cite:Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography.
Commun Chem, 6, 2023
4ASK
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BU of 4ask by Molmil
CRYSTAL STRUCTURE OF JMJD3 WITH GSK-J1
Descriptor: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ...
Authors:Chung, C, Mosley, J, Liddle, J.
Deposit date:2012-05-01
Release date:2012-07-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
2YK0
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BU of 2yk0 by Molmil
Structure of the N-terminal NTS-DBL1-alpha and CIDR-gamma double domain of the PfEMP1 protein from Plasmodium falciparum varO strain.
Descriptor: ERYTHROCYTE MEMBRANE PROTEIN 1, MAGNESIUM ION, SULFATE ION
Authors:Lewit-Bentley, A, Juillerat, A, Vigan-Womas, I, Guillotte, M, Hessel, A, Raynal, B, Mercereau-Puijalon, O, Bentley, G.A.
Deposit date:2011-05-25
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for the Abo Blood-Group Dependence of Plasmodium Falciparum Rosetting.
Plos Pathog., 8, 2012
7ZH7
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BU of 7zh7 by Molmil
Cryo-EM structure of ex vivo AA amyloid from renal tissue of a short hair cat deceased in a shelter
Descriptor: Serum amyloid A protein
Authors:Schulte, T, Chaves-Sanjuan, A, Ricagno, S.
Deposit date:2022-04-05
Release date:2022-11-30
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of ex vivo fibrils associated with extreme AA amyloidosis prevalence in a cat shelter.
Nat Commun, 13, 2022
3B2W
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BU of 3b2w by Molmil
Crystal structure of pyrimidine amide 11 bound to Lck
Descriptor: N-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide, Proto-oncogene tyrosine-protein kinase LCK
Authors:Huang, X.
Deposit date:2007-10-19
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:N-(3-(phenylcarbamoyl)arylpyrimidine)-5-carboxamides as potent and selective inhibitors of Lck: structure, synthesis and SAR.
Bioorg.Med.Chem.Lett., 18, 2008
5WEY
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BU of 5wey by Molmil
Joint X-ray/neutron structure of Concanavalin A with alpha1-2 D-mannobiose
Descriptor: CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ...
Authors:Kovalevsky, A, Gerlits, O.O, Woods, R.J.
Deposit date:2017-07-11
Release date:2017-09-13
Last modified:2023-10-04
Method:NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
Cite:Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A As Revealed by Neutron Crystallography.
Biochemistry, 56, 2017
5LCV
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BU of 5lcv by Molmil
Structural basis of Zika and Dengue virus potent antibody cross-neutralization
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11, FORMIC ACID, ...
Authors:Barba-Spaeth, G.
Deposit date:2016-06-22
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis of potent Zika-dengue virus antibody cross-neutralization.
Nature, 536, 2016
3BYU
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BU of 3byu by Molmil
co-crystal structure of Lck and aminopyrimidine reverse amide 23
Descriptor: 2-methyl-N-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase LCK
Authors:Huang, X.
Deposit date:2008-01-16
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation.
J.Med.Chem., 51, 2008
2VS2
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BU of 2vs2 by Molmil
Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor.
Descriptor: ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
Authors:Coates, L, Tuan, H.-F, Tomanicek, S, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J.
Deposit date:2008-04-17
Release date:2008-05-27
Last modified:2023-11-15
Method:NEUTRON DIFFRACTION (2 Å)
Cite:The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
1H3J
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BU of 1h3j by Molmil
STRUCTURE OF RECOMBINANT COPRINUS CINEREUS PEROXIDASE DETERMINED TO 2.0 A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MAGNESIUM ION, ...
Authors:Petersen, J.F.W, Houborg, K, Harris, P, Larsen, S.
Deposit date:2002-09-05
Release date:2003-06-12
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Impact of the Physical and Chemical Environment on the Molecular Structure of Coprinus Cinereus Peroxidase
Acta Crystallogr.,Sect.D, 59, 2003
3TP3
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BU of 3tp3 by Molmil
Structure of HTH-type transcriptional regulator EthR, G106W mutant
Descriptor: HTH-type transcriptional regulator EthR
Authors:Carette, X.
Deposit date:2011-09-07
Release date:2011-12-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands.
Nucleic Acids Res., 40, 2011

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