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4LSV
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BU of 4lsv by Molmil
Crystal structure of broadly and potently neutralizing antibody 3BNC117 in complex with HIV-1 clade C C1086 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEAVY CHAIN OF ANTIBODY 3BNC117, IMIDAZOLE, ...
Authors:Zhou, T, Moquin, S, Kwong, P.D.
Deposit date:2013-07-23
Release date:2013-08-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
6T89
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Thrombin in complex with (S)-N-(tert-butyl)-4-(3-(3-carbamimidoylphenyl)-2-((2',4'-dimethoxy-[1,1'-biphenyl])-3-sulfonamido)propanoyl)piperazine-1-carboxamide (MI-498)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide, DIMETHYL SULFOXIDE, ...
Authors:Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O.
Deposit date:2019-10-24
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
4LUM
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BU of 4lum by Molmil
The crystal structure of the P132V mutant of Pyrococcus furiosus phosphoglucose isomerase in complex with manganese and fructose-6- phosphate.
Descriptor: FRUCTOSE -6-PHOSPHATE, Glucose-6-phosphate isomerase, MANGANESE (II) ION
Authors:Baker, P.J, Almourfi, F.M.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Correlated mutation analysis as a tool for smart library design to improve protein performance.
To be Published
6TQF
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BU of 6tqf by Molmil
The structure of ABC transporter Rv1819c in AMP-PNP bound state
Descriptor: ABC transporter ATP-binding protein/permease, DODECYL-BETA-D-MALTOSIDE, MAGNESIUM ION, ...
Authors:Rempel, S, Gati, C, Slotboom, D.J, Guskov, A.
Deposit date:2019-12-16
Release date:2020-04-01
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A mycobacterial ABC transporter mediates the uptake of hydrophilic compounds.
Nature, 580, 2020
4LSS
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BU of 4lss by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC01 in complex with HIV-1 clade A strain KER_2018_11 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEAVY CHAIN OF ANTIBODY VRC01, ...
Authors:Zhou, T, Moquin, S, Kwong, P.D.
Deposit date:2013-07-23
Release date:2013-08-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
4LUL
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BU of 4lul by Molmil
The crystal structure of the P132A, Y133D mutant of Pyrococcus furiosus phosphoglucose isomerase in complex with manganese.
Descriptor: Glucose-6-phosphate isomerase, MANGANESE (II) ION
Authors:Baker, P.J, Almourfi, F.M.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Correlated mutation analysis as a tool for smart library design to improve protein performance.
To be Published
5LMA
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BU of 5lma by Molmil
HUMAN SPLEEN TYROSINE KINASE KINASE DOMAIN IN COMPLEX WITH AZANAPHTHYRIDINE INHIBITOR
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Tyrosine-protein kinase SYK, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Optimisation of a novel series of potent and orally bioavailable azanaphthyridine SYK inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
4LUK
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BU of 4luk by Molmil
The crystal structure of the P132A, Y133G mutant of Pyrococcus furiosus phosphoglucose isomerase in complex with manganese and 5-phospho-D-arabinonate.
Descriptor: 1,2-ETHANEDIOL, 5-PHOSPHOARABINONIC ACID, Glucose-6-phosphate isomerase, ...
Authors:Baker, P.J, Almourfi, F.M.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Correlated mutation analysis as a tool for smart library design to improve protein performance.
To be Published
4M18
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BU of 4m18 by Molmil
Crystal Structure of Surfactant Protein-D D325A/R343V mutant in complex with trimannose (Man-a1,2Man-a1,2Man)
Descriptor: CALCIUM ION, Pulmonary surfactant-associated protein D, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ...
Authors:Goh, B.C, Rynkiewicz, M.J, Cafarella, T.R, White, M.R, Hartshorn, K.L, Allen, K, Crouch, E.C, Calin, O, Seeberger, P.H, Schulten, K, Seaton, B.A.
Deposit date:2013-08-02
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.203 Å)
Cite:Molecular mechanisms of inhibition of influenza by surfactant protein d revealed by large-scale molecular dynamics simulation.
Biochemistry, 52, 2013
4M20
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BU of 4m20 by Molmil
Crystal Structure of hypothetical protein SAV0944 from Staphylococcus aureus subsp. aureus Mu50
Descriptor: COENZYME A, Uncharacterized protein
Authors:Khandokar, Y.B, Forwood, J.K.
Deposit date:2013-08-05
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Expression, purification, crystallization and preliminary X-ray analysis of the PaaI-like thioesterase SAV0944 from Staphylococcus aureus.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4LSP
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BU of 4lsp by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC-CH31 in complex with HIV-1 clade A/E gp120 93TH057
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhou, T, Moquin, S, Kwong, P.D.
Deposit date:2013-07-23
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
3EXM
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BU of 3exm by Molmil
Crystal structure of the phosphatase SC4828 with the non-hydrolyzable nucleotide GPCP
Descriptor: CALCIUM ION, GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER, ...
Authors:Singer, A.U, Xu, X, Zheng, H, Joachimiak, A, Edwards, A.M, Savchenko, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-10-16
Release date:2008-12-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and mechanism of a new family of prokaryotic nucleoside diphosphatases.
To be Published
4LSR
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BU of 4lsr by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC-CH31 in complex with HIV-1 clade A/E stran 93TH057 gp120 with LOOP D and Loop V5 from clade A strain KER_2018_11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 WITH LOOP D AND V5 FROM STRAIN ker_2018_11, HEAVY CHAIN OF ANTIBODY VRC-CH31, ...
Authors:Zhou, T, Moquin, S, Kwong, P.D.
Deposit date:2013-07-23
Release date:2013-08-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
4MBG
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BU of 4mbg by Molmil
Crystal structure of Aspergillus fumigatus protein farnesyltransferase binary complex with farnesyldiphosphate
Descriptor: 1,2-ETHANEDIOL, CaaX farnesyltransferase alpha subunit Ram2, CaaX farnesyltransferase beta subunit Ram1, ...
Authors:Mabanglo, M.F, Hast, M.A, Beese, L.S.
Deposit date:2013-08-19
Release date:2014-01-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design.
Protein Sci., 23, 2014
4LSQ
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BU of 4lsq by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC-CH31 in complex with HIV-1 clade A/E gp120 93TH057 with LOOP D and Loop V5 from clade A strain 3415_v1_c1
Descriptor: (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ...
Authors:Zhou, T, Moquin, S, Kwong, P.D.
Deposit date:2013-07-23
Release date:2013-08-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
4M5P
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BU of 4m5p by Molmil
OYE2.6 Y78W, I113C
Descriptor: FLAVIN MONONUCLEOTIDE, MALONIC ACID, NADPH dehydrogenase, ...
Authors:Sullivan, B, Stewart, J.D.
Deposit date:2013-08-08
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Residues Controlling Facial Selectivity in an Alkene Reductase and Semirational Alterations to Create Stereocomplementary Variants.
ACS catalysis, 4, 2014
3EYW
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BU of 3eyw by Molmil
Crystal structure of the C-terminal domain of E. coli KefC in complex with KefF
Descriptor: C-terminal domain of Glutathione-regulated potassium-efflux system protein kefC fused to full length Glutathione-regulated potassium-efflux system ancillary protein kefF, FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, ...
Authors:Roosild, T.P.
Deposit date:2008-10-22
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:KTN (RCK) Domains Regulate K(+) Channels and Transporters by Controlling the Dimer-Hinge Conformation.
Structure, 17, 2009
6TKV
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BU of 6tkv by Molmil
Crystal structure of the human FUT8 in complex with GDP and a biantennary complex N-glycan
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-(1,6)-fucosyltransferase, GLYCEROL, ...
Authors:Garcia-Garcia, A, Ceballos-Laita, L, Serna, L, Artschwager, R, Reichardt, N.C, Corzana, F, Hurtado-Guerrero, R.
Deposit date:2019-11-29
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for substrate specificity and catalysis of alpha 1,6-fucosyltransferase.
Nat Commun, 11, 2020
5JPQ
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BU of 5jpq by Molmil
Cryo-EM structure of the 90S pre-ribosome
Descriptor: 18S ribosomal RNA, Bms1, Emg1, ...
Authors:Turk, M, Cheng, J, Berninghausen, O, Kornprobst, M, Flemming, D, Kos-Braun, I.C, Kos, M, Thoms, M, Hurt, E, Beckmann, R.
Deposit date:2016-05-04
Release date:2016-07-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Architecture of the 90S Pre-ribosome: A Structural View on the Birth of the Eukaryotic Ribosome.
Cell, 166, 2016
1AXG
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BU of 1axg by Molmil
CRYSTAL STRUCTURE OF THE VAL203->ALA MUTANT OF LIVER ALCOHOL DEHYDROGENASE COMPLEXED WITH COFACTOR NAD AND INHIBITOR TRIFLUOROETHANOL SOLVED TO 2.5 ANGSTROM RESOLUTION
Descriptor: ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ...
Authors:Colby, T.D, Chin, J.K, Bahnson, B.J, Goldstein, B.M, Klinman, J.P.
Deposit date:1997-10-15
Release date:1998-04-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A link between protein structure and enzyme catalyzed hydrogen tunneling.
Proc.Natl.Acad.Sci.USA, 94, 1997
5KK1
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BU of 5kk1 by Molmil
Structure of pNOB8 AspA-DNA complex.
Descriptor: AspA, DNA (31-MER)
Authors:Schumacher, M.
Deposit date:2016-06-20
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:to be published
To Be Published
6XKI
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BU of 6xki by Molmil
Crystal structure of eIF4A-I in complex with RNA bound to des-MePateA, a pateamine A analog
Descriptor: (3S,6Z,8E,11S,15R)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione, Eukaryotic initiation factor 4A-I, MAGNESIUM ION, ...
Authors:Liang, J, Naineni, S.K, Pelletier, J, Nagar, B.
Deposit date:2020-06-26
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Functional mimicry revealed by the crystal structure of an eIF4A:RNA complex bound to the interfacial inhibitor, desmethyl pateamine A.
Cell Chem Biol, 28, 2021
6NW0
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Crystal Structure Desulfovibrio desulfuricans Nickel-Substituted Rubredoxin
Descriptor: NICKEL (II) ION, Rubredoxin
Authors:Slater, J.W, Marguet, S.C, Gray, M.E, Sotomayor, M, Shafaat, H.S.
Deposit date:2019-02-05
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Power of the Secondary Sphere: Modulating Hydrogenase Activity in Nickel-Substituted Rubredoxin
Acs Catalysis, 2019
9WGA
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BU of 9wga by Molmil
2.2 ANGSTROMS RESOLUTION STRUCTURE ANALYSIS OF TWO REFINED N-ACETYLNEURAMINYLLACTOSE-WHEAT GERM AGGLUTININ ISOLECTIN COMPLEXES
Descriptor: WHEAT GERM LECTIN
Authors:Wright, C.S.
Deposit date:1990-04-20
Release date:1990-10-15
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:2.2 A resolution structure analysis of two refined N-acetylneuraminyl-lactose--wheat germ agglutinin isolectin complexes.
J.Mol.Biol., 215, 1990
6NF2
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BU of 6nf2 by Molmil
Cryo-EM structure of vaccine-elicited antibody 0PV-c.01 in complex with HIV-1 Env BG505 DS-SOSIP and antibodies VRC03 and PGT122
Descriptor: 0PV-c.01 Heavy Chain, 0PV-c.01 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2018-12-18
Release date:2019-07-24
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019

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