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5ETP
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BU of 5etp by Molmil
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.05 angstrom resolution
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,9-dihydropurin-6-one, CALCIUM ION, ...
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2015-11-17
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETR
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BU of 5etr by Molmil
S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.32 angstrom resolution
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one, CHLORIDE ION, ...
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2015-11-18
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ZJN
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BU of 5zjn by Molmil
Structure of N-acetylmannosamine-6-phosphate-2-epimerase from Vibrio cholerae with N-acetylmannosamine-6-phosphate
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-acetylmannosamine-6-phosphate, ...
Authors:Manjunath, L, Guntupalli, S.
Deposit date:2018-03-21
Release date:2018-09-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Crystal structures and kinetic analyses of N-acetylmannosamine-6-phosphate 2-epimerases from Fusobacterium nucleatum and Vibrio cholerae
Acta Crystallogr F Struct Biol Commun, 74, 2018
7UCU
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BU of 7ucu by Molmil
Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 85K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-17
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UEC
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BU of 7uec by Molmil
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 50 K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-21
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UEI
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BU of 7uei by Molmil
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 100 K, 1.2 A, crystal 16
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-21
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UDE
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BU of 7ude by Molmil
Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 125 K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-18
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UC9
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BU of 7uc9 by Molmil
Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 45 K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-16
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UEF
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BU of 7uef by Molmil
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 85 K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-21
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UEE
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BU of 7uee by Molmil
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 75 K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-21
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UDR
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BU of 7udr by Molmil
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 25 K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-20
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
6BQK
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BU of 6bqk by Molmil
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 18)
Descriptor: N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-L-prolinamide, NS3 protease, ZINC ION
Authors:Klei, H.E, Sack, J.S.
Deposit date:2017-11-28
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor.
ACS Med Chem Lett, 9, 2018
7UA6
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BU of 7ua6 by Molmil
Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 25K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-11
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UEJ
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BU of 7uej by Molmil
horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 150 K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-21
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UCA
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BU of 7uca by Molmil
Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 65 K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-16
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UHW
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BU of 7uhw by Molmil
Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol at 120 K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-27
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UHX
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BU of 7uhx by Molmil
Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol at 150 K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-27
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UDD
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BU of 7udd by Molmil
Horse liver alcohol dehydrogenase complexed with NAD+ and 2,2,2-trifluoroethanol at 150 K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UHV
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BU of 7uhv by Molmil
Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol at 50 K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-27
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7URS
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BU of 7urs by Molmil
Crystal Structure of SARS-CoV-2 S delta variant receptor-binding domain (RBD) in complex CoV11 Fab crystal form 2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COV11 Fab HEAVY CHAIN, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2022-04-22
Release date:2022-05-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The molecular basis of the neutralization breadth of the RBD-specific antibody CoV11.
Front Immunol, 14, 2023
7URQ
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BU of 7urq by Molmil
Crystal Structure of SARS-CoV-2 S delta variant receptor-binding domain (RBD) in complex CoV11 Fab crystal form 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, COV11 Fab HEAVY CHAIN, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2022-04-22
Release date:2022-05-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The molecular basis of the neutralization breadth of the RBD-specific antibody CoV11.
Front Immunol, 14, 2023
6BQJ
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BU of 6bqj by Molmil
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 16)
Descriptor: ACETATE ION, CHLORIDE ION, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(2S)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide, ...
Authors:Klei, H.E, Sack, J.S.
Deposit date:2017-11-28
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor.
ACS Med Chem Lett, 9, 2018
5ZJB
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BU of 5zjb by Molmil
Structure of N-acetylmannosamine-6-phosphate-2-epimerase from Vibrio cholerae
Descriptor: DI(HYDROXYETHYL)ETHER, MALONATE ION, Putative N-acetylmannosamine-6-phosphate 2-epimerase
Authors:Manjunath, L, Guntupalli, S.
Deposit date:2018-03-19
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Crystal structures and kinetic analyses of N-acetylmannosamine-6-phosphate 2-epimerases from Fusobacterium nucleatum and Vibrio cholerae
Acta Crystallogr F Struct Biol Commun, 74, 2018
5ZKN
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BU of 5zkn by Molmil
Structure of N-acetylmannosamine-6-phosphate 2-epimerase from Fusobacterium nucleatum
Descriptor: CHLORIDE ION, Putative N-acetylmannosamine-6-phosphate 2-epimerase
Authors:Manjunath, L.
Deposit date:2018-03-24
Release date:2018-09-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:Crystal structures and kinetic analyses of N-acetylmannosamine-6-phosphate 2-epimerases from Fusobacterium nucleatum and Vibrio cholerae
Acta Crystallogr F Struct Biol Commun, 74, 2018
7S4S
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BU of 7s4s by Molmil
Crystal Structure of SARS-CoV-2 S receptor-binding domain (RBD) in complex CoV11 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CoV11 heavy chain, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2021-09-09
Release date:2021-09-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The molecular basis of the neutralization breadth of the RBD-specific antibody CoV11.
Front Immunol, 14, 2023

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