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4TVW
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BU of 4tvw by Molmil
Resorufin ligase with bound resorufin-AMP analog
Descriptor: 5'-O-{[5-(7-hydroxy-3-oxo-3H-phenoxazin-2-yl)pentanoyl]sulfamoyl}adenosine, Lipoate-protein ligase A
Authors:Goldman, P.J, Drennan, C.L.
Deposit date:2014-06-28
Release date:2014-10-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.505 Å)
Cite:Computational design of a red fluorophore ligase for site-specific protein labeling in living cells.
Proc.Natl.Acad.Sci.USA, 111, 2014
7AED
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BU of 7aed by Molmil
VirB8 domain of PrgL from Enterococcus faecalis pCF10
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PrgL
Authors:Jaeger, F, Berntsson, R.P.A.
Deposit date:2020-09-17
Release date:2020-11-18
Last modified:2022-06-15
Method:X-RAY DIFFRACTION (1.753 Å)
Cite:Structure of the enterococcal T4SS protein PrgL reveals unique dimerization interface in the VirB8 protein family.
Structure, 30, 2022
6V4X
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BU of 6v4x by Molmil
Cryo-EM structure of an active human histone pre-mRNA 3'-end processing machinery at 3.2 Angstrom resolution
Descriptor: Cleavage and polyadenylation specificity factor subunit 2, Cleavage and polyadenylation specificity factor subunit 3, Small nuclear ribonucleoprotein E, ...
Authors:Sun, Y, Zhang, Y, Walz, T, Tong, L.
Deposit date:2019-12-02
Release date:2020-02-19
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of an active human histone pre-mRNA 3'-end processing machinery.
Science, 367, 2020
6WAA
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BU of 6waa by Molmil
K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and compound 34 (7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one, CHLORIDE ION, ...
Authors:Noeske, J, Shu, W, Bellamacina, C.
Deposit date:2020-03-24
Release date:2020-07-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
7BYK
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BU of 7byk by Molmil
Crystal structure of the Legionella pneumophila LegK7 effector kinase
Descriptor: LegK7
Authors:Park, S.C, Kim, T.H, Yoon, S.I.
Deposit date:2020-04-23
Release date:2020-12-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Activation of the Legionella pneumophila LegK7 Effector Kinase by the Host MOB1 Protein.
J.Mol.Biol., 433, 2020
8SK2
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BU of 8sk2 by Molmil
X-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia, apo form
Descriptor: 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ZINC ION
Authors:Thoden, J.B, Holden, H.M.
Deposit date:2023-04-18
Release date:2023-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Characterization of a novel inhibitor for the New Delhi metallo-beta-lactamase-4: Implications for drug design and combating bacterial drug resistance.
J.Biol.Chem., 299, 2023
8SKO
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BU of 8sko by Molmil
X-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia with L-Captopril bound
Descriptor: L-CAPTOPRIL, Metallo-beta-lactamase type 2, ZINC ION
Authors:Thoden, J.B, Holden, H.M.
Deposit date:2023-04-20
Release date:2023-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Characterization of a novel inhibitor for the New Delhi metallo-beta-lactamase-4: Implications for drug design and combating bacterial drug resistance.
J.Biol.Chem., 299, 2023
8SKP
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BU of 8skp by Molmil
X-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia in complex with 1-hydroxypyridine-2(1H)-thione-6-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 1-hydroxy-6-sulfanylidene-1,6-dihydropyridine-2-carboxylic acid, Metallo-beta-lactamase type 2, ...
Authors:Thoden, J.B, Holden, H.M.
Deposit date:2023-04-20
Release date:2023-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Characterization of a novel inhibitor for the New Delhi metallo-beta-lactamase-4: Implications for drug design and combating bacterial drug resistance.
J.Biol.Chem., 299, 2023
5YVE
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BU of 5yve by Molmil
Crystal structure of human P2X3 receptor in complex with the AF-219 negative allosteric modulator
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide, MAGNESIUM ION, ...
Authors:Wang, Y, Hattori, M.
Deposit date:2017-11-25
Release date:2018-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Druggable negative allosteric site of P2X3 receptors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1HSB
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BU of 1hsb by Molmil
DIFFERENT LENGTH PEPTIDES BIND TO HLA-AW68 SIMILARLY AT THEIR ENDS BUT BULGE OUT IN THE MIDDLE
Descriptor: ALANINE, ARGININE, BETA 2-MICROGLOBULIN, ...
Authors:Guo, H.-C, Strominger, J.L, Wiley, D.C.
Deposit date:1993-03-30
Release date:1993-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Different length peptides bind to HLA-Aw68 similarly at their ends but bulge out in the middle.
Nature, 360, 1992
7ZZK
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BU of 7zzk by Molmil
Structure of the N-acetyl-D-glucosamine oxidase from Ralstonia Solanacearum
Descriptor: ALANINE, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Boverio, A, Rozeboom, H.J, Fraaije, M.W.
Deposit date:2022-05-25
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Elucidation and Engineering of a Bacterial Carbohydrate Oxidase.
Biochemistry, 62, 2023
8BEG
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BU of 8beg by Molmil
Structure of Ig-like domains from PrgB
Descriptor: MAGNESIUM ION, PrgB
Authors:Jarva, M, Schmitt, A, Berntsson, R.P.-A.
Deposit date:2022-10-21
Release date:2022-11-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural foundation for the role of enterococcal PrgB in conjugation, biofilm formation, and virulence.
Elife, 12, 2023
8CXD
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BU of 8cxd by Molmil
Crystal Structure of EcDsbA in a complex with phenylmethanol
Descriptor: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, phenylmethanol
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-05-20
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8CXE
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BU of 8cxe by Molmil
Crystal Structure of EcDsbA in a complex with 1H-imidazole
Descriptor: IMIDAZOLE, Thiol:disulfide interchange protein DsbA
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-05-20
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8CZM
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BU of 8czm by Molmil
Crystal Structure of EcDsbA in a complex with 4-bromo-1H-pyrazole
Descriptor: 4-bromo-1H-pyrazole, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-05-25
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8CZN
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BU of 8czn by Molmil
Crystal Structure of EcDsbA in a complex with 1H-pyrrole-3-carboxylic acid
Descriptor: 1H-pyrrole-3-carboxylic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-05-25
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
1DAG
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BU of 1dag by Molmil
DETHIOBIOTIN SYNTHETASE COMPLEXED WITH 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID AND 5'-ADENOSYL-METHYLENE-TRIPHOSPHATE
Descriptor: 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID, DETHIOBIOTIN SYNTHETASE, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Huang, W, Jia, J, Schneider, G, Lindqvist, Y.
Deposit date:1995-05-08
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Mechanism of an ATP-dependent carboxylase, dethiobiotin synthetase, based on crystallographic studies of complexes with substrates and a reaction intermediate.
Biochemistry, 34, 1995
1DAH
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BU of 1dah by Molmil
DETHIOBIOTIN SYNTHETASE COMPLEXED WITH 7,8-DIAMINO-NONANOIC ACID, 5'-ADENOSYL-METHYLENE-TRIPHOSPHATE, AND MANGANESE
Descriptor: 7,8-DIAMINO-NONANOIC ACID, DETHIOBIOTIN SYNTHETASE, MANGANESE (II) ION, ...
Authors:Huang, W, Jia, J, Schneider, G, Lindqvist, Y.
Deposit date:1995-05-08
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Mechanism of an ATP-dependent carboxylase, dethiobiotin synthetase, based on crystallographic studies of complexes with substrates and a reaction intermediate.
Biochemistry, 34, 1995
1DPI
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BU of 1dpi by Molmil
STRUCTURE OF LARGE FRAGMENT OF ESCHERICHIA COLI DNA POLYMERASE I COMPLEXED WITH D/TMP
Descriptor: DNA POLYMERASE I KLENOW FRAGMENT, ZINC ION
Authors:Beese, L, Ollis, D, Steitz, T.
Deposit date:1987-08-11
Release date:1987-10-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of large fragment of Escherichia coli DNA polymerase I complexed with dTMP.
Nature, 313, 1985
1DLS
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BU of 1dls by Molmil
METHOTREXATE-RESISTANT VARIANTS OF HUMAN DIHYDROFOLATE REDUCTASE WITH SUBSTITUTION OF LEUCINE 22: KINETICS, CRYSTALLOGRAPHY AND POTENTIAL AS SELECTABLE MARKERS
Descriptor: DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.
Deposit date:1995-01-25
Release date:1995-04-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Methotrexate-resistant variants of human dihydrofolate reductase with substitutions of leucine 22. Kinetics, crystallography, and potential as selectable markers.
J.Biol.Chem., 270, 1995
1DAE
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BU of 1dae by Molmil
DETHIOBIOTIN SYNTHETASE COMPLEXED WITH 3-(1-AMINOETHYL) NONANEDIOIC ACID
Descriptor: 3-(1-AMINOETHYL)NONANEDIOIC ACID, DETHIOBIOTIN SYNTHETASE
Authors:Huang, W, Jia, J, Schneider, G, Lindqvist, Y.
Deposit date:1995-05-08
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism of an ATP-dependent carboxylase, dethiobiotin synthetase, based on crystallographic studies of complexes with substrates and a reaction intermediate.
Biochemistry, 34, 1995
1DAD
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BU of 1dad by Molmil
DETHIOBIOTIN SYNTHETASE COMPLEXED WITH ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DETHIOBIOTIN SYNTHETASE
Authors:Huang, W, Jia, J, Schneider, G, Lindqvist, Y.
Deposit date:1995-05-08
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mechanism of an ATP-dependent carboxylase, dethiobiotin synthetase, based on crystallographic studies of complexes with substrates and a reaction intermediate.
Biochemistry, 34, 1995
1DAF
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BU of 1daf by Molmil
DETHIOBIOTIN SYNTHETASE COMPLEXED WITH 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID, ADP, AND CALCIUM
Descriptor: 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Huang, W, Jia, J, Schneider, G, Lindqvist, Y.
Deposit date:1995-05-08
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism of an ATP-dependent carboxylase, dethiobiotin synthetase, based on crystallographic studies of complexes with substrates and a reaction intermediate.
Biochemistry, 34, 1995
1ECE
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BU of 1ece by Molmil
ACIDOTHERMUS CELLULOLYTICUS ENDOCELLULASE E1 CATALYTIC DOMAIN IN COMPLEX WITH A CELLOTETRAOSE
Descriptor: ENDOCELLULASE E1, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Sakon, J, Thomas, S.R, Himmel, M.E, Karplus, P.A.
Deposit date:1996-04-04
Release date:1996-10-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of thermostable family 5 endocellulase E1 from Acidothermus cellulolyticus in complex with cellotetraose.
Biochemistry, 35, 1996
2XDE
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BU of 2xde by Molmil
Crystal structure of the complex of PF-3450074 with an engineered HIV capsid N terminal domain
Descriptor: GAG POLYPROTEIN, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE
Authors:Brown, D.G, Irving, S.L, Anderson, M, Bazin, R.
Deposit date:2010-04-30
Release date:2010-12-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:HIV Capsid is a Tractable Target for Small Molecule Therapeutic Intervention.
Plos Pathog., 6, 2010

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