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6P9L
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BU of 6p9l by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with JFX
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, 4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide, GLYCEROL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
4Z4Y
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BU of 4z4y by Molmil
Crystal structure of GII.10 P domain in complex with 7.5mM B antigen (trisaccharide)
Descriptor: 1,2-ETHANEDIOL, Capsid protein, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose
Authors:Leuthold, M.M, Koromyslova, A.D, Hansman, G.S.
Deposit date:2015-04-02
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
8DQI
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BU of 8dqi by Molmil
Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to ATP and acridone after 2- weeks of crystal growth
Descriptor: (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B.
Deposit date:2022-07-19
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity.
Acs Chem.Biol., 17, 2022
6P9K
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BU of 6p9k by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with O6G
Descriptor: 3-oxoacyl-ACP synthase, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
8DQP
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BU of 8dqp by Molmil
Crystal structure of Arabidopsis thaliana COSY in complex with scopoletin
Descriptor: 1,2-ETHANEDIOL, 7-hydroxy-6-methoxy-2H-1-benzopyran-2-one, ACETATE ION, ...
Authors:Kim, C.Y, Mitchell, A.J, Gutierrez, M, Weng, J.K.
Deposit date:2022-07-19
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Emergence of a proton exchange-based isomerization and lactonization mechanism in the plant coumarin synthase COSY.
Nat Commun, 14, 2023
4Z4V
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BU of 4z4v by Molmil
Crystal structure of GII.10 P domain in complex with 19mM fucose
Descriptor: 1,2-ETHANEDIOL, Capsid protein, NITRATE ION, ...
Authors:Koromyslova, A.D, Leuthold, M.M, Hansman, G.S.
Deposit date:2015-04-02
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
7FYM
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BU of 7fym by Molmil
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 5-(3-bromo-4-methylphenyl)-3,3-dimethyl-5-oxopentanoic acid
Descriptor: 5-(3-bromo-4-methylphenyl)-3,3-dimethyl-5-oxopentanoic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
Authors:Ehler, A, Benz, J, Obst, U, Mohr, P, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
4Z4S
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BU of 4z4s by Molmil
Crystal structure of GII.10 P domain in complex with 150mM fucose
Descriptor: 1,2-ETHANEDIOL, Capsid protein, NITRATE ION, ...
Authors:Koromyslova, A.D, Leuthold, M.M, Hansman, G.S.
Deposit date:2015-04-02
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
5U35
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BU of 5u35 by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-METHOXYETHANOL, CHLORIDE ION, ...
Authors:Oberdorfer, G, Marcos, E, Basanta, B, Chidyausiku, T.M, Sankaran, B, Zwart, P.H, Baker, D.
Deposit date:2016-12-01
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
7FZU
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BU of 7fzu by Molmil
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid
Descriptor: 1,2-ETHANEDIOL, 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid, Fatty acid-binding protein, ...
Authors:Ehler, A, Benz, J, Obst, U, Ning, R, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
7G02
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BU of 7g02 by Molmil
Crystal Structure of human FABP4 in complex with 7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylic acid
Descriptor: (1M)-7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylic acid, 1,2-ETHANEDIOL, FORMIC ACID, ...
Authors:Ehler, A, Benz, J, Obst, U, Guthrie-Robert, W, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
6P77
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BU of 6p77 by Molmil
2.5 Angstrom structure of Caci_6494 from Catenulispora Acidiphila
Descriptor: Aromatic-ring-hydroxylating dioxygenase beta subunit, GLYCEROL, TETRAETHYLENE GLYCOL, ...
Authors:Vuksanovic, N, Silvaggi, N.R.
Deposit date:2019-06-05
Release date:2020-06-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structural characterization of three noncanonical NTF2-like superfamily proteins: implications for polyketide biosynthesis.
Acta Crystallogr.,Sect.F, 76, 2020
4ZML
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BU of 4zml by Molmil
Crystal structure of human P-cadherin (ss-dimer)
Descriptor: CALCIUM ION, CHLORIDE ION, Cadherin-3, ...
Authors:Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
Deposit date:2015-05-04
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
6VC9
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BU of 6vc9 by Molmil
TB19 complex
Descriptor: 1,2-ETHANEDIOL, 5'-nucleotidase, ecto (CD73), ...
Authors:Zhou, Y.F, Lord, D.M.
Deposit date:2019-12-20
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A highly potent CD73 biparatopic antibody blocks organization of the enzyme active site through dual mechanisms.
J.Biol.Chem., 295, 2020
4Z4Z
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BU of 4z4z by Molmil
Crystal structure of GII.10 P domain in complex with 30mM B antigen (trisaccharide)
Descriptor: 1,2-ETHANEDIOL, Capsid protein, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose
Authors:Leuthold, M.M, Koromyslova, A.D, Hansman, G.S.
Deposit date:2015-04-02
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
7FZT
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BU of 7fzt by Molmil
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with rac-(1R,2S)-2-[(3,4-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid
Descriptor: (1R,2S)-2-(3,4-dichlorobenzamido)cyclohexane-1-carboxylic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
Authors:Ehler, A, Benz, J, Obst, U, Buettelmann, B, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
1M0L
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BU of 1m0l by Molmil
BACTERIORHODOPSIN/LIPID COMPLEX AT 1.47 A RESOLUTION
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, BACTERIORHODOPSIN, ...
Authors:Lanyi, J.K.
Deposit date:2002-06-13
Release date:2002-09-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystallographic structure of the K intermediate of bacteriorhodopsin: conservation of free energy after photoisomerization of the retinal.
J.Mol.Biol., 321, 2002
6UWY
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BU of 6uwy by Molmil
DYRK1A bound to a harmine derivative
Descriptor: 4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, TETRAETHYLENE GLYCOL
Authors:Khamrui, S, Lazarus, M.B.
Deposit date:2019-11-05
Release date:2020-02-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Synthesis and Biological Validation of a Harmine-Based, Central Nervous System (CNS)-Avoidant, Selective, Human beta-Cell Regenerative Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase A (DYRK1A) Inhibitor.
J.Med.Chem., 63, 2020
2NYA
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BU of 2nya by Molmil
Crystal structure of the periplasmic nitrate reductase (NAP) from Escherichia coli
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM(VI) ION, ...
Authors:Jepson, B.J.N, Richardson, D.J, Hemmings, A.M.
Deposit date:2006-11-20
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Spectropotentiometric and structural analysis of the periplasmic nitrate reductase from Escherichia coli
J.Biol.Chem., 282, 2007
6O8N
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BU of 6o8n by Molmil
Crystal Structure of C9S tetrasulfide state of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
Descriptor: SULFATE ION, Transcriptional regulator, ArsR family
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
8G1N
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BU of 8g1n by Molmil
Structure of Campylobacter concisus PglC I57M/Q175M Variant with modeled C-terminus
Descriptor: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, MAGNESIUM ION, N,N'-diacetylbacilliosaminyl-1-phosphate transferase, ...
Authors:Dodge, G.J, Ray, L.C, Das, D, Imperiali, B, Allen, K.N.
Deposit date:2023-02-02
Release date:2023-05-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Co-conserved sequence motifs are predictive of substrate specificity in a family of monotopic phosphoglycosyl transferases.
Protein Sci., 32, 2023
4Z4U
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BU of 4z4u by Molmil
Crystal structure of GII.10 P domain in complex with 37.5mM fucose
Descriptor: 1,2-ETHANEDIOL, Capsid protein, beta-L-fucopyranose
Authors:Koromyslova, A.D, Leuthold, M.M, Hansman, G.S.
Deposit date:2015-04-02
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
5O6H
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BU of 5o6h by Molmil
Human NMT1 in complex with myristoyl-CoA and inhibitor IMP-917
Descriptor: 1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Brannigan, J.A, Wilkinson, A.J.
Deposit date:2017-06-06
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
6VC7
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BU of 6vc7 by Molmil
Structure of the F349A mutant of the periplasmic domain of YejM from Salmonella typhimurium
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOLAMINE, ...
Authors:Gabale, U, Ressl, S.
Deposit date:2019-12-20
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The essential inner membrane protein YejM is a metalloenzyme.
Sci Rep, 10, 2020
8TGF
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BU of 8tgf by Molmil
Crystal structure of cEPG5 LIR/LGG-1 complex
Descriptor: ACETATE ION, Ectopic P granules protein 5, Protein lgg-1
Authors:Cheung, Y.W.S, Yip, C.K.
Deposit date:2023-07-12
Release date:2024-07-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular basis of the mode of interaction between the tandem LC3-interacting region motif of the autophagy tethering factor EPG5 and ATG8 proteins
To be published

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