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7SSI
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BU of 7ssi by Molmil
CRYSTAL STRUCTURE OF THE DESK:DESR-Q10A COMPLEX IN THE PHOSPHOTRANSFER STATE
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor histidine kinase DesK, ...
Authors:Trajtenberg, F, Buschiazzo, A.
Deposit date:2021-11-11
Release date:2022-11-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:An allosteric switch ensures efficient unidirectional information transmission by the histidine kinase DesK from Bacillus subtilis.
Sci.Signal., 16, 2023
6V7Y
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BU of 6v7y by Molmil
Human CD1d presenting alpha-Galactosylceramide in complex with VHH nanobody 1D5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ...
Authors:Shahine, A, Rossjohn, J.
Deposit date:2019-12-10
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A single-domain bispecific antibody targeting CD1d and the NKT T-cell receptor induces a potent antitumor response.
Nat Cancer, 2020
7SUR
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BU of 7sur by Molmil
Two-state solution NMR structure of Pin1 bound to peptide pCDC25c
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Born, A, Vogeli, B.
Deposit date:2021-11-17
Release date:2022-08-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ligand-specific conformational change drives interdomain allostery in Pin1.
Nat Commun, 13, 2022
7SZ9
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BU of 7sz9 by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16:1-crypto Acyl Carrier Protein, AcpP
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-beta-alaninamide, ...
Authors:Mindrebo, J.T, Chen, A, Noel, J.P, Burkart, M.D.
Deposit date:2021-11-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism-based cross-linking probes capture the Escherichia coli ketosynthase FabB in conformationally distinct catalytic states.
Acta Crystallogr D Struct Biol, 78, 2022
6VCH
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BU of 6vch by Molmil
Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase in complex with 3-hydroxy-beta-apo-14'-carotenal
Descriptor: (2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal, CHLORIDE ION, COBALT (II) ION, ...
Authors:Daruwalla, A, Shi, W, Kiser, P.D.
Deposit date:2019-12-20
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
3NRT
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BU of 3nrt by Molmil
The crystal structure of putative ryanodine receptor from Bacteroides thetaiotaomicron VPI-5482
Descriptor: GLYCEROL, MAGNESIUM ION, Putative ryanodine receptor
Authors:Wu, R, Zhang, R, James, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-06-30
Release date:2010-09-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:he crystal strucutre of putative ryanodine receptor from Bacteroides thetaiotaomicron VPI-5482
To be Published
7SUQ
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BU of 7suq by Molmil
Two-state solution NMR structure of Pin1 bound to peptide FFpSPR
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Born, A, Vogeli, B.
Deposit date:2021-11-17
Release date:2022-08-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ligand-specific conformational change drives interdomain allostery in Pin1.
Nat Commun, 13, 2022
2MII
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BU of 2mii by Molmil
NMR structure of E. coli LpoB
Descriptor: Penicillin-binding protein activator LpoB
Authors:Jean, N.L, Egan, A.J.F, Koumoutsi, A, Bougault, C.M, Typas, A, Vollmer, W, Simorre, J.P.
Deposit date:2013-12-13
Release date:2014-05-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Outer-membrane lipoprotein LpoB spans the periplasm to stimulate the peptidoglycan synthase PBP1B.
Proc.Natl.Acad.Sci.USA, 111, 2014
6V1C
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BU of 6v1c by Molmil
Crystal structure of human trefoil factor 3 in complex with its cognate ligand
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, Trefoil factor 3
Authors:Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D.
Deposit date:2019-11-20
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Trefoil factors share a lectin activity that defines their role in mucus.
Nat Commun, 11, 2020
6STB
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BU of 6stb by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, Q64W mutant
Descriptor: Major strawberry allergen Fra a 1-2
Authors:Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
Deposit date:2019-09-10
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
6VFN
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BU of 6vfn by Molmil
Crystal structure of SpeG allosteric polyamine acetyltransferase from Bacillus thuringiensis in complex with spermine
Descriptor: SPERMINE, Spermidine N1-acetyltransferase
Authors:Tsimbalyuk, S, Shornikov, A, Le, V.T.B, Kuhn, M.L, Forwood, J.K.
Deposit date:2020-01-05
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:SpeG polyamine acetyltransferase enzyme from Bacillus thuringiensis forms a dodecameric structure and exhibits high catalytic efficiency.
J.Struct.Biol., 210, 2020
3OGZ
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BU of 3ogz by Molmil
Protein structure of USP from L. major in Apo-form
Descriptor: GLYCEROL, UDP-sugar pyrophosphorylase
Authors:Dickmanns, A, Damerow, S, Neumann, P, Schulz, E.-C, Lamerz, A, Routier, F, Ficner, R.
Deposit date:2010-08-17
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural basis for the broad substrate range of the UDP-sugar pyrophosphorylase from Leishmania major.
J.Mol.Biol., 405, 2011
6V4W
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BU of 6v4w by Molmil
The crystal structure of a beta-lactamase from Chitinophaga pinensis DSM 2588
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Beta-lactamase, ...
Authors:Tan, K, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-12-02
Release date:2019-12-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:The crystal structure of a beta-lactamase from Chitinophaga pinensis DSM 2588
To Be Published
6ST9
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BU of 6st9 by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, D48R mutant
Descriptor: CHLORIDE ION, Major strawberry allergen Fra a 1-2
Authors:Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
Deposit date:2019-09-10
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
7BCM
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BU of 7bcm by Molmil
The DDR1 Kinase Domain Bound To SR302
Descriptor: Epithelial discoidin domain-containing receptor 1, ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
Authors:Mathea, S, Chatterjee, D, Preuss, F, Roehm, S, Joerger, A, Knapp, S.
Deposit date:2020-12-20
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
6UY1
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BU of 6uy1 by Molmil
Crystal structure of the Sth1 bromodomain from Saccharomyces cerevisiae at 2.2 Angstrom resolution
Descriptor: MAGNESIUM ION, Nuclear protein STH1/NPS1
Authors:Stavropoulos, P, Hoelz, A.
Deposit date:2019-11-09
Release date:2019-12-04
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of the Sth1 bromodomain from Saccharomyces cerevisiae at 2.2 Angstrom resolution
To Be Published
6STA
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BU of 6sta by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, E46A D48A mutant
Descriptor: Major strawberry allergen Fra a 1-2
Authors:Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
Deposit date:2019-09-10
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
7BDQ
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BU of 7bdq by Molmil
MAPK14 bound with SR300
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ...
Authors:Schroeder, M, Roehm, S, Joerger, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-12-22
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
7BDO
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BU of 7bdo by Molmil
MAPK14 bound with SR302
Descriptor: Mitogen-activated protein kinase 14, ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
Authors:Schroeder, M, Roehm, S, Joerger, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-12-22
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
6V3U
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BU of 6v3u by Molmil
Crystal Structure of the NDM_FIM-1 like Metallo-beta-Lactamase from Erythrobacter litoralis in the Mono-Zinc Form
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase II, ISOPROPYL ALCOHOL, ...
Authors:Kim, Y, Maltseva, N, Mulligan, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-11-26
Release date:2020-01-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the NDM_FIM-1 like Metallo-beta-Lactamase from Erythrobacter litoralis in the Mono-Zinc Form
To Be Published
1SBD
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BU of 1sbd by Molmil
SOYBEAN AGGLUTININ COMPLEXED WITH 2,4-PENTASACCHARIDE
Descriptor: CALCIUM ION, MANGANESE (II) ION, SOYBEAN AGGLUTININ, ...
Authors:Dessen, A, Olsen, L.R, Gupta, D, Sabesan, S, Brewer, C.F, Sacchettini, J.C.
Deposit date:1995-07-13
Release date:1998-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:X-ray crystallographic studies of unique cross-linked lattices between four isomeric biantennary oligosaccharides and soybean agglutinin.
Biochemistry, 36, 1997
6V73
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BU of 6v73 by Molmil
Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis with beta mercaptoethanol in the active site
Descriptor: BETA-MERCAPTOETHANOL, Beta-lactamase II, CHLORIDE ION, ...
Authors:Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-12-06
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis with beta mercaptoethanol in the active site
To Be Published
6V78
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BU of 6v78 by Molmil
OmpK37 porin
Descriptor: OmpK37
Authors:Rocker, A, Lithgow, T.
Deposit date:2019-12-08
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Global Trends in Proteome Remodeling of the Outer Membrane Modulate Antimicrobial Permeability in Klebsiella pneumoniae.
Mbio, 11, 2020
6V7L
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BU of 6v7l by Molmil
The structure of the P212121 crystal form of canavalin at 173 K
Descriptor: BENZOIC ACID, Canavalin
Authors:McPherson, A.
Deposit date:2019-12-08
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding of benzoic acid and anions within the cupin domains of the vicilin protein canavalin from jack bean (Canavalia ensiformis): Crystal structures.
Biochem.Biophys.Res.Commun., 524, 2020
7BKG
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BU of 7bkg by Molmil
Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (2)
Descriptor: 5,6-dihydro-2-imino-2H,4H-thiazolo(5,4,3-IJ)quinoline, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Schreuder, H.A, Liesum, A.
Deposit date:2021-01-15
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.326 Å)
Cite:Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021

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