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5M24
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BU of 5m24 by Molmil
RARg mutant-S371E
Descriptor: (9cis)-retinoic acid, CHLORIDE ION, DODECYL-ALPHA-D-MALTOSIDE, ...
Authors:Rochel, N, Sirigu, S.
Deposit date:2016-10-11
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Allosteric Regulation in the Ligand Binding Domain of Retinoic Acid Receptor gamma.
PLoS ONE, 12, 2017
7LR9
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BU of 7lr9 by Molmil
Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed imipenem
Descriptor: (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC
Authors:Furey, I, Palzkill, T, Hu, L, Prasad, B.V.V.
Deposit date:2021-02-16
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal structure of KPC-2 T215P mutant
To Be Published
7USP
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BU of 7usp by Molmil
Crystal Structure of Caspase-3 with Peptide Inhibitor AcITV(Orn)D-CHO
Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcITV(Orn)D-CHO
Authors:Fuller, J.L, Finzel, B.C.
Deposit date:2022-04-25
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
7BB0
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BU of 7bb0 by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with NAT22-366511 and PKI (5-24)
Descriptor: (R)-3,3-dimethyl-5-oxo-5-(6-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)pentanoic acid, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Oebbeke, M, Mueller, J, Glinca, S, Heine, A, Klebe, G.
Deposit date:2020-12-16
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the cAMP-dependent protein kinase A cocrystallized with NAT22-366511 and PKI (5-24)
To Be Published
5M4F
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BU of 5m4f by Molmil
Complex structure of human protein kinase CK2 catalytic subunit with the inhibitor 4'-carboxy-6,8-chloro-flavonol (FLC21) crystallized under low-salt conditions
Descriptor: 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha, ...
Authors:Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O.
Deposit date:2016-10-18
Release date:2017-01-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.519 Å)
Cite:Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor.
Pharmaceuticals, 10, 2017
7UBU
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BU of 7ubu by Molmil
Crystal structure of ZMET2 in complex with hemimethylated CAG DNA and a histone H3Kc9me2 peptide
Descriptor: 5MC SSDNA, C49 SSDNA, DNA (cytosine-5)-methyltransferase 1, ...
Authors:Fang, J, Song, J.
Deposit date:2022-03-15
Release date:2022-06-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Mechanistic basis for maintenance of CHG DNA methylation in plants.
Nat Commun, 13, 2022
2NS8
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BU of 2ns8 by Molmil
How an in vitro selected peptide mimics the antibiotic tetracycline to induce TET repressor
Descriptor: 16 residue peptide Tip (Transcription inducing peptide), Tetracycline repressor protein
Authors:Luckner, S.R, Klotzsche, M, Berens, C, Hillen, W, Muller, Y.A.
Deposit date:2006-11-03
Release date:2007-07-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:How an agonist peptide mimics the antibiotic tetracycline to induce Tet-repressor
J.Mol.Biol., 368, 2007
7UGG
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BU of 7ugg by Molmil
Cryo-EM structure of TRPV3 in complex with the anesthetic dyclonine
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Dyclonine, SODIUM ION, ...
Authors:Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
Deposit date:2022-03-24
Release date:2022-06-08
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural mechanism of TRPV3 channel inhibition by the anesthetic dyclonine.
Nat Commun, 13, 2022
7R5Z
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BU of 7r5z by Molmil
Monocot chimeric jacalin JAC1 from Oryza sativa: dirigent domain (crystal form 1)
Descriptor: CALCIUM ION, CHLORIDE ION, Dirigent protein
Authors:Huwa, N, Classen, T, Weiergraeber, O.H.
Deposit date:2022-02-12
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Crystal Structure of the Defense Conferring Rice Protein Os JAC1 Reveals a Carbohydrate Binding Site on the Dirigent-like Domain.
Biomolecules, 12, 2022
5M1W
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BU of 5m1w by Molmil
Structure of a stable G-hairpin
Descriptor: DNA (5'-D(*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*G)-3')
Authors:Gajarsky, M, Zivkovic, M.L, Stadlbauer, P, Pagano, B, Fiala, R, Amato, J, Tomaska, L, Sponer, J, Plavec, J, Trantirek, L.
Deposit date:2016-10-11
Release date:2017-03-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of a Stable G-Hairpin.
J. Am. Chem. Soc., 139, 2017
7UE9
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BU of 7ue9 by Molmil
Structure of anti-C3d Fab(3d8b) in complex with C3d
Descriptor: Complement C3dg fragment, Fab heavy chain, Fab light chain, ...
Authors:Olland, A.M, White, A, Suto, R.K.
Deposit date:2022-03-21
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development and Optimization of Bifunctional Fusion Proteins to Locally Modulate Complement Activation in Diseased Tissue.
Front Immunol, 13, 2022
3HSO
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BU of 3hso by Molmil
Ternary structure of neuronal nitric oxide synthase with NHA and NO bound(1)
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-OMEGA-HYDROXY-L-ARGININE, ...
Authors:Doukov, T, Li, H, Soltis, M, Poulos, T.L.
Deposit date:2009-06-10
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Single crystal structural and absorption spectral characterizations of nitric oxide synthase complexed with N(omega)-hydroxy-L-arginine and diatomic ligands.
Biochemistry, 48, 2009
7D6R
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BU of 7d6r by Molmil
Crystal structure of the Stx2a complexed with MMA betaAla peptide
Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, MMA betaAla peptide, Shiga toxin 2 B subunit, ...
Authors:Takahashi, M, Tamada, M, Hibino, M, Senda, M, Okuda, A, Miyazawa, A, Senda, T, Nishikawa, K.
Deposit date:2020-10-01
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of a peptide motif that potently inhibits two functionally distinct subunits of Shiga toxin.
Commun Biol, 4, 2021
7BE8
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BU of 7be8 by Molmil
Escherichia coli YtfE (Mn)
Descriptor: GLYCEROL, Iron-sulfur cluster repair protein YtfE, MANGANESE (II) ION, ...
Authors:Silva, L.S.O, Matias, P.M, Romao, C.V, Saraiva, L.M.
Deposit date:2020-12-22
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Repair of Iron Center Proteins-A Different Class of Hemerythrin-like Proteins.
Molecules, 27, 2022
5M47
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BU of 5m47 by Molmil
Crystal structure of DapF from Corynebacterium glutamicum in complex with D,L-diaminopimelate
Descriptor: 2,6-DIAMINOPIMELIC ACID, Diaminopimelate epimerase
Authors:Sagong, H.-Y, Kim, K.-J.
Deposit date:2016-10-18
Release date:2016-11-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural basis for redox sensitivity in Corynebacterium glutamicum diaminopimelate epimerase: an enzyme involved in l-lysine biosynthesis.
Sci Rep, 7, 2017
3HTA
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BU of 3hta by Molmil
Crystal structure of multidrug binding protein EbrR complexed with imidazole
Descriptor: EbrA repressor, IMIDAZOLE
Authors:Dong, J, Ni, L, Schumacher, M, Brennan, R.
Deposit date:2009-06-11
Release date:2010-07-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural plasticity is key to multiple ligand binding by the multidrug binding regulator EbrR
To be Published
3APR
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BU of 3apr by Molmil
BINDING OF A REDUCED PEPTIDE INHIBITOR TO THE ASPARTIC PROTEINASE FROM RHIZOPUS CHINENSIS. IMPLICATIONS FOR A MECHANISM OF ACTION
Descriptor: REDUCED PEPTIDE INHIBITOR, RHIZOPUSPEPSIN
Authors:Suguna, K, Davies, D.R.
Deposit date:1987-06-22
Release date:1988-01-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of a reduced peptide inhibitor to the aspartic proteinase from Rhizopus chinensis: implications for a mechanism of action.
Proc.Natl.Acad.Sci.USA, 84, 1987
3ASP
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BU of 3asp by Molmil
Crystal structure of P domain from Norovirus Funabashi258 stain in the complex with A-antigen
Descriptor: Capsid protein, SODIUM ION, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Kubota, T, Kumagai, A, Itoh, H, Furukawa, S, Narimatsu, H, Wakita, T, Ishii, K, Takeda, N, Someya, Y, Shirato, H.
Deposit date:2010-12-17
Release date:2012-01-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the recognition of Lewis antigens by genogroup I norovirus
J.Virol., 86, 2012
5M4I
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BU of 5m4i by Molmil
Complex structure of human protein kinase CK2 catalytic subunit with the inhibitor 4'-carboxy-6,8-chloro-flavonol (FLC21) crystallized under high-salt conditions
Descriptor: 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha
Authors:Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O.
Deposit date:2016-10-18
Release date:2017-01-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.218 Å)
Cite:Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor.
Pharmaceuticals, 10, 2017
2NUX
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BU of 2nux by Molmil
2-keto-3-deoxygluconate aldolase from Sulfolobus acidocaldarius, native structure in p6522 at 2.5 A resolution
Descriptor: 2-keto-3-deoxygluconate/2-keto-3-deoxy-6-phospho gluconate aldolase, MAGNESIUM ION
Authors:van Eerde, A, Dijkstra, B.W.
Deposit date:2006-11-10
Release date:2007-04-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Biochemical and structural exploration of the catalytic capacity of Sulfolobus KDG aldolases
Biochem.J., 403, 2007
2JRO
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BU of 2jro by Molmil
Solution NMR Structure of SO0334 from Shewanella oneidensis. Northeast Structural Genomics Target SoR75
Descriptor: Uncharacterized protein
Authors:Tang, Y, Wang, D, Nwosu, C, Cunningham, K, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-06-28
Release date:2007-08-21
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Structure of SO0334 from Shewanella oneidensis.
To be Published
3APZ
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BU of 3apz by Molmil
Apo form of Arabidopsis medium/long-chain length prenyl pyrophosphate synthase
Descriptor: Geranyl diphosphate synthase
Authors:Hsieh, F.-L, Chang, T.-H, Ko, T.-P, Wang, A.H.-J.
Deposit date:2010-10-24
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and mechanism of an Arabidopsis medium/long-chain-length prenyl pyrophosphate synthase
Plant Physiol., 155, 2011
2NVA
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BU of 2nva by Molmil
The X-ray crystal structure of the Paramecium bursaria Chlorella virus arginine decarboxylase bound to agmatine
Descriptor: (4-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, arginine decarboxylase, A207R protein
Authors:Shah, R.H, Akella, R, Goldsmith, E, Phillips, M.A.
Deposit date:2006-11-11
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray Structure of Paramecium bursaria Chlorella Virus Arginine Decarboxylase: Insight into the Structural Basis for Substrate Specificity.
Biochemistry, 46, 2007
7DBI
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BU of 7dbi by Molmil
Crystal structure of the peroxisomal acyl-CoA hydrolase MpaH
Descriptor: acyl-CoA hydrolase MpaH'
Authors:Li, S.Y, You, C.
Deposit date:2020-10-20
Release date:2021-04-28
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural basis for substrate specificity of the peroxisomal acyl-CoA hydrolase MpaH' involved in mycophenolic acid biosynthesis.
Febs J., 288, 2021
7R1O
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BU of 7r1o by Molmil
p62-ZZ domain of the human sequestosome in complex with dusquetide
Descriptor: Dusquetide, Sequestosome-1, ZINC ION
Authors:Hakansson, M, Hansson, M, Logan, D.T, Rozek, A, Donini, O.
Deposit date:2022-02-03
Release date:2022-05-18
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Dusquetide modulates innate immune response through binding to p62.
Structure, 30, 2022

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