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7Q0Z
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BU of 7q0z by Molmil
Crystal structure of CTX-M-14
Descriptor: Beta-lactamase, GLYCEROL, SULFATE ION
Authors:Werner, N, Perbandt, M, Hinrichs, W, Prester, A, Rohde, H, Aepfelbacher, M, Betzel, C.
Deposit date:2021-10-17
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural basis to repurpose boron-based proteasome inhibitors Bortezomib and Ixazomib as beta-lactamase inhibitors.
Sci Rep, 12, 2022
6RI0
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BU of 6ri0 by Molmil
Single crystal serial study of the inhibition of laccases from Steccherinum murashkinskyi by chloride anions at sub-atomic resolution. Ninth structure of the series with 1215 KGy dose.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ...
Authors:Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N.
Deposit date:2019-04-23
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1 Å)
Cite:The subatomic resolution study of laccase inhibition by chloride and fluoride anions using single-crystal serial crystallography: insights into the enzymatic reaction mechanism.
Acta Crystallogr D Struct Biol, 75, 2019
6IFP
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BU of 6ifp by Molmil
X-ray Crystal Structure of Pseudoazurin Met16Ile Variant
Descriptor: COPPER (II) ION, Pseudoazurin
Authors:Sakai, C, Yamaguchi, T, Kohzuma, T.
Deposit date:2018-09-20
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:X-ray Crystal Structure of Pseudoazurin Met16Leu Variant
To Be Published
6TVI
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BU of 6tvi by Molmil
Salmonella typhimurium mutant neuraminidase (D100S)+ DANA
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, GLYCEROL, Sialidase
Authors:Garman, E.F, Salinger, M.T, Murray, J.W, Laver, W.G, Kuhn, P, Vimr, E.R.
Deposit date:2020-01-09
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1 Å)
Cite:Salmonella typhimurium mutant neuraminidase (D100S)+ DANA
To Be Published
7CSN
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BU of 7csn by Molmil
Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.00 A resolution
Descriptor: Peptidyl-tRNA hydrolase
Authors:Viswanathan, V, Sharma, P, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2020-08-15
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1 Å)
Cite:Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.00 A resolution
To Be Published
3VRC
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BU of 3vrc by Molmil
Crystal structure of cytochrome c' from Thermochromatium tepidum
Descriptor: CADMIUM ION, CHLORIDE ION, Cytochrome c', ...
Authors:Hirano, Y, Kimura, Y, Suzuki, H, Miki, K, Wang, Z.-Y.
Deposit date:2012-04-09
Release date:2012-09-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structure Analysis and Comparative Characterization of the Cytochrome c' and Flavocytochrome c from Thermophilic Purple Photosynthetic Bacterium Thermochromatium tepidum
Biochemistry, 51, 2012
6QLN
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BU of 6qln by Molmil
Galectin-3C in complex with fluoroaryl triazole monothiogalactoside derivative 2
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3
Authors:Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
Deposit date:2019-02-01
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
8C10
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BU of 8c10 by Molmil
Biochemical and structural characterisation of an alkaline family GH5 cellulase from a shipworm symbiont
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GH5 Cellulase, ...
Authors:Leiros, I, Vaaje-Kolstad, G.
Deposit date:2022-12-19
Release date:2023-04-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1 Å)
Cite:Biochemical and structural characterisation of a family GH5 cellulase from endosymbiont of shipworm P. megotara.
Biotechnol Biofuels Bioprod, 16, 2023
5LJT
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BU of 5ljt by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 4-((1-phenyl-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide inhibitor
Descriptor: 4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Ferraroni, M, Supuran, C.
Deposit date:2016-07-19
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1 Å)
Cite:Benzenesulfonamides Incorporating Flexible Triazole Moieties Are Highly Effective Carbonic Anhydrase Inhibitors: Synthesis and Kinetic, Crystallographic, Computational, and Intraocular Pressure Lowering Investigations.
J. Med. Chem., 59, 2016
8OKQ
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BU of 8okq by Molmil
Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI_2
Descriptor: Carbonic anhydrase 2, ZINC ION, [(3~{S},8~{R},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate
Authors:Brynda, J, Rezacova, P.M, Kudova, E.
Deposit date:2023-03-29
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1 Å)
Cite:Carbonic Anhydrase in Complex with Steriod_Sulphamoyl
To Be Published
7RVG
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BU of 7rvg by Molmil
Segment from rabbit/pig prion protein 168-176 QYSNQNSFV
Descriptor: Major prion protein
Authors:Glynn, C, Rodriguez, J.A, Hernandez, E.
Deposit date:2021-08-18
Release date:2022-08-24
Last modified:2024-05-22
Method:ELECTRON CRYSTALLOGRAPHY (1 Å)
Cite:Structural and Biophysical Consequences of Sequence Variation in the B2a2 Loop of Mammalian Prions
To be published
7ZAJ
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BU of 7zaj by Molmil
BRD4 in complex with FragLite16
Descriptor: 4-bromanyl-1,8-naphthyridine, GLYCEROL, Isoform C of Bromodomain-containing protein 4
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-03-22
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7RVL
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BU of 7rvl by Molmil
Segment from the Y169F mutant of the human prion protein 168-176 EFSNQNNFV
Descriptor: Major prion protein
Authors:Glynn, C, Rodriguez, J.A, Hernandez, E.
Deposit date:2021-08-18
Release date:2022-08-24
Last modified:2024-05-22
Method:ELECTRON CRYSTALLOGRAPHY (1 Å)
Cite:Structural and Biophysical Consequences of Sequence Variation in the B2a2 Loop of Mammalian Prions
To be published
7RVF
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BU of 7rvf by Molmil
Segment from the Y169F mutant of the bank vole prion protein 168-176 QFNNQNNFV
Descriptor: Major prion protein
Authors:Glynn, C, Rodriguez, J.A, Hernandez, E.
Deposit date:2021-08-18
Release date:2022-08-24
Last modified:2024-05-22
Method:ELECTRON CRYSTALLOGRAPHY (1 Å)
Cite:Structural and Biophysical Consequences of Sequence Variation in the B2a2 Loop of Mammalian Prions
To be published
7RVK
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BU of 7rvk by Molmil
Segment from Y169G mutant of the human prion protein 169-175 GSNQNNF
Descriptor: ACETATE ION, Major prion protein, ZINC ION
Authors:Glynn, C, Rodriguez, J.A, Hernandez, E.
Deposit date:2021-08-18
Release date:2022-08-24
Last modified:2024-05-22
Method:ELECTRON CRYSTALLOGRAPHY (1 Å)
Cite:Structural and Biophysical Consequences of Sequence Variation in the B2a2 Loop of Mammalian Prions
To be published
7RVJ
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BU of 7rvj by Molmil
Segment from the human prion protein 169-175 YSNQNNF
Descriptor: Major prion protein
Authors:Glynn, C, Rodriguez, J.A, Hernandez, E.
Deposit date:2021-08-18
Release date:2022-08-24
Last modified:2024-05-22
Method:ELECTRON CRYSTALLOGRAPHY (1 Å)
Cite:Structural and Biophysical Consequences of Sequence Variation in the B2a2 Loop of Mammalian Prions
To be published
1SY3
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BU of 1sy3 by Molmil
1.00 A Crystal Structure of D30N Mutant of Nitrophorin 4 from Rhodnius Prolixus Complexed with Nitric Oxide
Descriptor: NITRIC OXIDE, Nitrophorin 4, PHOSPHATE ION, ...
Authors:Maes, E.M, Weichsel, A, Andersen, J.F, Shepley, D, Montfort, W.R.
Deposit date:2004-03-31
Release date:2004-06-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1 Å)
Cite:Role of binding site loops in controlling nitric oxide release: structure and kinetics of mutant forms of nitrophorin 4
Biochemistry, 43, 2004
2AT8
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BU of 2at8 by Molmil
0.96 A Crystal Structure Of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) 2,4 Dimethyl Deuteroporphyrin IX Complexed With Nitric Oxide at pH 5.6
Descriptor: FE(III) 2,4-DIMETHYL DEUTEROPORPHYRIN IX, NITRIC OXIDE, Nitrophorin 4, ...
Authors:Amoia, A.M, Montfort, W.R.
Deposit date:2005-08-24
Release date:2006-08-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1 Å)
Cite:Heme distortion in nitrophorin 4: high resolution structures of mutated positions L123V and L133V and heme altered proteins
To be Published
6UKF
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BU of 6ukf by Molmil
HhaI endonuclease in Complex with DNA at 1 Angstrom Resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2019-10-04
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom.
Nucleic Acids Res., 48, 2020
2IDS
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BU of 2ids by Molmil
Structure of M98A mutant of amicyanin, Cu(I)
Descriptor: Amicyanin, COPPER (I) ION
Authors:Carrell, C.J, Ma, J.K, Antholine, W, Hosler, J.P, Mathews, F.S, Davidson, V.L.
Deposit date:2006-09-15
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1 Å)
Cite:Generation of Novel Copper Sites by Mutation of the Axial Ligand of Amicyanin. Atomic Resolution Structures and Spectroscopic Properties
Biochemistry, 46, 2007
5B5H
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BU of 5b5h by Molmil
Hydrophobic ice-binding site confer hyperactivity on antifreeze protein from a snow mold fungus
Descriptor: Antifreeze protein, SODIUM ION, SULFATE ION
Authors:Cheng, J, Hanada, Y, Miura, A, Tsuda, S, Kondo, H.
Deposit date:2016-05-06
Release date:2016-09-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1 Å)
Cite:Hydrophobic ice-binding sites confer hyperactivity of an antifreeze protein from a snow mold fungus.
Biochem.J., 473, 2016
5ZX8
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BU of 5zx8 by Molmil
Crystal structure of peptidyl-tRNA hydrolase from Thermus thermophilus
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CITRATE ANION, Peptidyl-tRNA hydrolase
Authors:Matsumoto, A, Uehara, U, Shimizu, Y, Ueda, T, Uchiumi, T, Ito, K.
Deposit date:2018-05-18
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:High-resolution crystal structure of peptidyl-tRNA hydrolase from Thermus thermophilus.
Proteins, 87, 2019
3VHG
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BU of 3vhg by Molmil
Recombinant thaumatin I at PH 8.0
Descriptor: GLYCEROL, Thaumatin I
Authors:Masuda, T, Mikami, B, Kitabatake, N, Tani, F.
Deposit date:2011-08-24
Release date:2012-08-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1 Å)
Cite:Recombinat thaumatin I at pH 8.0
To be Published
6X7T
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BU of 6x7t by Molmil
Allose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain
Descriptor: Antifreeze protein, CALCIUM ION, alpha-D-allofuranose, ...
Authors:Guo, S, Davies, P.L.
Deposit date:2020-05-30
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Mbio, 12, 2021
6X9M
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BU of 6x9m by Molmil
3-O-methyl-glucose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain
Descriptor: 1,2-ETHANEDIOL, 3-O-methyl-beta-D-glucopyranose, Antifreeze protein, ...
Authors:Guo, S, Davies, P.L.
Deposit date:2020-06-03
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Mbio, 12, 2021

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PDB entries from 2024-08-14

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