5J4T
 
 | | Structure of tetrameric jacalin complexed with GlcNAc beta-(1,3) Gal-beta-OMe | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-methyl beta-D-galactopyranoside, Agglutinin alpha chain, ... | | Authors: | Abhinav, K.V, Sharma, K, Surolia, A, Vijayan, M. | | Deposit date: | 2016-04-01 | | Release date: | 2017-02-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Distortion of the ligand molecule as a strategy for modulating binding affinity: Further studies involving complexes of jacalin with beta-substituted disaccharides.
IUBMB Life, 69, 2017
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8AR8
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7QNI
 | | CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT L259V | | Descriptor: | CITRIC ACID, Lactaldehyde reductase | | Authors: | Sridhar, S, Kiema, T.R, Wierenga, R.K, Widersten, M. | | Deposit date: | 2021-12-20 | | Release date: | 2022-10-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structures of lactaldehyde reductase, FucO, link enzyme activity to hydrogen bond networks and conformational dynamics.
Febs J., 290, 2023
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8CXC
 | | Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics | | Descriptor: | 3F2 Antibody heavy chain, 3F2 Antibody light chain, Mesothelin, ... | | Authors: | Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E. | | Deposit date: | 2022-05-20 | | Release date: | 2023-06-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (4.31 Å) | | Cite: | Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
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5T71
 | | Human carboanhydrase F131C_C206S double mutant in complex with SA-2 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(HYDROXYMERCURY)BENZOIC ACID, 4-[(E)-diazenyl]benzene-1-sulfonamide, ... | | Authors: | DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. | | Deposit date: | 2016-09-02 | | Release date: | 2017-09-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity.
ACS Chem. Biol., 13, 2018
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5J5I
 | | X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol, Acetylcholine-binding protein, ... | | Authors: | Kaczanowska, K, Harel, M, Camacho Hernandez, G.A, Taylor, P. | | Deposit date: | 2016-04-02 | | Release date: | 2017-03-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.326 Å) | | Cite: | Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.
J. Am. Chem. Soc., 139, 2017
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5GSM
 | | Glycoside hydrolase B with product | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Watanabe, M, Kamachi, S, Mine, S. | | Deposit date: | 2016-08-16 | | Release date: | 2017-02-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Glycoside hydrolase B with product
To Be Published
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5T78
 | | Crystal structure of therapeutic mAB AR20.5 in complex with MUC1 peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, Fab Fragment - AR20.5 - Heavy chain, Fab fragment AR20.5 - Light Chain, ... | | Authors: | Brooks, C.L, Movahedin, M. | | Deposit date: | 2016-09-02 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Glycosylation of MUC1 influences the binding of a therapeutic antibody by altering the conformational equilibrium of the antigen.
Glycobiology, 27, 2017
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7QEA
 | | Crystal structure of fluorescein-di-Beta-D-glucuronide bound to a mutant of SN243 (D415A) | | Descriptor: | (2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(1~{R})-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-oxane-2-carboxylic acid, ACETATE ION, SN243, ... | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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5T7K
 | | X-ray crystal structure of AA13 LPMO | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, ZINC ION | | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Tovborg, M, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2016-09-05 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Learning from oligosaccharide soaks of crystals of an AA13 lytic polysaccharide monooxygenase: crystal packing, ligand binding and active-site disorder.
Acta Crystallogr D Struct Biol, 73, 2017
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7QNJ
 | | CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT F254I COMPLEXED WITH FE, NAD+, AND GLYCEROL | | Descriptor: | FE (III) ION, GLYCEROL, Lactaldehyde reductase, ... | | Authors: | Sridhar, S, Kiema, T.R, Wierenga, R.K, Widersten, M. | | Deposit date: | 2021-12-20 | | Release date: | 2022-10-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structures of lactaldehyde reductase, FucO, link enzyme activity to hydrogen bond networks and conformational dynamics.
Febs J., 290, 2023
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5TAC
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7QG4
 | | Apo crystal structure of a mutant of SN243 (D415N) | | Descriptor: | SN243, SULFATE ION, ZINC ION | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-07 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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8CYH
 | | Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, A12 antibody heavy chain, A12 antibody light chain, ... | | Authors: | Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E. | | Deposit date: | 2022-05-23 | | Release date: | 2023-06-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.38 Å) | | Cite: | Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
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5T63
 | | The HhoA protease from Synechocystis sp. PCC 6803 | | Descriptor: | ALA-ALA-ALA-ALA, MAGNESIUM ION, Putative serine protease HhoA | | Authors: | Persson, K, Hall, M, Funk, C. | | Deposit date: | 2016-09-01 | | Release date: | 2017-01-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The HhoA protease from Synechocystis sp. PCC 6803 - Novel insights into structure and activity regulation.
J. Struct. Biol., 198, 2017
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4LA5
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5TDW
 | | Set3 PHD finger in complex with histone H3K4me3 | | Descriptor: | SET domain-containing protein 3, SODIUM ION, ZINC ION, ... | | Authors: | Andrews, F.H, Ali, M, Kutateladze, T.G. | | Deposit date: | 2016-09-19 | | Release date: | 2016-10-19 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Insight into Recognition of Methylated Histone H3K4 by Set3.
J. Mol. Biol., 429, 2017
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7QEF
 | | Crystal structure of para-nitrophenyl-Beta-D-glucuronide bound to a mutant of SN243 (D415A) | | Descriptor: | 4-nitrophenyl beta-D-glucopyranosiduronic acid, ACETATE ION, SN243, ... | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-02 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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3AOX
 | | X-ray crystal structure of human anaplastic lymphoma kinase in complex with CH5424802 | | Descriptor: | 1,2-ETHANEDIOL, 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile, ALK tyrosine kinase receptor | | Authors: | Nagel, S, Moertl, M, Jestel, A, Fukami, T.A. | | Deposit date: | 2010-10-08 | | Release date: | 2011-05-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | CH5424802, a selective ALK inhibitor capable of blocking the resistant gatekeeper mutant
Cancer Cell, 19, 2011
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5T69
 | | The HhoA protease from Synechocystis sp. PCC 6803, active site mutant | | Descriptor: | ACETATE ION, MAGNESIUM ION, Putative serine protease HhoA | | Authors: | Persson, K, Hall, M, Funk, C. | | Deposit date: | 2016-09-01 | | Release date: | 2017-01-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The HhoA protease from Synechocystis sp. PCC 6803 - Novel insights into structure and activity regulation.
J. Struct. Biol., 198, 2017
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8CZ8
 | | Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics | | Descriptor: | Mesothelin, cleaved form, SULFATE ION, ... | | Authors: | Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E. | | Deposit date: | 2022-05-24 | | Release date: | 2023-06-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
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5GO8
 | | Linear tetra-ubiquitin | | Descriptor: | D-ubiquitin, ubiquitin | | Authors: | Gao, S, Pan, M, Zheng, Y. | | Deposit date: | 2016-07-26 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
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1BK5
 | | KARYOPHERIN ALPHA FROM SACCHAROMYCES CEREVISIAE | | Descriptor: | COBALT (II) ION, KARYOPHERIN ALPHA | | Authors: | Conti, E, Uy, M, Leighton, L, Blobel, G, Kuriyan, J. | | Deposit date: | 1998-07-14 | | Release date: | 1999-01-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic analysis of the recognition of a nuclear localization signal by the nuclear import factor karyopherin alpha.
Cell(Cambridge,Mass.), 94, 1998
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5T6O
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5GOD
 | | Lys27-linked di-ubiquitin | | Descriptor: | D-ubiquitin, MAGNESIUM ION, Ubiquitin | | Authors: | Gao, S, Pan, M, Zheng, Y. | | Deposit date: | 2016-07-26 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
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