7NDH
 
 | | Crystal structure of ZC3H12C PIN domain | | Descriptor: | 1,2-ETHANEDIOL, Probable ribonuclease ZC3H12C, SODIUM ION | | Authors: | Garg, A, Heinemann, U. | | Deposit date: | 2021-02-01 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | PIN and CCCH Zn-finger domains coordinate RNA targeting in ZC3H12 family endoribonucleases.
Nucleic Acids Res., 49, 2021
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7NDJ
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7NDI
 | | Crystal structure of ZC3H12C PIN domain with Mg2+ Ion | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Probable ribonuclease ZC3H12C, ... | | Authors: | Garg, A, Heinemann, U. | | Deposit date: | 2021-02-01 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.875 Å) | | Cite: | PIN and CCCH Zn-finger domains coordinate RNA targeting in ZC3H12 family endoribonucleases.
Nucleic Acids Res., 49, 2021
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6WUG
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6WZ6
 | | Complex of mutant (K173M) of Pseudomonas 7A Glutaminase-Asparaginase with L-Glu at pH 5. Covalent acyl-enzyme intermediate | | Descriptor: | 1,2-ETHANEDIOL, GLUTAMIC ACID, Glutaminase-asparaginase | | Authors: | Strzelczyk, P, Zhang, D, Wlodawer, A, Lubkowski, J. | | Deposit date: | 2020-05-13 | | Release date: | 2020-10-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria.
Sci Rep, 10, 2020
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6P8Y
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4U2W
 | | Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin | | Descriptor: | 1,2-ETHANEDIOL, Bowman-Birk trypsin inhibitor, CALCIUM ION, ... | | Authors: | Grudnik, P, Golik, P, Malicki, S, Debowski, D, Legowska, A, Rolka, K, Dubin, G. | | Deposit date: | 2014-07-18 | | Release date: | 2015-01-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin.
Proteins, 83, 2015
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4XJU
 | | Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 4-acetamido-2-fluoro-3-hydroxy-6-[1,2-dihydroxyethyl]-7,8-dioxabicyclo[3.2.1]octane-1-carboxylic acid | | Descriptor: | (1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Brear, P. | | Deposit date: | 2015-01-09 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | `The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
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5ILT
 | | Crystal structure of bovine Fab A01 | | Descriptor: | bovine Fab A01 heavy chain, bovine Fab A01 light chain | | Authors: | Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2016-03-04 | | Release date: | 2016-08-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conservation and diversity in the ultralong third heavy-chain complementarity-determining region of bovine antibodies.
Sci Immunol, 1, 2016
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6NVT
 | | Crystal structure of TLA-1 extended spectrum Beta-lactamase | | Descriptor: | ACETATE ION, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Rudino-Pinera, E, Cifuentes-Castro, V.H, Rodriguez-Almazan, C. | | Deposit date: | 2019-02-05 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of ESBL TLA-1 in complex with clavulanic acid reveals a second acylation site.
Biochem.Biophys.Res.Commun., 522, 2020
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6O1S
 | | Structure of human plasma kallikrein protease domain with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, PHOSPHATE ION, ... | | Authors: | Partridge, J.R, Choy, R.M. | | Deposit date: | 2019-02-21 | | Release date: | 2019-03-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition.
J.Struct.Biol., 206, 2019
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7R75
 | | Structure of human SHP2 in complex with compound 16 | | Descriptor: | 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Leonard, P.G, Cross, J. | | Deposit date: | 2021-06-24 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
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4XXF
 | | L-fuculose 1-phosphate aldolase from Glaciozyma antarctica PI12 | | Descriptor: | Fuculose-1-phosphate aldolase, ZINC ION | | Authors: | Jaafar, N.R, Abu Bakar, F.D, Abdul Murad, A.M, Illias, R, Littler, D, Beddoe, T, Rossjohn, J, Mahadi, M.N. | | Deposit date: | 2015-01-30 | | Release date: | 2015-02-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Crystal structure of fuculose aldolase from the Antarctic psychrophilic yeast Glaciozyma antarctica PI12.
Acta Crystallogr.,Sect.F, 72, 2016
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8H1Y
 | | Serine Palmitoyltransferase from Sphingobacterium multivorum complexed with L-homoserine | | Descriptor: | (2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-oxidanyl-butanoic acid, 1,2-ETHANEDIOL, Serine palmitoyltransferase | | Authors: | Murakami, T, Takahashi, A, Katayama, A, Miyahara, I, Kamiya, N, Ikushiro, H, Yano, T. | | Deposit date: | 2022-10-04 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural insights into the substrate recognition of serine palmitoyltransferase from Sphingobacterium multivorum.
J.Biol.Chem., 299, 2023
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9EZ3
 | | Crystal structure of human CLK3 bound to RN129 | | Descriptor: | 1-(5-~{tert}-butyl-2-quinolin-6-yl-pyrazol-3-yl)-3-[3-(4-morpholin-4-yl-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]urea, Dual specificity protein kinase CLK3, SULFATE ION | | Authors: | Kraemer, A, Raig, N, Knapp, S. | | Deposit date: | 2024-04-10 | | Release date: | 2024-09-11 | | Last modified: | 2025-09-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Type II kinase inhibitors that target Parkinson's disease-associated LRRK2.
Sci Adv, 11, 2025
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6PNL
 | | Structure of Epimerase Mth375 from the thermophilic pseudomurein-containing methanogen Methanothermobacter thermautotrophicus | | Descriptor: | 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Carbone, V, Schofield, L.R, Sutherland-Smith, A.J, Ronimus, R.S. | | Deposit date: | 2019-07-02 | | Release date: | 2020-07-08 | | Last modified: | 2025-09-17 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural characterisation of nucleotide sugar short-chain dehydrogenases/reductases from the thermophilic pseudomurein-containing methanogen Methanothermobacter thermautotrophicus Delta H.
Febs J., 2025
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6PLA
 | | Adducts formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)osmium(II) with HEWL | | Descriptor: | Lysozyme, OSMIUM ION, SODIUM ION, ... | | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | | Deposit date: | 2019-06-30 | | Release date: | 2020-11-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Probing the Paradigm of Promiscuity for N-Heterocyclic Carbene Complexes and their Protein Adduct Formation.
Angew.Chem.Int.Ed.Engl., 2021
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6XVP
 | | Crystal structure of Neprilysin in complex with Sampatrilat. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Neprilysin, ... | | Authors: | Cozier, G.E, Acharya, K.R, Sharma, U. | | Deposit date: | 2020-01-22 | | Release date: | 2020-05-13 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Molecular Basis for Omapatrilat and Sampatrilat Binding to Neprilysin-Implications for Dual Inhibitor Design with Angiotensin-Converting Enzyme.
J.Med.Chem., 63, 2020
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4UPJ
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4XJA
 | | Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 5-acetamido-2,3-difluoro-3-hydroxy-6-[1,2,3-trihydroxypropyl]oxane-2-carboxylic acid | | Descriptor: | (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Brear, P. | | Deposit date: | 2015-01-08 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | `The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
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4UM5
 | | Crystal structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Moraxella catarrhalis in complex with Magnesium ion and Phosphate ion | | Descriptor: | 1,2-ETHANEDIOL, 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, MAGNESIUM ION, ... | | Authors: | Dhindwal, S, Tomar, S, Kumar, P. | | Deposit date: | 2014-05-15 | | Release date: | 2015-02-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Acta Crystallogr.,Sect.D, 71, 2015
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6ZEF
 | | Structure of PP1(7-300) bound to Phactr1 (516-580) at pH 5.25 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M. | | Deposit date: | 2020-06-16 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
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1FCA
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6P8X
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6WKZ
 | | Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(1R)-2-AMINO-1-PHENYLETHYL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE | | Descriptor: | 6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one, Deoxyhypusine synthase | | Authors: | Klein, M.G, Ambrus-Aikelin, G. | | Deposit date: | 2020-04-17 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase.
Acs Med.Chem.Lett., 11, 2020
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