5X3F
 
 | | Crystal structure of the YgjG-Protein A-Zpa963-PKA catalytic domain | | Descriptor: | Putrescine aminotransferase,Immunoglobulin G-binding protein A, Zpa963,cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Youn, S.J, Kwon, N.Y, Lee, J.H, Kim, J.H, Lee, H, Lee, J.O. | | Deposit date: | 2017-02-05 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.38 Å) | | Cite: | Construction of novel repeat proteins with rigid and predictable structures using a shared helix method.
Sci Rep, 7, 2017
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6JRC
 | | ZHD complex with hydrolyzed alpha-ZOL | | Descriptor: | 2-[(~{E},6~{R},10~{S})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid, GLYCEROL, POTASSIUM ION, ... | | Authors: | Hu, X.J. | | Deposit date: | 2019-04-03 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure of ZHD complex
To Be Published
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4WIZ
 | | Crystal structure of Grouper nervous necrosis virus-like particle at 3.6A | | Descriptor: | CALCIUM ION, Coat protein | | Authors: | Chen, N.C, Chen, C.J, Yoshimura, M, Guan, H.H, Chen, T.Y. | | Deposit date: | 2014-09-28 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Crystal Structures of a Piscine Betanodavirus: Mechanisms of Capsid Assembly and Viral Infection
Plos Pathog., 11, 2015
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8DA0
 | | Crystal structure of Mamba alpha-neurotoxin in complex with Centi-LNX-D09 antibody | | Descriptor: | ACETATE ION, Alpha-elapitoxin-Dpp2d, Centi-LNX-D09 Fab heavy chain, ... | | Authors: | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | | Deposit date: | 2022-06-12 | | Release date: | 2023-06-14 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Venom protection by antibody from a snakebite hyperimmune subject
To Be Published
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5X47
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5X5A
 | | Human thymidylate synthase bound with phosphate ion | | Descriptor: | PHOSPHATE ION, Thymidylate synthase | | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | | Deposit date: | 2017-02-15 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
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5X5P
 | | Human serum transferrin bound to ruthenium NTA | | Descriptor: | FE (III) ION, MALONATE ION, NITRILOTRIACETIC ACID, ... | | Authors: | Sun, H, Wang, M. | | Deposit date: | 2017-02-17 | | Release date: | 2018-02-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Binding of ruthenium and osmium at non‐iron sites of transferrin accounts for their iron-independent cellular uptake.
J.Inorg.Biochem., 234, 2022
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4ZZV
 | | Geotrichum candidum Cel7A apo structure at 1.4A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE I, ... | | Authors: | Borisova, A.S, Stahlberg, J. | | Deposit date: | 2015-04-14 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C.
FEBS J., 282, 2015
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5A0N
 | | N-terminal thioester domain of protein F2 like fibronectin-binding protein from Streptococcus pneumoniae | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, PROTEIN F2 LIKE FIBRONECTIN-BINDING PROTEIN | | Authors: | Walden, M, Edwards, J.M, Dziewulska, A.M, Kan, S.-Y, Schwarz-Linek, U, Banfield, M.J. | | Deposit date: | 2015-04-21 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | An internal thioester in a pathogen surface protein mediates covalent host binding.
Elife, 4, 2015
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6GY0
 | | mPI3Kd IN COMPLEX WITH AZ3 | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide | | Authors: | Petersen, J. | | Deposit date: | 2018-06-27 | | Release date: | 2019-02-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | A class of highly selective inhibitors bind to an active state of PI3K gamma.
Nat.Chem.Biol., 15, 2019
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4GN4
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5A9T
 | | Imine Reductase from Amycolatopsis orientalis in complex with (R)- Methyltetrahydroisoquinoline | | Descriptor: | (1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline, ACETATE ION, CALCIUM ION, ... | | Authors: | Man, H, Aleku, G, Turner, N.J, Grogan, G. | | Deposit date: | 2015-07-22 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Stereoselectivity and Structural Characterization of an Imine Reductase (Ired) from Amycolatopsis Orientalis
Acs Catalysis, 6, 2016
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6GVA
 | | CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR4455 | | Descriptor: | 1,2-ETHANEDIOL, 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, BROMIDE ION, ... | | Authors: | Skerlova, J, Rezacova, P. | | Deposit date: | 2018-06-20 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | 3,5,7-Substituted Pyrazolo[4,3- d]pyrimidine Inhibitors of Cyclin-Dependent Kinases and Their Evaluation in Lymphoma Models.
J.Med.Chem., 62, 2019
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4GND
 | | Crystal Structure of NSD3 tandem PHD5-C5HCH domains | | Descriptor: | Histone-lysine N-methyltransferase NSD3, ZINC ION | | Authors: | Li, F, He, C, Wu, J, Shi, Y. | | Deposit date: | 2012-08-17 | | Release date: | 2013-01-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition.
J.Biol.Chem., 288, 2013
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5XQO
 | | Crystal structure of a PL 26 exo-rhamnogalacturonan lyase from Penicillium chrysogenum complexed with tetrameric substrate | | Descriptor: | 2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid-(1-2)-alpha-L-rhamnopyranose-(1-4)-alpha-D-galactopyranuronic acid-(1-2)-alpha-L-rhamnopyranose, 2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid-(1-3)-alpha-L-rhamnopyranose-(1-4)-alpha-D-galactopyranuronic acid-(1-2)-alpha-L-rhamnopyranose, CALCIUM ION, ... | | Authors: | Kunishige, Y, Iwai, M, Tada, T, Nishimura, S, Sakamoto, T. | | Deposit date: | 2017-06-07 | | Release date: | 2018-03-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of exo-rhamnogalacturonan lyase from Penicillium chrysogenum as a member of polysaccharide lyase family 26
FEBS Lett., 592, 2018
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4WHC
 | | Human CEACAM6 N-domain | | Descriptor: | Carcinoembryonic antigen-related cell adhesion molecule 6, ZINC ION | | Authors: | Prive, G.G, Kirouac, K.N. | | Deposit date: | 2014-09-22 | | Release date: | 2015-10-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.705 Å) | | Cite: | Human CEACAM6 N-domain
To Be Published
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5A4T
 | | DYRK1A IN COMPLEX WITH NITRILE BENZOTHIAZOLE FRAGMENT | | Descriptor: | DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION- REGULATED KINASE 1A, N-(6-CYANO-3H-1,3-BENZOTHIAZOL-2-YLIDENE)ETHANAMIDE | | Authors: | Rothweiler, U. | | Deposit date: | 2015-06-15 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Probing the ATP-Binding Pocket of Protein Kinase Dyrk1A with Benzothiazole Fragment Molecules
J.Med.Chem., 59, 2016
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4GMG
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4WHI
 | | Crystal structure of C-terminal domain of penicillin binding protein Rv0907 | | Descriptor: | BROMIDE ION, Beta-lactamase, NICKEL (II) ION | | Authors: | Chang, C, Hatzos-Skintges, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-09-22 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of C-terminal domain of penicillin binding protein Rv0907
To Be Published
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4WHL
 | | A New Class of Peptidomimetics Targeting the Polo-box Domain of Polo-like kinase 1 | | Descriptor: | C6H5(CH2)8-DERIVATIZED PEPTIDE INHIBITOR, Serine/threonine-protein kinase PLK1 | | Authors: | Bang, J.K, Han, Y.H, Ahn, M.J, Lee, K.S. | | Deposit date: | 2014-09-23 | | Release date: | 2014-12-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | A new class of peptidomimetics targeting the polo-box domain of polo-like kinase 1.
J.Med.Chem., 58, 2015
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4WHS
 | | 4-fluorocatechol bound to Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 8.5 | | Descriptor: | 4-fluorobenzene-1,2-diol, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Knoot, C.J, Purpero, V.M, Lipscomb, J.D. | | Deposit date: | 2014-09-23 | | Release date: | 2014-12-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structures of alkylperoxo and anhydride intermediates in an intradiol ring-cleaving dioxygenase.
Proc.Natl.Acad.Sci.USA, 112, 2015
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1FJW
 | | THERMOLYSIN (50 MM PHENOL SOAKED) | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, PHENOL, ... | | Authors: | English, A.C, Groom, C.R, Hubbard, R.E. | | Deposit date: | 2000-08-08 | | Release date: | 2001-04-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Experimental and computational mapping of the binding surface of a crystalline protein.
Protein Eng., 14, 2001
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5A71
 | | Open and closed conformations and protonation states of Candida antarctica Lipase B: atomic resolution native | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ISOPROPYL ALCOHOL, LIPASE B, ... | | Authors: | Stauch, B, Fisher, S.J, Cianci, M. | | Deposit date: | 2015-07-02 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (0.91 Å) | | Cite: | Open and Closed States of Candida Antarctica Lipase B: Protonation and the Mechanism of Interfacial Activation.
J.Lipid Res., 56, 2015
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5A6Q
 | | Native structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, ... | | Authors: | Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A. | | Deposit date: | 2015-06-30 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The virulence factor LecB varies in clinical isolates: consequences for ligand binding and drug discovery.
Chem Sci, 7, 2016
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8CR0
 | | Crystal structure of human carbonic anhydrase II in complex with a triazolyl benzoxaborole inhibitor | | Descriptor: | 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-4-[(4-fluoranylphenoxy)methyl]-1,2,3-triazole, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Alterio, V, De Simone, G, Esposito, D. | | Deposit date: | 2023-03-07 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | 6-Substituted Triazolyl Benzoxaboroles as Selective Carbonic Anhydrase Inhibitors: In Silico Design, Synthesis, and X-ray Crystallography.
J.Med.Chem., 66, 2023
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