6U17
 
 | | Human thymine DNA glycosylase bound to DNA with 2'-F-5-carboxyl-dC substrate analog | | Descriptor: | ACETATE ION, DNA (28-MER), DNA (30-MER), ... | | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | | Deposit date: | 2019-08-15 | | Release date: | 2019-11-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Excision of 5-Carboxylcytosine by Thymine DNA Glycosylase.
J.Am.Chem.Soc., 141, 2019
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5I0S
 | | Thiosulfate bound Cysteine Dioxygenase at pH 6.2 | | Descriptor: | Cysteine dioxygenase type 1, FE (III) ION, THIOSULFATE | | Authors: | Kean, K.M, Driggers, C.M, Karplus, P.A. | | Deposit date: | 2016-02-04 | | Release date: | 2016-12-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
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6U1G
 | | Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Cs+ | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, D-ALANINE, ... | | Authors: | Pederick, J.L, Bruning, J.B. | | Deposit date: | 2019-08-15 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
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6GTL
 | | Achromobacter cycloclastes copper nitrite reductase at pH 6.0 | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ... | | Authors: | Halsted, T.P, Eady, R.R, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2018-06-18 | | Release date: | 2019-07-03 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography.
Iucrj, 6, 2019
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6NKP
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8P9E
 | | Crystal structure of wild type p63-p73 heterotetramer (tetramerisation domain) in complex with darpin 1810 F11 | | Descriptor: | Darpin 1810 F11, GLYCEROL, Isoform 2 of Tumor protein 63, ... | | Authors: | Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-05 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma.
Cell Death Dis, 14, 2023
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5KYO
 | | Crystal Structure of CYP101J2 | | Descriptor: | CYP101J2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Unterweger, B, Drinkwater, N, Dumsday, G.J, McGowan, S. | | Deposit date: | 2016-07-22 | | Release date: | 2017-01-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystal structure of cytochrome P450 monooxygenase CYP101J2 from Sphingobium yanoikuyae strain B2.
Proteins, 85, 2017
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6YAT
 | | Crystal structure of STK4 (MST1) in complex with compound 6 | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine, GLYCEROL, ... | | Authors: | Chaikuad, A, Bata, N, Limpert, A.S, Lambert, L.J, Bakas, N.A, Cosford, N.D.P, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-03-13 | | Release date: | 2020-04-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Inhibitors of the Hippo Pathway Kinases STK3/MST2 and STK4/MST1 Have Utility for the Treatment of Acute Myeloid Leukemia.
J.Med.Chem., 65, 2022
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6YBF
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5I5M
 | | Shewanella denitrificans nitrous oxide reductase, Ca2+-reconstituted form | | Descriptor: | (R,R)-2,3-BUTANEDIOL, CALCIUM ION, Nitrous-oxide reductase, ... | | Authors: | Schneider, L.K, Einsle, O. | | Deposit date: | 2016-02-15 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Role of Calcium in Secondary Structure Stabilization during Maturation of Nitrous Oxide Reductase.
Biochemistry, 55, 2016
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5CX9
 | | Crystal structure of CK2alpha with (methyl 4-((3-(3-chloro-4-(phenyl)benzylamino)propyl)amino)-4-oxobutanoate bound | | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, PHOSPHATE ION, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-28 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.732 Å) | | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
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6GL5
 | | Crystal Structure of dimethylated RSL - sulfonatocalix[4]arene complex | | Descriptor: | 1,2-ETHANEDIOL, 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Guagnini, F, Rennie, M.L, Crowley, P.B. | | Deposit date: | 2018-05-23 | | Release date: | 2019-06-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Protein Crystallization via Sulfonatocalix[4]arene Dimethylammonium Complexation
To Be Published
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6Q2V
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5VGS
 | | Crystal structure of lachrymatory factor synthase from Allium cepa in complex with crotyl alcohol | | Descriptor: | (2E)-but-2-en-1-ol, (2Z)-but-2-en-1-ol, Lachrymatory-factor synthase | | Authors: | Silvaroli, J.A, Pleshinger, M.J, Banerjee, S, Kiser, P.D, Golczak, M. | | Deposit date: | 2017-04-11 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Enzyme That Makes You Cry-Crystal Structure of Lachrymatory Factor Synthase from Allium cepa.
ACS Chem. Biol., 12, 2017
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6GU6
 | | CDK1/Cks2 in complex with Dinaciclib | | Descriptor: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2 | | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | Deposit date: | 2018-06-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
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6YPX
 | | Human histidine triad nucleotide-binding protein 2 (hHINT2) refined to 2.11 A in C2221 space group | | Descriptor: | CACODYLATE ION, GLYCEROL, Histidine triad nucleotide-binding protein 2, ... | | Authors: | Dolot, R.D, Wlodarczyk, A, Bujacz, G.D, Nawrot, B.C. | | Deposit date: | 2020-04-16 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A.
Biochim Biophys Acta Gen Subj, 1865, 2021
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5CZ0
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6YQ2
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5I2U
 | | Crystal structure of a novel Halo-Tolerant Cellulase from Soil Metagenome | | Descriptor: | Cellulase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Garg, R, Brahma, V, Srivastava, R, Verma, L, Karthikeyan, S, Sahni, G. | | Deposit date: | 2016-02-09 | | Release date: | 2017-01-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Biochemical and structural characterization of a novel halotolerant cellulase from soil metagenome
Sci Rep, 6, 2016
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7DBS
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6GMG
 | | Structure of a glutamine donor mimicking inhibitory peptide shaped by the catalytic cleft of microbial transglutaminase | | Descriptor: | CITRATE ANION, DI(HYDROXYETHYL)ETHER, PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANSFERASE, ... | | Authors: | Schmelz, S, Juettner, N.E, Fuchsbauer, H.L, Scrima, A. | | Deposit date: | 2018-05-25 | | Release date: | 2018-10-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of a glutamine donor mimicking inhibitory peptide shaped by the catalytic cleft of microbial transglutaminase.
FEBS J., 285, 2018
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6YRO
 | | Streptococcus suis SadP mutant - N285D | | Descriptor: | GLYCEROL, SODIUM ION, SadP | | Authors: | Papageorgiou, A.C, Haataja, S. | | Deposit date: | 2020-04-20 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The binding mechanism of the virulence factor Streptococcus suis adhesin P subtype to globotetraosylceramide is associated with systemic disease.
J.Biol.Chem., 295, 2020
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6GUX
 | | Dark-adapted structure of Archaerhodopsin-3 at 100K | | Descriptor: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Moraes, I, Judge, P.J, Bada Juarez, J.F, Vinals, J, Axford, D, Watts, A. | | Deposit date: | 2018-06-19 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of the archaerhodopsin-3 transporter reveal that disordering of internal water networks underpins receptor sensitization.
Nat Commun, 12, 2021
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5L1V
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6TVG
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