5ILY
 
 | | Tobacco 5-epi-aristolochene synthase with BIS-TRIS buffer molecule and diphosphate (PPi) | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-epi-aristolochene synthase, DIPHOSPHATE, ... | | Authors: | Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P. | | Deposit date: | 2016-03-05 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme
To Be Published
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5WIZ
 | | Phosphotriesterase variant S5 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ... | | Authors: | Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N. | | Deposit date: | 2017-07-21 | | Release date: | 2019-01-23 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Phosphotriesterase variant S5
To Be Published
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5IQC
 | | Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPNP, Magnesium, and Gentamicin C1 | | Descriptor: | Bifunctional AAC/APH, CHLORIDE ION, GLYCEROL, ... | | Authors: | Caldwell, S.J, Berghuis, A.M. | | Deposit date: | 2016-03-10 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
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5IME
 | | Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9 | | Descriptor: | 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | | Authors: | Li, D, Wang, W. | | Deposit date: | 2016-03-06 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.217 Å) | | Cite: | Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window.
J.Med.Chem., 59, 2016
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5IRB
 | | Structural insight into host cell surface retention of a 1.5-MDa bacterial ice-binding adhesin | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Guo, S, Phippen, S, Campbell, R, Davies, P. | | Deposit date: | 2016-03-12 | | Release date: | 2017-07-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice.
Sci Adv, 3, 2017
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6KRZ
 | | Crystal structure of the human adiponectin receptor 1 D208A mutant | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adiponectin receptor protein 1, OLEIC ACID, ... | | Authors: | Tanabe, H, Fujii, Y, Okada-Iwabu, M, Iwabu, M, Yamauchi, T, Kadowaki, T, Yokoyama, S. | | Deposit date: | 2019-08-22 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Human adiponectin receptor AdipoR1 assumes closed and open structures.
Commun Biol, 3, 2020
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6KOC
 | | X-ray Structure of the proton-pumping cytochrome aa3-600 menaquinol oxidase from Bacillus subtilis complexed with 3-iodo-N-oxo-2-heptyl-4-hydroxyquinoline | | Descriptor: | 2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one, AA3-600 quinol oxidase subunit I, AA3-600 quinol oxidase subunit IIII, ... | | Authors: | Xu, J, Ding, Z, Liu, B, Li, J, Gennis, R.B, Zhu, J. | | Deposit date: | 2019-08-09 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structure of the cytochromeaa3-600 heme-copper menaquinol oxidase bound to inhibitor HQNO shows TM0 is part of the quinol binding site.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5X1J
 | | Vanillate/3-O-methylgallate O-demethylase, LigM, vanillate complex form | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-HYDROXY-3-METHOXYBENZOATE, ... | | Authors: | Harada, A, Senda, T. | | Deposit date: | 2017-01-26 | | Release date: | 2017-05-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6
FEBS J., 284, 2017
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6KP0
 | | Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-arginine | | Descriptor: | ARGININE, SODIUM ION, ZINC ION, ... | | Authors: | Agrawal, R, Kumar, A, Kumar, A, Makde, R.D. | | Deposit date: | 2019-08-13 | | Release date: | 2020-01-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
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5IPE
 | | Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) nucleoside thiophosphoramidate catalytic product complex | | Descriptor: | 1,2-ETHANEDIOL, 5'-S-phosphono-5'-thioguanosine, CHLORIDE ION, ... | | Authors: | Maize, K.M, Finzel, B.C. | | Deposit date: | 2016-03-09 | | Release date: | 2017-03-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
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6KQU
 | | Crystal structure of phospholipase A2 | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Hou, S, Xu, T, Liu, J. | | Deposit date: | 2019-08-18 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Residue Asn21 acts as a switch for calcium binding to modulate the enzymatic activity of human phospholipase A2 group IIE.
Biochimie, 176, 2020
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5WDE
 | | Crystal structure of the KIFC3 motor domain in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC3, MAGNESIUM ION, ... | | Authors: | Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-07-05 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
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6KPQ
 | | Crystal structure of Zika NS2B-NS3 protease with compound 8 | | Descriptor: | 1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine, NS3 protease, Serine protease subunit NS2B | | Authors: | Quek, J.P. | | Deposit date: | 2019-08-15 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
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5I33
 | | Unligated adenylosuccinate synthetase from Cryptococcus neoformans | | Descriptor: | Adenylosuccinate synthetase | | Authors: | Blundell, R.D, Williams, S.J, Ericsson, D, Fraser, J.A, Kobe, B. | | Deposit date: | 2016-02-09 | | Release date: | 2016-08-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Disruption of de Novo Adenosine Triphosphate (ATP) Biosynthesis Abolishes Virulence in Cryptococcus neoformans.
Acs Infect Dis., 2, 2016
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6KRU
 | | Crystal structure of mouse IgG2b Fc | | Descriptor: | Ig gamma-2B chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Taniguchi, Y, Satoh, T, Yagi, H, Kato, K. | | Deposit date: | 2019-08-22 | | Release date: | 2020-01-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | On-Membrane Dynamic Interplay between Anti-GM1 IgG Antibodies and Complement Component C1q.
Int J Mol Sci, 21, 2019
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6KSG
 | | Vibrio cholerae Methionine Aminopeptidase in holo form | | Descriptor: | GLYCEROL, Methionine aminopeptidase, NICKEL (II) ION, ... | | Authors: | Pillalamarri, V, Addlagatta, A. | | Deposit date: | 2019-08-23 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Methionine aminopeptidases with short sequence inserts within the catalytic domain are differentially inhibited: Structural and biochemical studies of three proteins from Vibrio spp.
Eur.J.Med.Chem., 209, 2020
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6KSN
 | | Structure of a Zn-bound camelid single domain antibody | | Descriptor: | 1,2-ETHANEDIOL, ICab3, SODIUM ION, ... | | Authors: | Kumar, S, Athreya, A, Penmatsa, A. | | Deposit date: | 2019-08-24 | | Release date: | 2019-11-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Isolation and structural characterization of a Zn2+-bound single-domain antibody against NorC, a putative multidrug efflux transporter in bacteria.
J.Biol.Chem., 295, 2020
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6KRP
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6KTH
 | | Crystal structure of Juvenile hormone diol kinase JHDK-L2 from silkworm, Bombyx mori | | Descriptor: | CALCIUM ION, GLYCEROL, Juvenile hormone diol kinase | | Authors: | Zhang, Y.S, Xu, H.Y, Wang, Z, Zhang, L, Zhao, P, Guo, P.C. | | Deposit date: | 2019-08-28 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Structural characterization and functional analysis of juvenile hormone diol kinase from the silkworm, Bombyx mori.
Int.J.Biol.Macromol., 167, 2021
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6KSD
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5WUE
 | | Structural basis for conductance through TRIC cation channels | | Descriptor: | SULFATE ION, Uncharacterized protein | | Authors: | Su, M, Gao, F, Mao, Y, Li, D.L, Guo, Y.Z, Wang, X.H, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS) | | Deposit date: | 2016-12-17 | | Release date: | 2017-06-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for conductance through TRIC cation channels.
Nat Commun, 8, 2017
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5WUU
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5I7O
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6KUZ
 | | E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSL01 | | Descriptor: | 3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehyde, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | Authors: | Chen, X, Hu, Y.L, Li, X.K, Guo, Y, Li, J. | | Deposit date: | 2019-09-03 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | First-generation species-selective chemical probes for fluorescence imaging of human senescence-associated beta-galactosidase.
Chem Sci, 11, 2020
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6KUF
 | | Crystal structure of barley exohydrolaseI W434A mutant in complex with glucose. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | | Deposit date: | 2019-09-02 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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