6XVG
 
 | | Human Sirt6 3-318 in complex with ADP-ribose and the activator MDL-801 | | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, ... | | Authors: | You, W, Steegborn, C. | | Deposit date: | 2020-01-22 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Binding site for activator MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
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8G8O
 | | The crystal structure of JAK2 in complex with Compound 31 | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Tyrosine-protein kinase JAK2, ... | | Authors: | Miller, S.T, Ellis, D.A. | | Deposit date: | 2023-02-18 | | Release date: | 2023-06-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility.
J.Med.Chem., 66, 2023
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6XSG
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V66T at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B, Sorenson, J.L. | | Deposit date: | 2020-07-15 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS V66T at cryogenic temperature
To be Published
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2AQ9
 | | Structure of E. coli LpxA with a bound peptide that is competitive with acyl-ACP | | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Williams, A.H, Immormino, R.M, Gewirth, D.T, Raetz, C.R. | | Deposit date: | 2005-08-17 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of UDP-N-acetylglucosamine acyltransferase with a bound antibacterial pentadecapeptide.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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8GR3
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1JAL
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6XW4
 | | Crystal structure of murine norovirus P domain in complex with Nanobody NB-5867 | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, Nanobody NB-5867 | | Authors: | Kilic, T, Sabin, C, Hansman, G. | | Deposit date: | 2020-01-23 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Nanobody-Mediated Neutralization Reveals an Achilles Heel for Norovirus.
J.Virol., 94, 2020
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8GR6
 | | Crystal Structure of pilus-specific Sortase C from Streptococcus sanguinis | | Descriptor: | 1,2-ETHANEDIOL, SODIUM ION, Sortase-like protein, ... | | Authors: | Yadav, S, Parijat, P, Krishnan, V. | | Deposit date: | 2022-09-01 | | Release date: | 2023-06-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal structure of the pilus-specific sortase from early colonizing oral Streptococcus sanguinis captures an active open-lid conformation.
Int.J.Biol.Macromol., 243, 2023
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8GCL
 | | Cryo-EM structure of hAQP2 in DDM | | Descriptor: | Aquaporin-2 | | Authors: | Kamegawa, A, Suzuki, S, Nishikawa, K, Numoto, N, Suzuki, H, Fujiyoshi, Y. | | Deposit date: | 2023-03-02 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structural analysis of the water channel AQP2 by single-particle cryo-EM.
J.Struct.Biol., 215, 2023
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6B4A
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8G8X
 | | X-ray co-crystal structure of compound 27 in with complex JAK2 | | Descriptor: | 3-cyclopropyl-1-{5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl}azetidin-3-ol, Tyrosine-protein kinase JAK2 | | Authors: | Miller, S.T, Ellis, D.A. | | Deposit date: | 2023-02-20 | | Release date: | 2023-06-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility.
J.Med.Chem., 66, 2023
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8GCB
 | | Structure of RNF125 in complex with a UbcH5b~Ub conjugate | | Descriptor: | E3 ubiquitin-protein ligase RNF125, Ubiquitin-conjugating enzyme E2 D2, ZINC ION | | Authors: | Middleton, A.J, Day, C.L, Fokkens, T.J. | | Deposit date: | 2023-03-01 | | Release date: | 2023-07-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Zinc finger 1 of the RING E3 ligase, RNF125, interacts with the E2 to enhance ubiquitylation.
Structure, 31, 2023
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8GUV
 | | LecA from Pseudomonas aeruginosa in complex with tolcapone (CAS: 134308-13-7) | | Descriptor: | CALCIUM ION, PA-I galactophilic lectin, Tolcapone | | Authors: | Kuhaudomlarp, S, Siebs, E, Varrot, A, Imberty, A, Titz, A. | | Deposit date: | 2022-09-13 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | LecA from Pseudomonas aeruginosa in complex with tolcapone (CAS: 134308-13-7)
To Be Published
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8GUU
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8GR1
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1JLT
 | | Vipoxin Complex | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHOLIPASE A2, ... | | Authors: | Banumathi, S, Rajashankar, K.R, Notzel, C, Aleksiev, B, Singh, T.P, Genov, N, Betzel, C. | | Deposit date: | 2001-07-16 | | Release date: | 2001-10-31 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of the neurotoxic complex vipoxin at 1.4 A resolution.
Acta Crystallogr.,Sect.D, 57, 2001
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1JKY
 | | Crystal Structure of the Anthrax Lethal Factor (LF): Wild-type LF Complexed with the N-terminal Sequence of MAPKK2 | | Descriptor: | Lethal Factor, mitogen-activated protein kinase kinase 2 | | Authors: | Pannifer, A.D, Wong, T.Y, Schwarzenbacher, R, Renatus, M, Petosa, C, Collier, R.J, Bienkowska, J, Lacy, D.B, Park, S, Leppla, S.H, Hanna, P, Liddington, R.C. | | Deposit date: | 2001-07-13 | | Release date: | 2001-11-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Crystal structure of the anthrax lethal factor.
Nature, 414, 2001
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6XYB
 | | Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi | | Descriptor: | CHLORIDE ION, IODIDE ION, MAGNESIUM ION, ... | | Authors: | Roske, Y, Heinemann, U. | | Deposit date: | 2020-01-30 | | Release date: | 2020-06-10 | | Last modified: | 2020-07-15 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi.
J.Struct.Biol., 211, 2020
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6XOF
 | | Crystal structure of SCLam, a non-specific endo-beta-1,3(4)-glucanase from family GH16 | | Descriptor: | CALCIUM ION, GH16 family protein, GLYCEROL | | Authors: | Liberato, M.V, Bernardes, A, Polikarpov, I, Squina, F. | | Deposit date: | 2020-07-07 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
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6XQM
 | | Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with laminarihexaose, presenting a laminaribiose and a glucose at active site | | Descriptor: | CALCIUM ION, GH16 family protein, PHOSPHATE ION, ... | | Authors: | Liberato, M.V, Squina, F. | | Deposit date: | 2020-07-09 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
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6XQH
 | | Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with cellotriose, presenting a 1,3-beta-D-cellobiosyl-glucose and a cellobiose at active site | | Descriptor: | CALCIUM ION, GH16 family protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | | Authors: | Liberato, M.V, Squina, F. | | Deposit date: | 2020-07-09 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
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6XQG
 | | Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with 1,3-beta-D-cellobiosyl-cellobiose, presenting a 1,3-beta-D-cellobiosyl-glucose at active site | | Descriptor: | CALCIUM ION, GH16 family protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose | | Authors: | Liberato, M.V, Squina, F. | | Deposit date: | 2020-07-09 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
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1JUC
 | | Crystal Structure Analysis of a Holliday Junction Formed by CCGGTACCGG | | Descriptor: | 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3' | | Authors: | Thorpe, J.H, Teixeira, S.C.M, Gale, B.C, Cardin, C.J. | | Deposit date: | 2001-08-24 | | Release date: | 2002-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural characterization of a new crystal form of the four-way Holliday junction formed by the DNA sequence d(CCGGTACCGG)2: sequence versus lattice?
Acta Crystallogr.,Sect.D, 58, 2002
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2AYH
 | | CRYSTAL AND MOLECULAR STRUCTURE AT 1.6 ANGSTROMS RESOLUTION OF THE HYBRID BACILLUS ENDO-1,3-1,4-BETA-D-GLUCAN 4-GLUCANOHYDROLASE H(A16-M) | | Descriptor: | 1,3-1,4-BETA-D-GLUCAN 4-GLUCANOHYDROLASE, CALCIUM ION | | Authors: | Hahn, M, Keitel, T, Heinemann, U. | | Deposit date: | 1995-02-02 | | Release date: | 1995-03-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal and molecular structure at 0.16-nm resolution of the hybrid Bacillus endo-1,3-1,4-beta-D-glucan 4-glucanohydrolase H(A16-M).
Eur.J.Biochem., 232, 1995
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1KW6
 | | Crystal structure of 2,3-dihydroxybiphenyl dioxygenase (BphC) in complex with 2,3-dihydroxybiphenyl at 1.45 A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3-Dihydroxybiphenyl dioxygenase, BIPHENYL-2,3-DIOL, ... | | Authors: | Sato, N, Uragami, Y, Nishizaki, T, Takahashi, Y, Sazaki, G, Sugimoto, K, Nonaka, T, Masai, E, Fukuda, M, Senda, T. | | Deposit date: | 2002-01-28 | | Release date: | 2003-01-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal Structures of the Reaction Intermediate and its Homologue of an Extradiol-cleaving Catecholic Dioxygenase
J.Mol.Biol., 321, 2002
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