4TTO
 
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4TTM
 | | Racemic structure of kalata B1 (kB1) | | Descriptor: | D-kalata B1, Kalata-B1 | | Authors: | Wang, C.K, King, G.J, Craik, D.J. | | Deposit date: | 2014-06-22 | | Release date: | 2014-09-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9001 Å) | | Cite: | Racemic and Quasi-Racemic X-ray Structures of Cyclic Disulfide-Rich Peptide Drug Scaffolds.
Angew.Chem.Int.Ed.Engl., 53, 2014
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7UFJ
 | | Structure of human MR1-ethylvanillin in complex with human MAIT A-F7 TCR | | Descriptor: | 3-ethoxy-4-hydroxybenzaldehyde, ACETATE ION, Beta-2-microglobulin, ... | | Authors: | Wang, C.J, Rossjohn, J, Le Nours, J. | | Deposit date: | 2022-03-22 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Quantitative affinity measurement of small molecule ligand binding to Major Histocompatibility Complex class-I related protein 1 MR1.
J.Biol.Chem., 298, 2022
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4TTN
 | | Quasi-racemic structure of [G6A]kalata B1 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, D-kalata B1, Kalata-B1 | | Authors: | Wang, C.K, King, G.J, Craik, D.J. | | Deposit date: | 2014-06-22 | | Release date: | 2014-09-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.2507 Å) | | Cite: | Racemic and Quasi-Racemic X-ray Structures of Cyclic Disulfide-Rich Peptide Drug Scaffolds.
Angew.Chem.Int.Ed.Engl., 53, 2014
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8WX8
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1P5S
 | | STRUCTURE AND FUNCTION OF THE CALPONIN-HOMOLOGY DOMAIN OF AN IQGAP PROTEIN FROM SCHIZOSACCHAROMYCES POMBE | | Descriptor: | MERCURY (II) ION, Ras GTPase-activating-like protein rng2 | | Authors: | Wang, C.H, Balasubramanian, M.K, Dokland, T. | | Deposit date: | 2003-04-28 | | Release date: | 2004-05-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structure, crystal packing and molecular dynamics of the calponin-homology domain of Schizosaccharomyces pombe Rng2.
Acta Crystallogr.,Sect.D, 60, 2004
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6LPW
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8ET1
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8ET2
 | | CryoEM structure of the GSDMB pore | | Descriptor: | Isoform 1 of Gasdermin-B | | Authors: | Wang, C, Ruan, J. | | Deposit date: | 2022-10-15 | | Release date: | 2023-03-29 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.96 Å) | | Cite: | Structural basis for GSDMB pore formation and its targeting by IpaH7.8.
Nature, 616, 2023
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6LPV
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7ZEA
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6DL1
 | | Racemic structure of jatrophidin, an orbitide from Jatropha curcas | | Descriptor: | jatrophidin | | Authors: | Wang, C.K, King, G.J, Ramalho, S.D. | | Deposit date: | 2018-05-31 | | Release date: | 2018-11-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.029 Å) | | Cite: | Synthesis, Racemic X-ray Crystallographic, and Permeability Studies of Bioactive Orbitides from Jatropha Species.
J. Nat. Prod., 81, 2018
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1MHC
 | | MODEL OF MHC CLASS I H2-M3 WITH NONAPEPTIDE FROM RAT ND1 REFINED AT 2.3 ANGSTROMS RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC CLASS I ANTIGEN H2-M3, NONAPEPTIDE FROM RAT NADH DEHYDROGENASE | | Authors: | Wang, C.-R, Fischer Lindahl, K, Deisenhofer, J. | | Deposit date: | 1995-08-23 | | Release date: | 1996-01-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Nonclassical binding of formylated peptide in crystal structure of the MHC class Ib molecule H2-M3
Cell(Cambridge,Mass.), 82, 1995
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6DKZ
 | | Racemic structure of ribifolin, an orbitide from Jatropha ribifolia | | Descriptor: | ribifolin | | Authors: | Wang, C.K, King, G.J, Ramalho, S.D. | | Deposit date: | 2018-05-31 | | Release date: | 2018-11-14 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Synthesis, Racemic X-ray Crystallographic, and Permeability Studies of Bioactive Orbitides from Jatropha Species.
J. Nat. Prod., 81, 2018
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3KEG
 | | X-ray Crystallographic Structure of a Y131F mutant of Pseudomonas Aeruginosa Azoreductase in complex with Methyl RED | | Descriptor: | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase 1, ... | | Authors: | Wang, C.-J, Laurieri, N, Abuhammad, A, Lowe, E, Westwood, I, Ryan, A, Sim, E. | | Deposit date: | 2009-10-26 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Role of tyrosine 131 in the active site of paAzoR1, an azoreductase with specificity for the inflammatory bowel disease prodrug balsalazide
Acta Crystallogr.,Sect.F, 66, 2010
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7WN1
 | | Structure of PfNT1(Y190A) in complex with nanobody 48 and inosine | | Descriptor: | Equilibrative nucleoside/nucleobase transporter, INOSINE, nanobody48 | | Authors: | Wang, C, Deng, D, Ren, R.B, Yu, L.Y. | | Deposit date: | 2022-01-17 | | Release date: | 2023-02-01 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
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4Y4R
 | | Crystal structure of ribosomal oxygenase NO66 dimer mutant | | Descriptor: | ACETATE ION, Bifunctional lysine-specific demethylase and histidyl-hydroxylase NO66, NICKEL (II) ION | | Authors: | Wang, C, Hang, T, Zang, J. | | Deposit date: | 2015-02-11 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of the JmjC domain-containing protein NO66 complexed with ribosomal protein Rpl8.
Acta Crystallogr.,Sect.D, 71, 2015
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1P2X
 | | CRYSTAL STRUCTURE OF THE CALPONIN-HOMOLOGY DOMAIN OF RNG2 FROM SCHIZOSACCHAROMYCES POMBE | | Descriptor: | BROMIDE ION, Ras GTPase-activating-like protein | | Authors: | Wang, C.-H, Balasubramanian, M.K, Dokland, T. | | Deposit date: | 2003-04-16 | | Release date: | 2004-06-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structure, crystal packing and molecular dynamics of the calponin-homology domain of Schizosaccharomyces pombe Rng2.
Acta Crystallogr.,Sect.D, 60, 2004
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4KMV
 | | Structure of the L100F MUTANT OF DEHALOPEROXIDASE-HEMOGLOBIN A FROM AMPHITRITE ORNATA WITH 2,4,6-TRICHLOROPHENOL | | Descriptor: | 1,2-ETHANEDIOL, 2,4,6-trichlorophenol, Dehaloperoxidase A, ... | | Authors: | Wang, C, Lovelace, L, Lebioda, L. | | Deposit date: | 2013-05-08 | | Release date: | 2013-09-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Complexes of dual-function hemoglobin/dehaloperoxidase with substrate 2,4,6-trichlorophenol are inhibitory and indicate binding of halophenol to compound I.
Biochemistry, 52, 2013
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3PR6
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6DKY
 | | Crystal structure of ribifolin, an orbitide from Jatropha ribifolia | | Descriptor: | ILE-LEU-GLY-SER-ILE-ILE-LEU-GLY | | Authors: | Wang, C.K, Ramalho, S.D, King, G.J, Craik, D.J. | | Deposit date: | 2018-05-31 | | Release date: | 2018-11-07 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (1.239 Å) | | Cite: | Synthesis, Racemic X-ray Crystallographic, and Permeability Studies of Bioactive Orbitides from Jatropha Species.
J. Nat. Prod., 81, 2018
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4KMW
 | | Structure of the Y34N MUTANT OF DEHALOPEROXIDASE-HEMOGLOBIN A FROM AMPHITRITE ORNATA WITH 2,4,6-TRICHLOROPHENOL | | Descriptor: | 2,4,6-trichlorophenol, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Wang, C, Lovelace, L, Lebioda, L. | | Deposit date: | 2013-05-08 | | Release date: | 2013-09-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Complexes of dual-function hemoglobin/dehaloperoxidase with substrate 2,4,6-trichlorophenol are inhibitory and indicate binding of halophenol to compound I.
Biochemistry, 52, 2013
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4KJT
 | | Structure of the L100F MUTANT OF DEHALOPEROXIDASE-HEMOGLOBIN A FROM AMPHITRITE ORNATA WITH OXYGEN | | Descriptor: | 1,2-ETHANEDIOL, Dehaloperoxidase A, OXYGEN MOLECULE, ... | | Authors: | Wang, C, Lovelace, L, Lebioda, L. | | Deposit date: | 2013-05-03 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Influence of heme environment structure on dioxygen affinity for the dual function Amphitrite ornata hemoglobin/dehaloperoxidase. Insights into the evolutional structure-function adaptations.
Arch.Biochem.Biophys., 545, 2014
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5TF8
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dTTP | | Descriptor: | Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE | | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | Deposit date: | 2016-09-24 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.861 Å) | | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
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5TFJ
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dCTP | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | Deposit date: | 2016-09-25 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
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