6K0Z
 
 | | Substrate bound state of Staphylococcus Aureus AldH | | Descriptor: | 1,2-ETHANEDIOL, Aldehyde dehydrogenase, GLYCEROL | | Authors: | Zhang, Z, Tao, X. | | Deposit date: | 2019-05-08 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.4967258 Å) | | Cite: | Structural Insight into the Substrate Gating Mechanism by Staphylococcus aureus Aldehyde Dehydrogenase
CCS Chemistry, 2, 2020
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2P8S
 | | Human dipeptidyl peptidase IV/CD26 in complex with a cyclohexalamine inhibitor | | Descriptor: | (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Scapin, G, Biftu, T. | | Deposit date: | 2007-03-23 | | Release date: | 2007-05-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rational design of a novel, potent, and orally bioavailable cyclohexylamine DPP-4 inhibitor by application of molecular modeling and X-ray crystallography of sitagliptin
Bioorg.Med.Chem.Lett., 17, 2007
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5ZX1
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1D5X
 | | X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH DIPEPTIDE MIMETIC AND SEB | | Descriptor: | DIPEPTIDE MIMETIC INHIBITOR, ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN | | Authors: | Swain, A, Crowther, R, Kammlott, U. | | Deposit date: | 1999-10-12 | | Release date: | 2000-06-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
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1D5Z
 | | X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDOMIMETIC AND SEB | | Descriptor: | PROTEIN (ENTEROTOXIN TYPE B), PROTEIN (HLA CLASS II HISTOCOMPATIBILITY ANTIGEN), PROTEIN (PEPTIDOMIMETIC INHIBITOR) | | Authors: | Swain, A, Crowther, R, Kammlott, U. | | Deposit date: | 1999-10-12 | | Release date: | 2000-06-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
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1D6E
 | | CRYSTAL STRUCTURE OF HLA-DR4 COMPLEX WITH PEPTIDOMIMETIC AND SEB | | Descriptor: | ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, PEPTIDOMIMETIC INHIBITOR | | Authors: | Swain, A, Crowther, R, Kammlott, U. | | Deposit date: | 1999-10-13 | | Release date: | 2000-06-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
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4X0N
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5XJN
 | | cytochrome P450 CREJ in complex with (4-ethylphenyl) dihydrogen phosphate | | Descriptor: | (4-ethylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Dong, S, Du, L, Li, S, Feng, Y. | | Deposit date: | 2017-05-03 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6LYR
 | | Structure of the BAM complex | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Xiao, L, Huang, Y. | | Deposit date: | 2020-02-15 | | Release date: | 2021-01-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.28 Å) | | Cite: | Structures of the beta-barrel assembly machine recognizing outer membrane protein substrates.
Faseb J., 35, 2021
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6M4S
 | | Crystal Structure Analysis of the cytochrome P450 CYP-Sb21 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Cytochrome P450 hydroxylase sb21, ... | | Authors: | Li, F.W, Li, S.Y. | | Deposit date: | 2020-03-09 | | Release date: | 2021-02-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-guided manipulation of the regioselectivity of the cyclosporine A hydroxylase CYP-sb21 from Sebekia benihana .
Synth Syst Biotechnol, 5, 2020
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6LYS
 | | Structure of the BAM complex | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Xiao, L, Huang, Y. | | Deposit date: | 2020-02-15 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structures of the beta-barrel assembly machine recognizing outer membrane protein substrates.
Faseb J., 35, 2021
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6MC1
 | | Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one, ACETATE ION, ... | | Authors: | Gannam, Z.T.K, Anderson, K.S, Bennett, A.M, Lolis, E. | | Deposit date: | 2018-08-30 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An allosteric site on MKP5 reveals a strategy for small-molecule inhibition.
Sci.Signal., 13, 2020
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7BTO
 | | EcoR124I-ArdA in the Translocation State | | Descriptor: | Antirestriction protein ArdA, Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ... | | Authors: | Gao, Y, Gao, P. | | Deposit date: | 2020-04-02 | | Release date: | 2020-05-27 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.97 Å) | | Cite: | Structural insights into assembly, operation and inhibition of a type I restriction-modification system.
Nat Microbiol, 5, 2020
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7BTQ
 | | EcoR124I-DNA in the Restriction-Alleviation State | | Descriptor: | DNA (64-MER), Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ... | | Authors: | Gao, Y, Gao, P. | | Deposit date: | 2020-04-02 | | Release date: | 2020-05-27 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.54 Å) | | Cite: | Structural insights into assembly, operation and inhibition of a type I restriction-modification system.
Nat Microbiol, 5, 2020
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8GXP
 | | Complex structure of RORgama with betulinic acid | | Descriptor: | Betulinic acid, Nuclear receptor ROR-gamma | | Authors: | Zhang, X.L, Xu, C, Bai, F. | | Deposit date: | 2022-09-20 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR gamma antagonists.
Eur.J.Med.Chem., 257, 2023
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4XW2
 | | Structural basis for simvastatin competitive antagonism of complement receptor 3 | | Descriptor: | Integrin alpha-M, MAGNESIUM ION, Simvastatin acid | | Authors: | Bajic, G, Jensen, M.R, Vorup-Jensen, T, Andersen, G.R. | | Deposit date: | 2015-01-28 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Structural Basis for Simvastatin Competitive Antagonism of Complement Receptor 3.
J.Biol.Chem., 291, 2016
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7BTP
 | | EcoR124I-Ocr in Restriction-Alleviation State | | Descriptor: | Overcome classical restriction gp0.3, Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ... | | Authors: | Gao, Y, Gao, P. | | Deposit date: | 2020-04-02 | | Release date: | 2020-05-27 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.01 Å) | | Cite: | Structural insights into assembly, operation and inhibition of a type I restriction-modification system.
Nat Microbiol, 5, 2020
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3NER
 | | Structure of Human Type B Cytochrome b5 | | Descriptor: | Cytochrome b5 type B, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Terzyan, S, Zhang, C, Rivera, M, Benson, D.B. | | Deposit date: | 2010-06-09 | | Release date: | 2011-05-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Accommodating a Non-Conservative Internal Mutation by Water-Mediated Hydrogen-Bonding Between beta-Sheet Strands: A Comparison of Human and Rat Type B (Mitochondrial) Cytochrome b5
Biochemistry, 50, 2011
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8HK5
 | | C5aR1-Gi-C5a protein complex | | Descriptor: | C5a anaphylatoxin chemotactic receptor 1, Complement C5, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E. | | Deposit date: | 2022-11-24 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
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8HK3
 | | C3aR-Gi-apo protein complex | | Descriptor: | C3a anaphylatoxin chemotactic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E. | | Deposit date: | 2022-11-24 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
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8HK2
 | | C3aR-Gi-C3a protein complex | | Descriptor: | C3a anaphylatoxin, C3a anaphylatoxin chemotactic receptor, CHOLESTEROL, ... | | Authors: | Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E. | | Deposit date: | 2022-11-24 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
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7BST
 | | EcoR124I-Ocr in the Intermediate State | | Descriptor: | Overcome classical restriction gp0.3, Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ... | | Authors: | Gao, Y, Gao, P. | | Deposit date: | 2020-03-31 | | Release date: | 2020-05-27 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.37 Å) | | Cite: | Structural insights into assembly, operation and inhibition of a type I restriction-modification system.
Nat Microbiol, 5, 2020
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7BTR
 | | EcoR124I-ArdA in the Restriction-Alleviation State | | Descriptor: | Antirestriction protein ArdA, Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ... | | Authors: | Gao, Y, Gao, P. | | Deposit date: | 2020-04-02 | | Release date: | 2020-05-27 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.54 Å) | | Cite: | Structural insights into assembly, operation and inhibition of a type I restriction-modification system.
Nat Microbiol, 5, 2020
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8HVS
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5XNL
 | | Structure of stacked C2S2M2-type PSII-LHCII supercomplex from Pisum sativum | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Su, X.D, Ma, J, Wei, X.P, Cao, P, Zhu, D.J, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M. | | Deposit date: | 2017-05-23 | | Release date: | 2017-09-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structure and assembly mechanism of plant C2S2M2-type PSII-LHCII supercomplex
Science, 357, 2017
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