4WUM
 
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3MS9
 | | ABL kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket | | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, Tyrosine-protein kinase ABL1, ... | | Authors: | Cowan-Jacob, S.W, Rummel, G, Fendrich, G. | | Deposit date: | 2010-04-29 | | Release date: | 2010-05-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay.
J.Am.Chem.Soc., 132, 2010
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3UNY
 | | Bacillus cereus phosphopentomutase T85E variant soaked with glucose 1,6-bisphosphate | | Descriptor: | GLYCEROL, MANGANESE (II) ION, Phosphopentomutase | | Authors: | Iverson, T.M, Birmingham, W.R, Panosian, T.D, Nannemann, D.P, Bachmann, B.O. | | Deposit date: | 2011-11-16 | | Release date: | 2012-02-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Molecular Differences between a Mutase and a Phosphatase: Investigations of the Activation Step in Bacillus cereus Phosphopentomutase.
Biochemistry, 51, 2012
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3UNW
 | | Crystal Structure of Human GAC in Complex with Glutamate | | Descriptor: | GLUTAMIC ACID, Glutaminase kidney isoform, mitochondrial | | Authors: | DeLaBarre, B, Gross, S, Cheng, F, Gao, Y, Jha, A, Jiang, F, Song, J.J, Wie, W, Hurov, J. | | Deposit date: | 2011-11-16 | | Release date: | 2011-12-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Full-length human glutaminase in complex with an allosteric inhibitor.
Biochemistry, 50, 2011
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6CNG
 | | The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B3 protein loaded with linoleic acid to 1.47 Angstrom resolution | | Descriptor: | ACETATE ION, Fatty Acid Kinase (Fak) B3 protein, GLYCEROL, ... | | Authors: | Cuypers, M.G, Subramanian, C, White, S.W, Rock, C.O. | | Deposit date: | 2018-03-08 | | Release date: | 2019-07-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B3 protein loaded with linoleic acid to 1.47 Angstrom resolution
To Be Published
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8IHS
 | | Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 in complex with ochratoxin A | | Descriptor: | (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, Amidohydrolase family protein, ZINC ION | | Authors: | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-02-23 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase.
J Hazard Mater, 458, 2023
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2RGK
 | | Functional annotation of Escherichia coli yihS-encoded protein | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Uncharacterized sugar isomerase yihS | | Authors: | Itoh, T, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2007-10-03 | | Release date: | 2008-08-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of YihS in complex with D-mannose: structural annotation of Escherichia coli and Salmonella enterica yihS-encoded proteins to an aldose-ketose isomerase
J.Mol.Biol., 377, 2008
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2SGP
 | | PRO 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 6.5 | | Descriptor: | OVOMUCOID INHIBITOR, PHOSPHATE ION, PROTEINASE B | | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-03-25 | | Release date: | 2001-01-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I
J.Mol.Biol., 305, 2001
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5O6B
 | | Structure of ScPif1 in complex with GGGTTTT and ADP-AlF4 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, DNA (5'-D(*GP*GP*GP*TP*TP*T)-3'), ... | | Authors: | Lu, K.Y, Chen, W.F, Rety, S, Liu, N.N, Xu, X.G. | | Deposit date: | 2017-06-06 | | Release date: | 2017-12-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.029 Å) | | Cite: | Insights into the structural and mechanistic basis of multifunctional S. cerevisiae Pif1p helicase.
Nucleic Acids Res., 46, 2018
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6CCR
 | | Selenomethionyl derivative of a GID4 fragment | | Descriptor: | Glucose-induced degradation protein 4 homolog, UNKNOWN ATOM OR ION | | Authors: | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-07 | | Release date: | 2018-04-04 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018
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8IHR
 | | Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 in complex with Phe | | Descriptor: | Amidohydrolase family protein, PHENYLALANINE, ZINC ION | | Authors: | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-02-23 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase.
J Hazard Mater, 458, 2023
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8IHQ
 | | Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 | | Descriptor: | Amidohydrolase family protein, ZINC ION | | Authors: | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-02-23 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase.
J Hazard Mater, 458, 2023
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6CSP
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8ILA
 | | Crystal structure of LmbT from Streptomyces lincolnensis NRRL ISP-5355 in complex with substrates | | Descriptor: | (2~{S})-3-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-1~{H}-imidazol-5-yl]-2-(trimethyl-$l^{4}-azanyl)propanoic acid, GUANOSINE-5'-DIPHOSPHATE, Glycosyltransferase | | Authors: | Dai, Y, Qiao, H, Xia, M, Fang, P, Liu, W. | | Deposit date: | 2023-03-03 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structural Basis of Low-Molecular-Weight Thiol Glycosylation in Lincomycin A Biosynthesis.
Acs Chem.Biol., 18, 2023
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5O2E
 | | Crystal structure of NDM-1 in complex with hydrolyzed cefuroxime - new refinement | | Descriptor: | (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | | Deposit date: | 2017-05-20 | | Release date: | 2018-12-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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5O4K
 | | Crystal structure of P450 CYP121 in complex with compound 6b. | | Descriptor: | 1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Levy, C.W. | | Deposit date: | 2017-05-29 | | Release date: | 2018-03-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation.
J. Med. Chem., 60, 2017
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3V5U
 | | Structure of Sodium/Calcium Exchanger from Methanocaldococcus jannaschii DSM 2661 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ACETATE ION, CALCIUM ION, ... | | Authors: | Jiang, Y, Liao, J, Li, H, Zeng, W, Sauer, D, Belmares, R. | | Deposit date: | 2011-12-16 | | Release date: | 2012-02-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insight into the ion-exchange mechanism of the sodium/calcium exchanger.
Science, 335, 2012
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2SGQ
 | | GLN 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 6.5 | | Descriptor: | Ovomucoid, PHOSPHATE ION, Streptogrisin B | | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-03-25 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pH's
To be Published
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6CD9
 | | GID4 in complex with a peptide | | Descriptor: | Glucose-induced degradation protein 4 homolog, Tetrapeptide PSRW, UNKNOWN ATOM OR ION | | Authors: | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-08 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018
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2TPK
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3VCD
 | | Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group R32 | | Descriptor: | CHLORIDE ION, Propanediol utilization polyhedral body protein PduT, SULFATE ION | | Authors: | Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. | | Deposit date: | 2012-01-03 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
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3VDC
 | | E. coli (lacZ) beta-galactosidase (N460T) in complex with IPTG | | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | Authors: | Wheatley, R.W, Kappelhoff, J.C, Hahn, J.N, Dugdale, M.L, Dutkoski, M.J, Tamman, S.D, Fraser, M.E, Huber, R.E. | | Deposit date: | 2012-01-04 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Substitution for Asn460 cripples {beta}-galactosidase (Escherichia coli) by increasing substrate affinity and decreasing transition state stability.
Arch.Biochem.Biophys., 521, 2012
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6CM2
 | | SAMHD1 HD domain bound to decitabine triphosphate | | Descriptor: | 6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Oellerich, T, Schneider, C, Thomas, D, Knecht, K.M, Buzovetsky, O, Kaderali, L, Schliemann, C, Bohnenberger, H, Angenendt, L, Hartmann, W, Wardelmann, E, Rothenburger, T, Mohr, S, Scheich, S, Comoglio, F, Wilke, A, Strobel, P, Serve, H, Michaelis, M, Ferreiros, N, Geisslinger, G, Xiong, Y, Keppler, O.T, Cinatl, J. | | Deposit date: | 2018-03-02 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Selective inactivation of hypomethylating agents by SAMHD1 provides a rationale for therapeutic stratification in AML.
Nat Commun, 10, 2019
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3VD9
 | | E. coli (lacZ) beta-galactosidase (N460S) in complex with IPTG | | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | Authors: | Wheatley, R.W, Kappelhoff, J.C, Hahn, J.N, Dugdale, M.L, Dutkoski, M.J, Tamman, S.D, Fraser, M.E, Huber, R.E. | | Deposit date: | 2012-01-04 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Substitution for Asn460 cripples {beta}-galactosidase (Escherichia coli) by increasing substrate affinity and decreasing transition state stability.
Arch.Biochem.Biophys., 521, 2012
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3VLW
 | | Crystal structure of Sphingomonas sp. A1 alginate-binding protein AlgQ1 in complex with mannuronate-guluronate disaccharide | | Descriptor: | AlgQ1, CALCIUM ION, GLYCEROL, ... | | Authors: | Nishitani, Y, Maruyama, Y, Itoh, T, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2011-12-05 | | Release date: | 2012-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Recognition of heteropolysaccharide alginate by periplasmic solute-binding proteins of a bacterial ABC transporter
Biochemistry, 51, 2012
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