5RUX
 
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002020050 | | Descriptor: | 1,3-dihydro-2H-indol-2-one, Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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5RVF
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000082473428_N3 | | Descriptor: | 3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine, Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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3B1V
 | | Crystal structure of an S. thermophilus NFeoB E67A mutant bound to mGMPPNP | | Descriptor: | 3'-O-(N-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate, CHLORIDE ION, Ferrous iron uptake transporter protein B, ... | | Authors: | Ash, M.R, Maher, M.J, Guss, J.M, Jormakka, M. | | Deposit date: | 2011-07-15 | | Release date: | 2011-11-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A suite of Switch I and Switch II mutant structures from the G-protein domain of FeoB
Acta Crystallogr.,Sect.D, 67, 2011
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3B3R
 | | Crystal structure of Streptomyces cholesterol oxidase H447Q/E361Q mutant bound to glycerol (0.98A) | | Descriptor: | Cholesterol oxidase, FLAVIN-N7 PROTONATED-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Lyubimov, A.Y, Heard, K, Tang, H, Sampson, N.S, Vrielink, A. | | Deposit date: | 2007-10-22 | | Release date: | 2007-12-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Distortion of flavin geometry is linked to ligand binding in cholesterol oxidase
Protein Sci., 16, 2007
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3B6S
 | | Crystal Structure of hla-b*2705 Complexed with the Citrullinated Vasoactive Intestinal Peptide Type 1 Receptor (vipr) Peptide (residues 400-408) | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ... | | Authors: | Beltrami, A, Rossmann, M, Fiorillo, M.T, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, A. | | Deposit date: | 2007-10-29 | | Release date: | 2008-07-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Citrullination-dependent Differential Presentation of a Self-peptide by HLA-B27 Subtypes.
J.Biol.Chem., 283, 2008
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3B7D
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3B8Z
 | | High Resolution Crystal Structure of the Catalytic Domain of ADAMTS-5 (Aggrecanase-2) | | Descriptor: | CALCIUM ION, N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide, ZINC ION, ... | | Authors: | Shieh, H.-S, Williams, J.M, Mathis, K.J, Tortorella, M.D, Tomasselli, A. | | Deposit date: | 2007-11-02 | | Release date: | 2007-12-11 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High resolution crystal structure of the catalytic domain of ADAMTS-5 (aggrecanase-2).
J.Biol.Chem., 283, 2008
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3BH9
 | | Crystal Structure of RTY Phosphopeptide Bound to Human Class I MHC HLA-A2 | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Mohammed, F, Cobbold, M, Zarling, A.L, Salim, M, Barrett-Wilt, G.A, Shabanowitz, J, Hunt, D.F, Engelhard, V.H, Willcox, B.E. | | Deposit date: | 2007-11-28 | | Release date: | 2008-10-21 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Phosphorylation-dependent interaction between antigenic peptides and MHC class I: a molecular basis for the presentation of transformed self
Nat.Immunol., 9, 2008
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3BEG
 | | Crystal structure of SR protein kinase 1 complexed to its substrate ASF/SF2 | | Descriptor: | ALANINE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PHOSPHOSERINE, ... | | Authors: | Ngo, J.C, Giang, K, Chakrabarti, S, Ma, C.-T, Huynh, N, Hagopian, J, Dorrestein, P.C, Fu, X.-D, Adams, J.A, Ghosh, G. | | Deposit date: | 2007-11-18 | | Release date: | 2008-04-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A sliding docking interaction is essential for sequential and
processive phosphorylation of an SR protein by SRPK1
Mol.Cell, 29, 2008
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3BEP
 | | Structure of a sliding clamp on DNA | | Descriptor: | 1-(3-hydroxypropyl)-2-{(1E,3E,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-y l}-3,3-dimethyl-3H-indolium, DNA (5'-D(*DTP*DTP*DTP*DTP*DAP*DTP*DAP*DCP*DGP*DAP*DTP*DGP*DGP*DG)-3'), DNA (5'-D(P*DCP*DCP*DCP*DAP*DTP*DCP*DGP*DTP*DAP*DT)-3'), ... | | Authors: | Georgescu, R.E, Kim, S.S, Yurieva, O, Kuriyan, J, Kong, X.-P, O'Donnell, M. | | Deposit date: | 2007-11-19 | | Release date: | 2008-01-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structure of a sliding clamp on DNA
Cell(Cambridge,Mass.), 132, 2008
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3BJM
 | | Crystal structure of human DPP-IV in complex with (1S,3S, 5S)-2-[(2S)-2-AMINO-2-(3-HYDROXYTRICYCLO[3.3.1.13,7]DEC-1- YL)ACETYL]-2-AZABICYCLO[3.1.0]HEXANE-3-CARBONITRILE (CAS), (1S,3S,5S)-2-((2S)-2-AMINO-2-(3-HYDROXYADAMANTAN-1- YL)ACETYL)-2-AZABICYCLO[3.1.0]HEXANE-3-CARBONITRILE (IUPAC), OR BMS-477118 | | Descriptor: | (2~{S})-2-azanyl-1-[(1~{S},3~{S},5~{S})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{R},7~{S})-3-oxidanyl-1-ad amantyl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 | | Authors: | Klei, H.E. | | Deposit date: | 2007-12-04 | | Release date: | 2008-04-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Involvement of DPP-IV catalytic residues in enzyme-saxagliptin complex formation.
Protein Sci., 17, 2008
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3B1Z
 | | Crystal structure of an S. thermophilus NFeoB T35S mutant without nucleotide | | Descriptor: | Ferrous iron uptake transporter protein B, SULFATE ION | | Authors: | Ash, M.R, Maher, M.J, Guss, J.M, Jormakka, M. | | Deposit date: | 2011-07-15 | | Release date: | 2011-11-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A suite of Switch I and Switch II mutant structures from the G-protein domain of FeoB
Acta Crystallogr.,Sect.D, 67, 2011
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3BII
 | | Crystal Structure of Activated MPT Synthase | | Descriptor: | CHLORIDE ION, Molybdopterin-converting factor subunit 1, Molybdopterin-converting factor subunit 2 | | Authors: | Daniels, J.N, Schindelin, H. | | Deposit date: | 2007-11-30 | | Release date: | 2008-02-19 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a molybdopterin synthase-precursor Z complex: insight into its sulfur transfer mechanism and its role in molybdenum cofactor deficiency.
Biochemistry, 47, 2008
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3B3V
 | | Crystal structure of the S228A mutant of the aminopeptidase from Vibrio proteolyticus | | Descriptor: | Bacterial leucyl aminopeptidase, SODIUM ION, THIOCYANATE ION, ... | | Authors: | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | | Deposit date: | 2007-10-22 | | Release date: | 2007-11-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus.
Biochemistry, 47, 2008
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3B52
 | | Ni,Fe-CODH-600 mV state + CO2 | | Descriptor: | CARBON DIOXIDE, Carbon monoxide dehydrogenase 2, FE (II) ION, ... | | Authors: | Jeoung, J.H, Dobbek, H. | | Deposit date: | 2007-10-25 | | Release date: | 2007-12-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Carbon dioxide activation at the Ni,Fe-cluster of anaerobic carbon monoxide dehydrogenase.
Science, 318, 2007
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3B6R
 | | Crystal structure of Human Brain-type Creatine Kinase | | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Creatine kinase B-type, ... | | Authors: | Bong, S.M, Moon, J.H, Hwang, K.Y. | | Deposit date: | 2007-10-29 | | Release date: | 2008-11-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural studies of human brain-type creatine kinase complexed with the ADP-Mg2+-NO3- -creatine transition-state analogue complex
Febs Lett., 582, 2008
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3B1X
 | | Crystal structure of an S. thermophilus NFeoB E66A mutant bound to GMPPNP | | Descriptor: | Ferrous iron uptake transporter protein B, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Ash, M.R, Maher, M.J, Guss, J.M, Jormakka, M. | | Deposit date: | 2011-07-15 | | Release date: | 2011-11-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | A suite of Switch I and Switch II mutant structures from the G-protein domain of FeoB
Acta Crystallogr.,Sect.D, 67, 2011
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3BC3
 | | Exploring inhibitor binding at the S subsites of cathepsin L | | Descriptor: | Cathepsin L heavy and light chains, S-benzyl-N-(biphenyl-4-ylacetyl)-L-cysteinyl-N~5~-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)-L-tyrosinamide | | Authors: | Chowdhury, S.F, Joseph, L, Kumar, S, Tulsidas, S.R, Bhat, S, Ziomek, E, Nard, R.M, Sivaraman, J, Purisima, E.O. | | Deposit date: | 2007-11-12 | | Release date: | 2008-03-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Exploring inhibitor binding at the S' subsites of cathepsin L
J.Med.Chem., 51, 2008
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3B5H
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3B6G
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5RSL
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000365052868 | | Descriptor: | 6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine, Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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3B8B
 | | Crystal structure of CysQ from Bacteroides thetaiotaomicron, a bacterial member of the inositol monophosphatase family | | Descriptor: | CHLORIDE ION, CysQ, sulfite synthesis pathway protein, ... | | Authors: | Cuff, M.E, Mulligan, R, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-10-31 | | Release date: | 2007-12-18 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The structure of CysQ from Bacteroides thetaiotaomicron, a bacterial member of the inositol monophosphatase family.
TO BE PUBLISHED
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5RT1
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039810 | | Descriptor: | 2,3-dihydro-1-benzofuran-5-carboxylic acid, Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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3CGY
 | | Crystal Structure of Salmonella Sensor Kinase PhoQ catalytic domain in complex with radicicol | | Descriptor: | RADICICOL, Virulence sensor histidine kinase phoQ | | Authors: | Guarnieri, M.T, Zhang, L, Shen, J, Zhao, R. | | Deposit date: | 2008-03-06 | | Release date: | 2008-05-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Hsp90 inhibitor radicicol interacts with the ATP-binding pocket of bacterial sensor kinase PhoQ.
J.Mol.Biol., 379, 2008
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5RTI
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004219237 | | Descriptor: | 3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid, Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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