5RG2
 
 | | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00025058 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide | | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-03-18 | | Release date: | 2020-04-15 | | Last modified: | 2021-02-24 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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1HAO
 | | COMPLEX OF HUMAN ALPHA-THROMBIN WITH A 15MER OLIGONUCLEOTIDE GGTTGGTGTGGTTGG (BASED ON NMR MODEL OF DNA) | | Descriptor: | ALPHA-THROMBIN heavy chain, ALPHA-THROMBIN light chain, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | | Authors: | Tulinsky, A, Padmanabhan, K. | | Deposit date: | 1995-10-03 | | Release date: | 1996-04-03 | | Last modified: | 2013-02-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | An ambiguous structure of a DNA 15-mer thrombin complex.
Acta Crystallogr.,Sect.D, 52, 1996
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4LK6
 | | Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with Chlorophenol Red-b-D-galactopyranoside at 2.86 A Resolution | | Descriptor: | 2-[(E)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid, CALCIUM ION, PA-I galactophilic lectin, ... | | Authors: | Kadam, R.U, Stocker, A, Reymond, J.L. | | Deposit date: | 2013-07-06 | | Release date: | 2013-10-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.859 Å) | | Cite: | CH-pi "T-Shape" Interaction with Histidine Explains Binding of Aromatic Galactosides to Pseudomonas aeruginosa Lectin LecA
Acs Chem.Biol., 8, 2013
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5UUD
 | | Tetragonal thermolysin cryocooled to 100 K with 50% dmf as cryoprotectant | | Descriptor: | CALCIUM ION, CHLORIDE ION, DIMETHYLFORMAMIDE, ... | | Authors: | Juers, D.H. | | Deposit date: | 2017-02-16 | | Release date: | 2017-03-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.60000348 Å) | | Cite: | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
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1C5I
 | | HYDROGEN BONDING AND CATALYSIS: AN UNEXPECTED EXPLANATION FOR HOW A SINGLE AMINO ACID SUBSTITUTION CAN CHANGE THE PH OPTIMUM OF A GLYCOSIDASE | | Descriptor: | ENDO-1,4-BETA-XYLANASE, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol | | Authors: | Joshi, M.D, Sidhu, G, Pot, I, Brayer, G.D, Withers, S.G, Mcintosh, L.P. | | Deposit date: | 1999-11-24 | | Release date: | 2000-05-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Hydrogen bonding and catalysis: a novel explanation for how a single amino acid substitution can change the pH optimum of a glycosidase.
J.Mol.Biol., 299, 2000
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3TVM
 | | Structure of the mouse CD1d-SMC124-iNKT TCR complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Girardi, E, Li, Y, Zajonc, D.M. | | Deposit date: | 2011-09-20 | | Release date: | 2012-02-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Glycolipids that Elicit IFN-gama-Biased Responses from Natural Killer T Cells
Chem.Biol., 18, 2011
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3K34
 | | Human carbonic anhydrase II with a sulfonamide inhibitor | | Descriptor: | (4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ... | | Authors: | Behnke, C.A, Le Trong, I, Merritt, E.A, Teller, D.C, Stenkamp, R.E. | | Deposit date: | 2009-10-01 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Atomic resolution studies of carbonic anhydrase II.
Acta Crystallogr.,Sect.D, 66, 2010
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3NB0
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2Q86
 | | Structure of the mouse invariant NKT cell receptor Valpha14 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Valpha14 TCR, Vbeta8.2, ... | | Authors: | Zajonc, D.M. | | Deposit date: | 2007-06-08 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structures of Mouse CD1d-iGb3 Complex and its Cognate Valpha14 T Cell Receptor Suggest a Model for Dual Recognition of Foreign and Self Glycolipids.
J.Mol.Biol., 377, 2008
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3ZL7
 | | BACE2 FYNOMER COMPLEX | | Descriptor: | BETA-SECRETASE 2, FYNOMER 2B-H11 | | Authors: | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | | Deposit date: | 2013-01-28 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
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1QQW
 | | CRYSTAL STRUCTURE OF HUMAN ERYTHROCYTE CATALASE | | Descriptor: | CATALASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ko, T.P, Safo, M.K, Musayev, F.N, Wang, C, Wu, S.H, Abraham, D.J. | | Deposit date: | 1999-06-09 | | Release date: | 1999-06-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure of human erythrocyte catalase.
Acta Crystallogr.,Sect.D, 56, 2000
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1AC5
 | | CRYSTAL STRUCTURE OF KEX1(DELTA)P, A PROHORMONE-PROCESSING CARBOXYPEPTIDASE FROM SACCHAROMYCES CEREVISIAE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, KEX1(DELTA)P | | Authors: | Shilton, B.H, Thomas, D.Y, Cygler, M. | | Deposit date: | 1997-02-13 | | Release date: | 1997-05-15 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of Kex1deltap, a prohormone-processing carboxypeptidase from Saccharomyces cerevisiae.
Biochemistry, 36, 1997
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3G7W
 | | Islet Amyloid Polypeptide (IAPP or Amylin) Residues 1 to 22 fused to Maltose Binding Protein | | Descriptor: | GLYCEROL, Maltose-binding periplasmic protein, Islet amyloid polypeptide fusion protein, ... | | Authors: | Wiltzius, J.J.W, Sawaya, M.R, Eisenberg, D. | | Deposit date: | 2009-02-11 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Atomic structures of IAPP (amylin) fusions suggest a mechanism for fibrillation and the role of insulin in the process
Protein Sci., 18, 2009
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1JX2
 | | CRYSTAL STRUCTURE OF THE NUCLEOTIDE-FREE DYNAMIN A GTPASE DOMAIN, DETERMINED AS MYOSIN FUSION | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-2 heavy chain,Dynamin-A, ... | | Authors: | Niemann, H.H, Knetsch, M.L.W, Scherer, A, Manstein, D.J, Kull, F.J. | | Deposit date: | 2001-09-05 | | Release date: | 2001-11-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a dynamin GTPase domain in both nucleotide-free and GDP-bound forms.
EMBO J., 20, 2001
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6KZ8
 | | Crystal structure of plant Phospholipase D alpha complex with phosphatidic acid | | Descriptor: | 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, CALCIUM ION, Phospholipase D alpha 1 | | Authors: | Li, J.X, Yu, F, Zhang, P. | | Deposit date: | 2019-09-23 | | Release date: | 2019-11-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.291 Å) | | Cite: | Crystal structure of plant PLD alpha 1 reveals catalytic and regulatory mechanisms of eukaryotic phospholipase D.
Cell Res., 30, 2020
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3FSF
 | | P38 kinase crystal structure in complex with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one | | Descriptor: | 3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Mitogen-activated protein kinase 14 | | Authors: | Kuglstatter, A, Bertrand, J, Lovejoy, B. | | Deposit date: | 2009-01-09 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
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1JYW
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1K21
 | | HUMAN THROMBIN-INHIBITOR COMPLEX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, Prothrombin, ... | | Authors: | Stubbs, M.T, Musil, D. | | Deposit date: | 2001-09-26 | | Release date: | 2002-05-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
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7W40
 | | Cryo-EM Structure of Human Gastrin Releasing Peptide Receptor in complex with the agonist Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] and Gq heterotrimers | | Descriptor: | Bombesin, 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: | Zhan, Y, Peng, S, Zhang, H. | | Deposit date: | 2021-11-26 | | Release date: | 2023-02-22 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structures of human gastrin-releasing peptide receptors bound to antagonist and agonist for cancer and itch therapy.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5UQL
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3G0B
 | | Crystal structure of dipeptidyl peptidase IV in complex with TAK-322 | | Descriptor: | 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | | Deposit date: | 2009-01-27 | | Release date: | 2010-02-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
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6KZ9
 | | Crystal structure of plant Phospholipase D alpha | | Descriptor: | CALCIUM ION, Phospholipase D alpha 1 | | Authors: | Li, J.X, Yu, F, Zhang, P. | | Deposit date: | 2019-09-23 | | Release date: | 2019-10-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Crystal structure of plant PLD alpha 1 reveals catalytic and regulatory mechanisms of eukaryotic phospholipase D.
Cell Res., 30, 2020
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3R1B
 | | Open crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene | | Descriptor: | (4-tert-butylphenyl)acetaldehyde, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | | Authors: | Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R. | | Deposit date: | 2011-03-09 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity.
Biochemistry, 50, 2011
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446D
 | | STRUCTURE OF THE OLIGONUCLEOTIDE D(CGTATATACG) AS A SITE SPECIFIC COMPLEX WITH NICKEL IONS | | Descriptor: | DNA (5'-D(*CP*GP*TP*AP*TP*AP*TP*AP*CP*G)-3'), NICKEL (II) ION | | Authors: | Abrescia, N.G.A, Malinina, L, Gonzaga, L.F, Huynh-Dinh, T, Neidle, S, Subirana, J.A. | | Deposit date: | 1999-01-15 | | Release date: | 1999-03-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the oligonucleotide d(CGTATATACG) as a site-specific complex with nickel ions.
Nucleic Acids Res., 27, 1999
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4AML
 | | CRYSTAL STRUCTURE OF WHEAT GERM AGGLUTININ ISOLECTIN 1 IN COMPLEX WITH GLYCOSYLURETHAN | | Descriptor: | 2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-alpha-D-glucopyranose, AGGLUTININ ISOLECTIN 1, GLYCEROL | | Authors: | Schwefel, D, Maierhofer, C, Beck, J.G, Seeberger, S, Diederichs, K, Moeller, H.M, Welte, W, Wittmann, V. | | Deposit date: | 2012-03-12 | | Release date: | 2012-04-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Basis of Multivalent Binding to Wheat Germ Agglutinin.
J.Am.Chem.Soc., 132, 2010
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