1XUF
 
 | | TRYPSIN-BABIM-ZN+2, PH 8.2 | | Descriptor: | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC, CALCIUM ION, TRYPSIN | | Authors: | Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. | | Deposit date: | 1997-10-10 | | Release date: | 1998-12-16 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
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1BQZ
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2YIA
 | | Structure of the RNA polymerase VP1 from Infectious Pancreatic Necrosis Virus | | Descriptor: | POTASSIUM ION, RNA-DIRECTED RNA POLYMERASE | | Authors: | Graham, S.C, Sarin, L.P, Bahar, M.W, Myers, R.A, Stuart, D.I, Bamford, D.H, Grimes, J.M. | | Deposit date: | 2011-05-11 | | Release date: | 2011-07-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | The N-Terminus of the RNA Polymerase from Infectious Pancreatic Necrosis Virus is the Determinant of Genome Attachment.
Plos Pathog., 7, 2011
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1XPR
 | | Structural mechanism of inhibition of the Rho transcription termination factor by the antibiotic 5a-formylbicyclomycin (FB) | | Descriptor: | 5'-R(*CP*UP*CP*UP*CP*UP*CP*U)-3', 5A-FORMYLBICYCLOMYCIN, MAGNESIUM ION, ... | | Authors: | Skordalakes, E, Brogan, A.P, Park, B.S, Kohn, H, Berger, J.M. | | Deposit date: | 2004-10-09 | | Release date: | 2004-11-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural mechanism of inhibition of the rho transcription termination factor by the antibiotic bicyclomycin
Structure, 13, 2005
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1XO7
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2Y76
 | | Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-5-ylmethoxy)-2-(benzo(b) thiophen-5-ylmethyl)-1,4,5-trihydroxycyclohex-2-enecarboxylate | | Descriptor: | (1R,4S,5R)-3-(BENZO[b]THIOPHEN-5-YL)METHOXY-2-(BENZO[b]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2011-01-28 | | Release date: | 2011-08-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
J. Med. Chem., 54, 2011
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4CS9
 | | Crystal structure of the asymmetric human metapneumovirus M2-1 tetramer bound to adenosine monophosphate | | Descriptor: | ADENOSINE MONOPHOSPHATE, M2-1, ZINC ION | | Authors: | Leyrat, C, Renner, M, Harlos, K, Grimes, J.M. | | Deposit date: | 2014-03-05 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Drastic Changes in Conformational Dynamics of the Antiterminator M2-1 Regulate Transcription Efficiency in Pneumovirinae.
Elife, 3, 2014
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2Y77
 | | Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-2-ylmethoxy)-1,4,5- trihydroxy-2-(thiophen-2-ylmethyl)cyclohex-2-enecarboxylate | | Descriptor: | (1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2011-01-28 | | Release date: | 2011-08-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
J. Med. Chem., 54, 2011
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6FD3
 | | Thiophosphorylated PAK3 kinase domain | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Sorrell, F.J, Wang, D, von Delft, F, Bountra, C, Edwards, A.M, Elkins, J.M. | | Deposit date: | 2017-12-21 | | Release date: | 2018-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Solution structures and biophysical analysis of full-length group A PAKs reveal they are monomeric and auto-inhibited incis.
Biochem.J., 476, 2019
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3B9J
 | | Structure of Xanthine Oxidase with 2-hydroxy-6-methylpurine | | Descriptor: | 6-methyl-3,9-dihydro-2H-purin-2-one, CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, ... | | Authors: | Pauff, J.M, Zhang, J, Bell, C.E, Hille, R. | | Deposit date: | 2007-11-05 | | Release date: | 2007-12-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Substrate orientation in xanthine oxidase: crystal structure of enzyme in reaction with 2-hydroxy-6-methylpurine.
J.Biol.Chem., 283, 2008
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3BCU
 | | Glucogen Phosphorylase complex with thymidine | | Descriptor: | Glycogen phosphorylase, muscle form, THYMIDINE | | Authors: | Sovantzis, D.A, Hadjiloi, T, Hayes, J.M, Zographos, S.E, Chrysina, E.D, Oikonomakos, N.G. | | Deposit date: | 2007-11-13 | | Release date: | 2008-11-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | D-Glucopyranosyl pyrimidine nucleoside binding to muscle glycogen phosphorylase b
To be Published
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4CI7
 | | The crystal structure of the cysteine protease and lectin-like domains of Cwp84, a surface layer associated protein of Clostridium difficile | | Descriptor: | CALCIUM ION, CELL SURFACE PROTEIN (PUTATIVE CELL SURFACE-ASSOCIATED CYSTEINE PROTEASE), GLYCEROL, ... | | Authors: | Bradshaw, W.J, Kirby, J.M, Thiyagarajan, N, Chambers, C.J, Davies, A.H, Roberts, A.K, Shone, C.C, Acharya, K.R. | | Deposit date: | 2013-12-06 | | Release date: | 2014-05-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Structure of the Cysteine Protease and Lectin-Like Domains of Cwp84, a Surface Layer-Associated Protein from Clostridium Difficile
Acta Crystallogr.,Sect.D, 70, 2014
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1XYE
 | | T-to-THigh Transitions in Human Hemoglobin: alpha Y42A deoxy low salt | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A, Hui, H.L, Wierzba, A, DeYoung, A, Kwiatkowski, L.D, Noble, R.W, Juszczak, L.J, Peterson, E.S, Friedman, J.M. | | Deposit date: | 2004-11-09 | | Release date: | 2004-11-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Intersubunit interactions associated with tyr42alpha stabilize the quaternary-T tetramer but are not major quaternary constraints in deoxyhemoglobin
Biochemistry, 44, 2005
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1XZ2
 | | wild-type hemoglobin deoxy no-salt | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A, Hui, H.L, Wierzba, A, DeYoung, A, Kwiatkowski, L.D, Noble, R.W, Juszczak, L.J, Peterson, E.S, Friedman, J.M. | | Deposit date: | 2004-11-11 | | Release date: | 2004-11-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Intersubunit interactions associated with tyr42alpha stabilize the quaternary-T tetramer but are not major quaternary constraints in deoxyhemoglobin
Biochemistry, 44, 2005
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3B1Y
 | | Crystal structure of an S. thermophilus NFeoB T35A mutant bound to GDP | | Descriptor: | AMINOPHOSPHONIC ACID-GUANYLATE ESTER, 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 (2.5 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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4CIX
 | | Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with(1R,4R,5R)-1,4,5-trihydroxy-3-((1S)-1-hydroxy-2-phenyl) ethylcyclohex-2-en-1-carboxylic acid | | Descriptor: | (1R,4R,5R)-1,4,5-trihydroxy-3-[(1S)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Lamb, H, Hawkins, A.R, Blanco, B, Sedes, A, Peon, A, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2013-12-17 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Exploring the water-binding pocket of the type II dehydroquinase enzyme in the structure-based design of inhibitors.
J. Med. Chem., 57, 2014
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3BIA
 | | Tim-4 in complex with sodium potassium tartrate | | Descriptor: | L(+)-TARTARIC ACID, SODIUM ION, T-cell immunoglobulin and mucin domain-containing protein 4 | | Authors: | Santiago, C, Ballesteros, A, Kaplan, G.G, Freeman, G.J, Casasnovas, J.M. | | Deposit date: | 2007-11-30 | | Release date: | 2008-01-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of T Cell Immunoglobulin Mucin Protein 4 Show a Metal-Ion-Dependent Ligand Binding Site where Phosphatidylserine Binds.
Immunity, 27, 2007
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4D69
 | | SOYBEAN AGGLUTININ FROM GLYCINE MAX IN COMPLEX WITH THE ANTIGEN Tn | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LECTIN, ... | | Authors: | Madariaga, D, Martinez-Saez, N, Somovilla, V.J, Coelho, H, Valero-Gonzalez, J, Castro-Lopez, J, Asensio, J.L, Jimenez-Barbero, J, Busto, J.H, Avenoza, A, Marcelo, F, Hurtado-Guerrero, R, Corzana, F, Peregrina, J.M. | | Deposit date: | 2014-11-10 | | Release date: | 2014-11-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Detection of Tumor-Associated Glycopeptides by Lectins: The Peptide Context Modulates Carbohydrate Recognition.
Acs Chem.Biol., 10, 2015
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6FQ3
 | | Crystal structure of Danio rerio Lin41 filamin-NHL domains in complex with lin-29A 5'UTR 13mer RNA | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase TRIM71, RNA (5'-R(*GP*GP*AP*GP*UP*CP*CP*AP*AP*CP*UP*CP*C)-3') | | Authors: | Kumari, P, Aeschimann, F, Gaidatzis, D, Keusch, J.J, Ghosh, P, Neagu, A, Pachulska-Wieczorek, K, Bujnicki, J.M, Gut, H, Grosshans, H, Ciosk, R. | | Deposit date: | 2018-02-13 | | Release date: | 2018-05-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Evolutionary plasticity of the NHL domain underlies distinct solutions to RNA recognition.
Nat Commun, 9, 2018
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3BDA
 | | Glycogen Phosphorylase complex with 1(-D-glucopyranosyl) cyanuric acid | | Descriptor: | 1-beta-D-glucopyranosyl-1,3,5-triazinane-2,4,6-trione, Glycogen phosphorylase, muscle form, ... | | Authors: | Sovantzis, D.A, Hadjiloi, T, Hayes, J.M, Zographos, S.E, Chrysina, E.D, Oikonomakos, N.G. | | Deposit date: | 2007-11-14 | | Release date: | 2008-11-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | D-Glucopyranosyl pyrimidine nucleoside binding to muscle glycogen phosphorylase b
To be Published
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1YMT
 | | Mouse SF-1 LBD | | Descriptor: | 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL, Nuclear receptor 0B2, Steroidogenic factor 1 | | Authors: | Krylova, I.N, Sablin, E.P, Moore, J, Xu, R.X, Waitt, G.M, Juzumiene, D, Bynum, J.M, Fletterick, R.J, Willson, T.M, Ingraham, H.A. | | Deposit date: | 2005-01-21 | | Release date: | 2005-03-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1
Cell(Cambridge,Mass.), 120, 2005
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3BGE
 | | Crystal structure of the C-terminal fragment of AAA+ATPase from Haemophilus influenzae | | Descriptor: | Predicted ATPase, SULFATE ION | | Authors: | Ramagopal, U.A, Patskovsky, Y, Bonanno, J.B, Meyer, A.J, Toro, R, Freeman, J, Adams, J, Koss, J, Maletic, M, Gheyi, T, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-11-26 | | Release date: | 2008-01-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of the C-terminal fragment of AAA+ATPase from Haemophilus influenzae.
To be Published
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4D11
 | | GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 peptide and manganese (Lower resolution dataset) | | Descriptor: | 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, MANGANESE (II) ION, PEPTIDE, ... | | Authors: | Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R. | | Deposit date: | 2014-05-01 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4D9U
 | | Rsk2 C-terminal Kinase Domain, (E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate | | Descriptor: | Ribosomal protein S6 kinase alpha-3, SODIUM ION, tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate | | Authors: | Serafimova, I.M, Pufall, M.A, Krishnan, S, Duda, K, Cohen, M.S, Maglathlin, R.L, McFarland, J.M, Miller, R.M, Frodin, M, Taunton, J. | | Deposit date: | 2012-01-12 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles.
Nat.Chem.Biol., 8, 2012
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3B40
 | | Crystal structure of the probable dipeptidase PvdM from Pseudomonas aeruginosa | | Descriptor: | CADMIUM ION, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Bonanno, J.B, Patskovsky, Y, Dickey, M, Bain, K.T, Mendoza, M, Fong, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-10-23 | | Release date: | 2007-11-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the probable dipeptidase PvdM from Pseudomonas aeruginosa.
To be Published
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