11AS
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2QAP
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2QD0
| Crystal structure of mitoNEET | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Zinc finger CDGSH domain-containing protein 1 | Authors: | Lin, J, Zhou, T, Ye, K, Wang, J. | Deposit date: | 2007-06-20 | Release date: | 2007-08-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal structure of human mitoNEET reveals distinct groups of iron sulfur proteins. Proc.Natl.Acad.Sci.Usa, 104, 2007
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4GLU
| Crystal structure of the mirror image form of VEGF-A | Descriptor: | ACETATE ION, D- Vascular endothelial growth factor-A, GLYCEROL, ... | Authors: | Mandal, K, Uppalapati, M, Ault-Riche, D, Kenney, J, Lowitz, J, Sidhu, S, Kent, S.B.H. | Deposit date: | 2012-08-14 | Release date: | 2012-09-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Chemical synthesis and X-ray structure of a heterochiral {D-protein antagonist plus vascular endothelial growth factor} protein complex by racemic crystallography. Proc.Natl.Acad.Sci.USA, 109, 2012
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6Q8K
| CLK1 with bound pyridoquinazoline | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein kinase CLK1, ~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine | Authors: | Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Joesselin, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-14 | Release date: | 2019-02-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis. Eur J Med Chem, 166, 2019
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2QDH
| Fructose-1,6-bisphosphate aldolase from Leishmania mexicana in complex with mannitol-1,6-bisphosphate, a competitive inhibitor | Descriptor: | D-MANNITOL-1,6-DIPHOSPHATE, Fructose-1,6-bisphosphate aldolase | Authors: | Lafrance-Vanasse, J, Sygusch, J. | Deposit date: | 2007-06-20 | Release date: | 2007-08-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Carboxy-Terminus Recruitment Induced by Substrate Binding in Eukaryotic Fructose Bis-phosphate Aldolases Biochemistry, 46, 2007
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3QI3
| Crystal structure of PDE9A(Q453E) in complex with inhibitor BAY73-6691 | Descriptor: | 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Hou, J, Xu, J, Liu, M, Zhao, R, Lou, H, Ke, H. | Deposit date: | 2011-01-26 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural asymmetry of phosphodiesterase-9, potential protonation of a glutamic Acid, and role of the invariant glutamine. Plos One, 6, 2011
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6Q8X
| Respiratory complex I from Thermus thermophilus with bound Pyridaben. | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | Authors: | Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A. | Deposit date: | 2018-12-16 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.508 Å) | Cite: | Key role of quinone in the mechanism of respiratory complex I. Nat Commun, 11, 2020
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4AUY
| Structure of the FimH lectin domain in the trigonal space group, in complex with an hydroxyl propynyl phenyl alpha-D-mannoside at 2.1 A resolution | Descriptor: | 4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-D-mannopyranoside, FIMH, NICKEL (II) ION, ... | Authors: | Wellens, A, Lahmann, M, Touaibia, M, Vaucher, J, Oscarson, S, Roy, R, Remaut, H, Bouckaert, J. | Deposit date: | 2012-05-22 | Release date: | 2012-06-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | The Tyrosine Gate as a Potential Entropic Lever in the Receptor-Binding Site of the Bacterial Adhesin Fimh. Biochemistry, 51, 2012
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6Q7L
| Spiral structure of E. coli RavA in the RavA-LdcI cage-like complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATPase RavA, Inducible lysine decarboxylase, ... | Authors: | Arragain, B, Felix, J, Malet, H, Gutsche, I, Jessop, M. | Deposit date: | 2018-12-13 | Release date: | 2020-02-12 | Last modified: | 2020-02-19 | Method: | ELECTRON MICROSCOPY (7.6 Å) | Cite: | Structural insights into ATP hydrolysis by the MoxR ATPase RavA and the LdcI-RavA cage-like complex. Commun Biol, 3, 2020
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6QBC
| structure of anti-Mcl1 Fab | Descriptor: | Anti-Mcl1 Fab Heavy Chain, Anti-Mcl1 Fab Light Chain | Authors: | Luptak, J. | Deposit date: | 2018-12-20 | Release date: | 2019-11-06 | Last modified: | 2019-11-13 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1. Acta Crystallogr D Struct Biol, 75, 2019
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6G8G
| Flavonoid-responsive Regulator FrrA in complex with Genistein | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GENISTEIN, TetR/AcrR family transcriptional regulator | Authors: | Werner, N, Hoppen, J, Palm, G, Werten, S, Goettfert, M, Hinrichs, W. | Deposit date: | 2018-04-08 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The induction mechanism of the flavonoid-responsive regulator FrrA. Febs J., 2021
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2Y0C
| BceC mutation Y10S | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ... | Authors: | Rocha, J, Popescu, A.O, Borges, P, Mil-Homens, D, Sa-Correia, I, Fialho, A.M, Frazao, C. | Deposit date: | 2010-12-02 | Release date: | 2011-07-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of Burkholderia Cepacia Udp-Glucose Dehydrogenase (Ugd) Bcec and Role of Tyr10 in Final Hydrolysis of Ugd Thioester Intermediate. J.Bacteriol., 193, 2011
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2QGZ
| Crystal structure of a putative primosome component from Streptococcus pyogenes serotype M3. Northeast Structural Genomics target DR58 | Descriptor: | PHOSPHATE ION, Putative primosome component | Authors: | Seetharaman, J, Chen, Y, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xia, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-06-29 | Release date: | 2007-07-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of a putative primosome component from Streptococcus pyogenes serotype M3. To be Published
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4AUA
| Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6) | Descriptor: | 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone, CYCLIN-DEPENDENT KINASE 6 | Authors: | Cho, Y.S, Angove, H, Brain, C, Chen, C.H.T, Cheng, R, Chopra, R, Chung, K, Congreve, M, Dagostin, C, Davis, D, Feltell, R, Giraldes, J, Hiscock, S, Kim, S, Kovats, S, Lagu, B, Lewry, K, Loo, A, Lu, Y, Luzzio, M, Maniara, W, Mcmenamin, R, Mortenson, P, Benning, R, O'Reilly, M, Rees, D, Shen, J, Smith, T, Wang, Y, Williams, G, Woolford, A, Wrona, W, Xu, M, Yang, F, Howard, S. | Deposit date: | 2012-05-15 | Release date: | 2013-02-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors. ACS Med Chem Lett, 3, 2012
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4GIC
| Crystal Structure Of a Putative Histidinol dehydrogenase (Target PSI-014034) from Methylococcus capsulatus | Descriptor: | Histidinol dehydrogenase, SULFATE ION | Authors: | Kumar, P.R, Ahmed, M, Banu, N, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Gizzi, A, Glen, S, Hammonds, J, Hillerich, B, Love, J.D, Seidel, R, Stead, M, Toro, R, Washington, E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-08-08 | Release date: | 2012-08-22 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Crystal structure of a putative Histidinol dehydrogenase from Methylococcus capsulatus to be published
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4GIS
| crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, glycerol and dicarboxylates bound (mixed loops, space group I4122) | Descriptor: | CHLORIDE ION, Enolase, GLYCEROL, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-08-08 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, glycerol and dicarboxylates bound (mixed loops, space group I4122) To be Published
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6LSA
| Complex structure of bovine herpesvirus 1 glycoprotein D and bovine nectin-1 IgV | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein D, ... | Authors: | Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W. | Deposit date: | 2020-01-17 | Release date: | 2020-06-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.204 Å) | Cite: | Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor. Sci Adv, 6, 2020
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2QN2
| Glycogen Phosphorylase b in complex with Maslinic Acid | Descriptor: | Glycogen phosphorylase, muscle form, maslinic acid | Authors: | Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G. | Deposit date: | 2007-07-17 | Release date: | 2008-06-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies J.Med.Chem., 51, 2008
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7XKA
| Structure of human beta2 adrenergic receptor bound to constrained epinephrine | Descriptor: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | Authors: | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | Deposit date: | 2022-04-19 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics. Nat Commun, 14, 2023
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6FLU
| Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside | Descriptor: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{S})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, CHLORIDE ION, Photorhabdus asymbitoca lectin PHL, ... | Authors: | Houser, J, Jancarikova, G, Wimmerova, M. | Deposit date: | 2018-01-28 | Release date: | 2019-02-06 | Last modified: | 2019-10-30 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica. Sci Rep, 9, 2019
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4G2U
| Crystal Structure Analysis of Ostertagia ostertagi ASP-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Ancylostoma-secreted protein-like protein, SULFATE ION | Authors: | Weeks, S.D, Borloo, J, Geldhof, P, Vercruysse, J, Strelkov, S.V. | Deposit date: | 2012-07-13 | Release date: | 2013-03-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of Ostertagia ostertagi ASP-1: insights into disulfide-mediated cyclization and dimerization Acta Crystallogr.,Sect.D, 69, 2013
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6GB0
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4KAN
| Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 2-(2,5-dimethyl-1,3-thiazol-4-yl)acetic acid | Descriptor: | (2,5-dimethyl-1,3-thiazol-4-yl)acetic acid, ADENOSINE, POTASSIUM ION, ... | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-04-22 | Release date: | 2013-05-22 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 2-(2,5-dimethyl-1,3-thiazol-4-yl)acetic acid To be Published
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6GBC
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