3FL3
 
 | | X-ray structure of the ligand free non covalent swapped form of the A19P/Q28L/K31C/S32C mutant of bovine pancreatic ribonuclease | | Descriptor: | Ribonuclease pancreatic, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | | Authors: | Merlino, A, Russo Krauss, I, Perillo, M, Mattia, C.A, Ercole, C, Picone, D, Vergara, A, Sica, F. | | Deposit date: | 2008-12-18 | | Release date: | 2009-03-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Toward an antitumor form of bovine pancreatic ribonuclease: The crystal structure of three noncovalent dimeric mutants
Biopolymers, 91, 2009
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1T2F
 | | Human B lactate dehydrogenase complexed with NAD+ and 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid | | Descriptor: | 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID, L-lactate dehydrogenase B chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | | Deposit date: | 2004-04-21 | | Release date: | 2004-05-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
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7QE4
 | | B-trefoil lectin from Salpingoeca rosetta in complex with GalNAc | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, CHLORIDE ION, ... | | Authors: | Notova, S, Varrot, A. | | Deposit date: | 2021-12-01 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The choanoflagellate pore-forming lectin SaroL-1 punches holes in cancer cells by targeting the tumor-related glycosphingolipid Gb3.
Commun Biol, 5, 2022
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5N30
 | | Crystal structure of the V72I mutant of the mouse alpha-Dystroglycan N-terminal region | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dystroglycan | | Authors: | Cassetta, A, Covaceuszach, S, Brancaccio, A, Sciandra, F, Bozzi, M, Bigotti, M.G, Konarev, P.V. | | Deposit date: | 2017-02-08 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The effect of the pathological V72I, D109N and T190M missense mutations on the molecular structure of alpha-dystroglycan.
PLoS ONE, 12, 2017
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1T9K
 | | X-ray crystal structure of aIF-2B alpha subunit-related translation initiation factor [Thermotoga maritima] | | Descriptor: | CHLORIDE ION, Probable methylthioribose-1-phosphate isomerase, SULFATE ION | | Authors: | Osipiuk, J, Skarina, T, Savchenko, A, Edwards, A, Cymborowski, M, Minor, W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-05-17 | | Release date: | 2004-06-08 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | X-ray crystal structure of aIF-2B translation initiation factor from Thermotoga maritima
To be Published
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2OC1
 | | Structure of the HCV NS3/4A Protease Inhibitor CVS4819 | | Descriptor: | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI C ACID, Hepatitis C virus, ZINC ION | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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5WHM
 | | Crystal Structure of IclR Family Transcriptional Regulator from Brucella abortus | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CALCIUM ION, ... | | Authors: | Kim, Y, Wu, R, Tesar, C, Endres, M, Babnigg, G, Crosson, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-07-17 | | Release date: | 2017-08-23 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Molecular control of gene expression byBrucellaBaaR, an IclR-type transcriptional repressor.
J. Biol. Chem., 293, 2018
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6BND
 | | Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, Thr315Ala mutant mono-zinc and phosphoethanolamine complex | | Descriptor: | PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, POLYETHYLENE GLYCOL (N=34), Phosphoethanolamine transferase, ... | | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-11-16 | | Release date: | 2018-01-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Substrate Recognition by a Colistin Resistance Enzyme from Moraxella catarrhalis.
ACS Chem. Biol., 13, 2018
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3K35
 | | Crystal Structure of Human SIRT6 | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent deacetylase sirtuin-6, SULFATE ION, ... | | Authors: | Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Bochkarev, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-10-01 | | Release date: | 2009-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and biochemical functions of SIRT6.
J.Biol.Chem., 286, 2011
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5N5V
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3S95
 | | Crystal structure of the human LIMK1 kinase domain in complex with staurosporine | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Beltrami, A, Chaikuad, A, Daga, N, Elkins, J.M, Mahajan, P, Savitsky, P, Vollmar, M, Krojer, T, Muniz, J.R.C, Fedorov, O, Allerston, C.K, Yue, W.W, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-05-31 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of the human LIMK1 kinase domain in complex with staurosporine
To be Published
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2WTB
 | | Arabidopsis thaliana multifuctional protein, MFP2 | | Descriptor: | FATTY ACID MULTIFUNCTIONAL PROTEIN (ATMFP2) | | Authors: | Arent, S, Pye, V.E, Christensen, C.E, Norgaard, A, Henriksen, A. | | Deposit date: | 2009-09-15 | | Release date: | 2010-05-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Multi-Functional Protein in Peroxisomal Beta-Oxidation. Structure and Substrate Specificity of the Arabidopsis Thaliana Protein, Mfp2
J.Biol.Chem., 285, 2010
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5NEY
 | | Discovery, crystal structures and atomic force microscopy study of thioether ligated D,L-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, CYS-TRD-TRP-LYD-LYS-LYD-LYS-LYD-TRP-TRD-CYS-ALA, ... | | Authors: | Reymond, J.-L, Darbre, T, Stocker, A, Hong, W, van Delden, C, Koehler, T, Luscher, A, Visini, R, Fu, Y, Di Bonaventura, I, He, R. | | Deposit date: | 2017-03-13 | | Release date: | 2017-09-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Design, crystal structure and atomic force microscopy study of thioether ligated d,l-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa.
Chem Sci, 8, 2017
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1NQP
 | | Crystal structure of Human hemoglobin E at 1.73 A resolution | | Descriptor: | CYANIDE ION, Hemoglobin alpha chain, Hemoglobin beta chain, ... | | Authors: | Dasgupta, J, Sen, U, Choudhury, D, Dutta, P, Basu, S, Chakrabarti, A, Chakrabarty, A, Dattagupta, J.K. | | Deposit date: | 2003-01-22 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystallization and preliminary X-ray structural Studies of Hemoglobin A2 and Hemoglobin E, isolated from the blood samples of Beta-thalassemic patients
Biochem.Biophys.Res.Commun., 303, 2004
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6BNE
 | | Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, phosphate-bound complex | | Descriptor: | ACETATE ION, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Di Leo, R, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-11-16 | | Release date: | 2018-01-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Substrate recognition by a colistin resistance enzyme from Moraxella catarrhalis.
ACS Chem. Biol., 2018
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2OBO
 | | Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776 | | Descriptor: | BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-19 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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1FJ5
 | | TAMOXIFEN-DNA ADDUCT | | Descriptor: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM, DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3') | | Authors: | Shimotakahara, S, Gorin, A, Kolbanovskiy, A, Kettani, A, Hingerty, B.E, Amin, S, Broyde, S, Geacintov, N, Patel, D.J. | | Deposit date: | 2000-08-07 | | Release date: | 2000-09-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Accomodation of S-cis-tamoxifen-N(2)-guanine adduct within a bent and widened DNA minor groove.
J.Mol.Biol., 302, 2000
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2ZO7
 | | Crystal Structure of a Kusabira-Cyan Mutant (KCY-R1), a Cyan/Green-Emitting GFP-Like Protein | | Descriptor: | CYAN/GREEN-EMITTING GFP-LIKE PROTEIN, KUSABIRA-CYAN MUTANT (KCY-R1) | | Authors: | Kikuchi, A, Fukumura, E, Karasawa, S, Miyawaki, A, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2008-05-06 | | Release date: | 2009-05-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structure of a new cyan fluorescent protein and its hue-shifted variants
Biochemistry, 48, 2009
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7Q7A
 | | Room temperature structure of RNase A at 120 MPa helium gas pressure in a sapphire capillary | | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | | Authors: | Lieske, J, Guenther, S, Saouane, S, Meents, A. | | Deposit date: | 2021-11-09 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Fixed-target high-pressure macromolecular crystallography
To Be Published
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7Q7C
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1FSI
 | | CRYSTAL STRUCTURE OF CYCLIC NUCLEOTIDE PHOSPHODIESTERASE OF APPR>P FROM ARABIDOPSIS THALIANA | | Descriptor: | CYCLIC PHOSPHODIESTERASE, SULFATE ION | | Authors: | Hofmann, A, Zdanov, A, Genschik, P, Filipowicz, W, Ruvinov, S, Wlodawer, A. | | Deposit date: | 2000-09-10 | | Release date: | 2000-11-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and mechanism of activity of the cyclic phosphodiesterase of Appr>p, a product of the tRNA splicing reaction.
EMBO J., 19, 2000
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3ZOP
 | | Arg90Cit chorismate mutase of Bacillus subtilis at 1.6 A resolution | | Descriptor: | CHORISMATE MUTASE AROH | | Authors: | Burschowsky, D, vanEerde, A, Okvist, M, Kienhofer, A, Kast, P, Hilvert, D, Krengel, U. | | Deposit date: | 2013-02-22 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3ZP4
 | | Arg90Cit chorismate mutase of Bacillus subtilis in complex with a transition state analog | | Descriptor: | 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, CHORISMATE MUTASE AROH | | Authors: | Burschowsky, D, vanEerde, A, Okvist, M, Kienhofer, A, Kast, P, Hilvert, D, Krengel, U. | | Deposit date: | 2013-02-26 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3ZP7
 | | Arg90Cit chorismate mutase of Bacillus subtilis in complex with chorismate and prephenate | | Descriptor: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, CHORISMATE MUTASE AROH, PREPHENIC ACID | | Authors: | Burschowsky, D, vanEerde, A, Okvist, M, Kienhofer, A, Kast, P, Hilvert, D, Krengel, U. | | Deposit date: | 2013-02-26 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5M2A
 | | Structure of a bacterial light-regulated adenylyl cylcase | | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | | Deposit date: | 2016-10-12 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
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