1JK9
 
 | | Heterodimer between H48F-ySOD1 and yCCS | | Descriptor: | SULFATE ION, ZINC ION, copper chaperone for superoxide dismutase, ... | | Authors: | Lamb, A.L, Torres, A.S, O'Halloran, T.V, Rosenzweig, A.C. | | Deposit date: | 2001-07-11 | | Release date: | 2001-09-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Heterodimeric structure of superoxide dismutase in complex with its metallochaperone.
Nat.Struct.Biol., 8, 2001
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1JTQ
 | | E. coli TS Complex with dUMP and the Pyrrolo(2,3-d)pyrimidine-based Antifolate LY341770 | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-(2H-TETRAZOL-5-YL)-BUTYRIC ACID, THYMIDYLATE SYNTHASE | | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | | Deposit date: | 2001-08-21 | | Release date: | 2001-09-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
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4IHM
 | | G215S, A251G, T257A, D260G, T262D mutant of carboxypeptidase T from Thermoactinomyces vulgaris | | Descriptor: | CALCIUM ION, Carboxypeptidase T, GLYCEROL, ... | | Authors: | Timofeev, V.I, Kuznetsov, S.A, Akparov, V.K, Kuranova, I.P. | | Deposit date: | 2012-12-19 | | Release date: | 2013-12-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | G215S, A251G, T257A, D260G, T262D mutant of carboxypeptidase T from Thermoactinomyces vulgaris
To be published
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4UXR
 | | Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-24 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins.
Elife, 3, 2014
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4UY0
 | | Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-24 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins.
Elife, 3, 2014
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1JXD
 | | SOLUTION STRUCTURE OF REDUCED CU(I) PLASTOCYANIN FROM SYNECHOCYSTIS PCC6803 | | Descriptor: | COPPER (II) ION, PLASTOCYANIN | | Authors: | Bertini, I, Bryant, D.A, Ciurli, S, Dikiy, A, Fernandez, C.O, Luchinat, C, Safarov, N, Vila, A.J, Zhao, J. | | Deposit date: | 2001-09-07 | | Release date: | 2001-09-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Backbone dynamics of plastocyanin in both oxidation states. Solution structure of the reduced form and comparison with the oxidized state.
J.Biol.Chem., 276, 2001
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4IB9
 | | Bovine beta-lactoglobulin (isoform B) in complex with dodecyltrimethylammonium (DTAC) | | Descriptor: | DODECANE-TRIMETHYLAMINE, GLYCEROL, beta-lactoglobulin | | Authors: | Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K. | | Deposit date: | 2012-12-08 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography
J.Mol.Recognit., 26, 2013
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1JLR
 | | STRUCTURE OF THE URACIL PHOSPHORIBOSYLTRANSFERASE GTP COMPLEX 2 MUTANT C128V | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, Uracil Phosphoribosyltransferase | | Authors: | Schumacher, M.A, Bashor, C.J, Otsu, K, Zu, S, Parry, R, Ulmman, B, Brennan, R.G. | | Deposit date: | 2001-07-16 | | Release date: | 2002-01-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The structural mechanism of GTP stabilized oligomerization and catalytic activation of the Toxoplasma gondii uracil phosphoribosyltransferase.
Proc.Natl.Acad.Sci.USA, 99, 2002
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6PCI
 | | EBOV GPdMuc (Makona) in complex with rEBOV-520 and rEBOV-548 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Virion spike glycoprotein, Virion spike glycoprotein,Virion spike glycoprotein,Ebola Virus (Makona) GP2, ... | | Authors: | Ward, A.B, Murin, C.D, Alkutkar, T. | | Deposit date: | 2019-06-17 | | Release date: | 2020-03-11 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.12 Å) | | Cite: | Analysis of a Therapeutic Antibody Cocktail Reveals Determinants for Cooperative and Broad Ebolavirus Neutralization.
Immunity, 52, 2020
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1JNE
 | | Crystal structure of imaginal disc growth factor-2 | | Descriptor: | Imaginal disc growth factor-2, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Varela, P.F, Llera, A.S, Mariuzza, R.A, Tormo, J. | | Deposit date: | 2001-07-23 | | Release date: | 2002-05-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of imaginal disc growth factor-2. A member of a new family of growth-promoting glycoproteins from Drosophila melanogaster.
J.Biol.Chem., 277, 2002
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5CX2
 | | Structure of coiled coil domain of Leishmania donovani coronin | | Descriptor: | 1,2-ETHANEDIOL, Coronin, SULFATE ION | | Authors: | Nayak, A.R, Karade, S.S, Srivastava, V.K, Pratap, J.V. | | Deposit date: | 2015-07-28 | | Release date: | 2016-07-27 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structure of Leishmania donovani coronin coiled coil domain reveals an antiparallel 4 helix bundle with inherent asymmetry
J.Struct.Biol., 195, 2016
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7APW
 | | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Voll, A.M, Kolos, J.M, Pomplun, S, Riess, B, Purder, P, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F. | | Deposit date: | 2020-10-20 | | Release date: | 2021-11-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021
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2VR6
 | | Crystal Structure of G85R ALS mutant of Human Cu,Zn Superoxide Dismutase (CuZnSOD) at 1.3 A resolution | | Descriptor: | COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ... | | Authors: | Antonyuk, S, Cao, X, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Selverstone Valentine, J, Hasnain, S.S, Hart, P.J. | | Deposit date: | 2008-03-28 | | Release date: | 2008-04-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of the G85R Variant of Sod1 in Familial Amyotrophic Lateral Sclerosis.
J.Biol.Chem., 283, 2008
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3ZKN
 | | BACE2 FAB INHIBITOR COMPLEX | | Descriptor: | 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 2, DIMETHYL SULFOXIDE, ... | | Authors: | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | | Deposit date: | 2013-01-23 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (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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2VUX
 | | Human ribonucleotide reductase, subunit M2 B | | Descriptor: | FE (III) ION, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE SUBUNIT M2 B | | Authors: | Welin, M, Moche, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Svensson, L, Thorsell, A.G, Tresaugues, L, van Den Berg, S, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-05-31 | | Release date: | 2008-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Human Ribonucleotide Reductase, Subunit M2 B
To be Published
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2VZ0
 | | Pteridine Reductase 1 (PTR1) from Trypanosoma Brucei in complex with NADP and DDD00066641 | | Descriptor: | 6-(4-methylphenyl)quinazoline-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE | | Authors: | Robinson, D.A, Thompson, S, Sienkiewicz, N, Fairlamb, A.H. | | Deposit date: | 2008-07-29 | | Release date: | 2009-09-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Development and Validation of a Cytochrome C Coupled Assay for Pteridine Reductase 1 and Dihydrofolate Reductase.
Anal.Biochem., 396, 2010
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4IBY
 | | Human p53 core domain with hot spot mutation R273H and second-site suppressor mutation S240R | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, ZINC ION | | Authors: | Eldar, A, Rozenberg, H, Diskin-Posner, Y, Shakked, Z. | | Deposit date: | 2012-12-09 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
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5CWV
 | | Crystal structure of Chaetomium thermophilum Nup192 TAIL domain | | Descriptor: | Nucleoporin NUP192 | | Authors: | Stuwe, T, Bley, C.J, Thierbach, K, Petrovic, S, Schilbach, S, Mayo, D.J, Perriches, T, Rundlet, E.J, Jeon, Y.E, Collins, L.N, Lin, D.H, Paduch, M, Koide, A, Lu, V, Fischer, J, Hurt, E, Koide, S, Kossiakoff, A.A, Hoelz, A. | | Deposit date: | 2015-07-28 | | Release date: | 2015-09-16 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (3.155 Å) | | Cite: | Architecture of the fungal nuclear pore inner ring complex.
Science, 350, 2015
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2VO7
 | | Structure of PKA complexed with 4-(4-Chlorobenzyl)-1-(7H-pyrrolo(2,3- d)pyrimidin-4-yl)piperidin-4-ylamine | | Descriptor: | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2015-04-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
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5UOG
 | | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in apo form | | Descriptor: | NADPH-dependent glyoxylate/hydroxypyruvate reductase, SULFATE ION | | Authors: | Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Cooper, D.R, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2017-01-31 | | Release date: | 2017-02-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
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1JT6
 | | Crystal structure of the multidrug binding protein QacR bound to dequalinium | | Descriptor: | DEQUALINIUM, Hypothetical transcriptional regulator IN QACA 5'region, SULFATE ION | | Authors: | Schumacher, M.A, Miller, M.C, Grkovic, S, Brown, M.H, Skurray, R.A, Brennan, R.G. | | Deposit date: | 2001-08-20 | | Release date: | 2001-12-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Structural mechanisms of QacR induction and multidrug recognition.
Science, 294, 2001
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4IGR
 | | Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist ZA302 | | Descriptor: | (4R)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-L-glutamic acid, CHLORIDE ION, Glutamate receptor, ... | | Authors: | Larsen, A.P, Venskutonyte, R, Gajhede, M, Kastrup, J.S, Frydenvang, K. | | Deposit date: | 2012-12-18 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Chemoenzymatic synthesis of new 2,4-syn-functionalized (S)-glutamate analogues and structure-activity relationship studies at ionotropic glutamate receptors and excitatory amino acid transporters.
J.Med.Chem., 56, 2013
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2W49
 | | ISOMETRICALLY CONTRACTING INSECT ASYNCHRONOUS FLIGHT MUSCLE | | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, CALCIUM ION, ... | | Authors: | Wu, S, Liu, J, Reedy, M.C, Tregear, R.T, Winkler, H, Franzini-Armstrong, C, Sasaki, H, Lucaveche, C, Goldman, Y.E, Reedy, M.K, Taylor, K.A. | | Deposit date: | 2008-11-24 | | Release date: | 2010-05-05 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (35 Å) | | Cite: | Electron Tomography of Cryofixed, Isometrically Contracting Insect Flight Muscle Reveals Novel Actin-Myosin Interactions
Plos One, 5, 2010
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4UXO
 | | Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN-3 MOTOR DOMAIN, ... | | Authors: | Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-24 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (6.3 Å) | | Cite: | Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins.
Elife, 3, 2014
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7AY9
 | | Crystal structure of CK2 bound by compound 7 | | Descriptor: | 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | | Authors: | Ferguson, A, Collie, G.W. | | Deposit date: | 2020-11-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Metadynamics simulations of CK2 compound unbinding to understand slow dissociation kinetics.
To Be Published
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