3ZJE
 
 | | A20 OTU domain in reversibly oxidised (SOH) state | | Descriptor: | 1,2-ETHANEDIOL, A20P50, CHLORIDE ION | | Authors: | Kulathu, Y, Garcia, F.J, Mevissen, T.E.T, Busch, M, Arnaudo, N, Carroll, K.S, Barford, D, Komander, D. | | Deposit date: | 2013-01-17 | | Release date: | 2013-03-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Regulation of A20 and Other Otu Deubiquitinases by Reversible Oxidation
Nat.Commun., 4, 2013
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3ZK8
 | | CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA E205Q IN THE METAL-FREE, OPEN STATE | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN | | Authors: | Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A. | | Deposit date: | 2013-01-22 | | Release date: | 2013-11-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
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3ZVD
 | | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 83 | | Descriptor: | 3C PROTEASE, ETHYL (5S,8S,11R)-8-BENZYL-5-(2-TERT-BUTOXY-2-OXOETHYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE | | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | | Deposit date: | 2011-07-24 | | Release date: | 2012-08-08 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
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3FL5
 | | Protein kinase CK2 in complex with the inhibitor Quinalizarin | | Descriptor: | 1,2,5,8-tetrahydroxyanthracene-9,10-dione, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER | | Authors: | Mazzorana, M, Franchin, C, Battistutta, R. | | Deposit date: | 2008-12-18 | | Release date: | 2009-08-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Quinalizarin as a potent, selective and cell-permeable inhibitor of protein kinase CK2
Biochem.J., 421, 2009
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3ZVG
 | | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 98 | | Descriptor: | 3C PROTEASE, N-(tert-butoxycarbonyl)-O-tert-butyl-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | | Deposit date: | 2011-07-24 | | Release date: | 2012-08-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
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3X0E
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3X0G
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4YC4
 | | Crystal structure of phosphatidyl inositol 4-kinase II alpha in complex with nucleotide analog | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase type 2-alpha,Lysozyme,Phosphatidylinositol 4-kinase type 2-alpha, [(1S,3S,4S)-3-(6-amino-9H-purin-9-yl)bicyclo[2.2.1]hept-1-yl]methanol | | Authors: | Klima, M, Boura, E. | | Deposit date: | 2015-02-19 | | Release date: | 2015-07-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | The high-resolution crystal structure of phosphatidylinositol 4-kinase II beta and the crystal structure of phosphatidylinositol 4-kinase II alpha containing a nucleoside analogue provide a structural basis for isoform-specific inhibitor design.
Acta Crystallogr.,Sect.D, 71, 2015
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3ZW5
 | | Crystal structure of the human Glyoxalase domain-containing protein 5 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYOXALASE DOMAIN-CONTAINING PROTEIN 5, ... | | Authors: | Muniz, J.R.C, Kiyani, W, Froese, S, Vollmar, M, von Delft, F, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Yue, W.W. | | Deposit date: | 2011-07-28 | | Release date: | 2011-08-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of the Human Glyoxalase Domain-Containing Protein 5
To be Published
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3ZUU
 | | The structure of OST1 (D160A, S175D) kinase in complex with gold | | Descriptor: | 1,2-ETHANEDIOL, GOLD ION, Serine/threonine-protein kinase SRK2E | | Authors: | Yunta, C, Martinez-Ripoll, M, Albert, A. | | Deposit date: | 2011-07-20 | | Release date: | 2011-10-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The structure of Arabidopsis thaliana OST1 provides insights into the kinase regulation mechanism in response to osmotic stress.
J. Mol. Biol., 414, 2011
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3X2N
 | | Proton relay pathway in inverting cellulase | | Descriptor: | Endoglucanase V-like protein, SULFATE ION | | Authors: | Nakamura, A, Ishida, T, Fushinobu, S, Igarashi, K, Samejima, M. | | Deposit date: | 2014-12-22 | | Release date: | 2015-10-14 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
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3ZGY
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3X43
 | | Crystal structure of O-ureido-L-serine synthase | | Descriptor: | O-ureido-L-serine synthase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Matoba, Y, Uda, N, Oda, K, Sugiyama, M. | | Deposit date: | 2015-03-13 | | Release date: | 2015-07-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The structural and mutational analyses of O-ureido-L-serine synthase necessary for D-cycloserine biosynthesis.
Febs J., 282, 2015
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3FRH
 | | Structure of the 16S rRNA methylase RmtB, P21 | | Descriptor: | 16S rRNA methylase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Schmitt, E, Galimand, M, Panvert, M, Dupechez, M, Courvalin, P, Mechulam, Y. | | Deposit date: | 2009-01-08 | | Release date: | 2009-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural bases for 16 S rRNA methylation catalyzed by ArmA and RmtB methyltransferases
J.Mol.Biol., 388, 2009
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3ZQ9
 | | Structure of a Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44 | | Descriptor: | (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Ariza, A, Eklof, J.M, Spadiut, O, Offen, W.A, Roberts, S.M, Besenmatter, W, Friis, E.P, Skjot, M, Wilson, K.S, Brumer, H, Davies, G. | | Deposit date: | 2011-06-08 | | Release date: | 2011-06-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure and Activity of Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44.
J.Biol.Chem., 286, 2011
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3ZI1
 | | Crystal structure of human glyoxalase domain-containing protein 4 (GLOD4) | | Descriptor: | 1,2-ETHANEDIOL, GLYOXALASE DOMAIN-CONTAINING PROTEIN 4 | | Authors: | Oberholzer, A, Kiyani, W, Shrestha, L, Vollmar, M, Krojer, T, Froese, D.S, Williams, E, von Delft, F, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W.W. | | Deposit date: | 2012-12-30 | | Release date: | 2013-01-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Human Glyoxalase Domain- Containing Protein 4 (Glod4)
To be Published
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3ZS0
 | | Human Myeloperoxidase inactivated by TX2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-FLUOROBENZYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE, ACETATE ION, ... | | Authors: | Tiden, A.K, Sjogren, T, Svensson, M, Bernlind, A, Senthilmohan, R, Auchere, F, Norman, H, Markgren, P.O, Gustavsson, S, Schmidt, S, Lundquist, S, Forbes, L.V, Magon, N.J, Jameson, G.N, Eriksson, H, Kettle, A.J. | | Deposit date: | 2011-06-21 | | Release date: | 2011-08-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 2-Thioxanthines are Mechanism-Based Inactivators of Myeloperoxidase that Block Oxidative Stress During Inflammation.
J.Biol.Chem., 286, 2011
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3FUC
 | | Recombinant calf purine nucleoside phosphorylase in a binary complex with multisubstrate analogue inhibitor 9-(5',5'-difluoro-5'-phosphonopentyl)-9-deazaguanine structure in a new space group with one full trimer in the asymmetric unit | | Descriptor: | AZIDE ION, MAGNESIUM ION, Purine nucleoside phosphorylase, ... | | Authors: | Bochtler, M, Breer, K, Bzowska, A, Chojnowski, G, Hashimoto, M, Hikishima, S, Narczyk, M, Wielgus-Kutrowska, B, Yokomatsu, T. | | Deposit date: | 2009-01-14 | | Release date: | 2009-12-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | 1.45 A resolution crystal structure of recombinant PNP in complex with a pM multisubstrate analogue inhibitor bearing one feature of the postulated transition state.
Biochem.Biophys.Res.Commun., 391, 2010
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3ZS1
 | | Human Myeloperoxidase inactivated by TX5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-METHOXYETHYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE, ACETATE ION, ... | | Authors: | Tiden, A.K, Sjogren, T, Svensson, M, Bernlind, A, Senthilmohan, R, Auchere, F, Norman, H, Markgren, P.O, Gustavsson, S, Schmidt, S, Lundquist, S, Forbes, L.V, Magon, N.J, Jameson, G.N, Eriksson, H, Kettle, A.J. | | Deposit date: | 2011-06-21 | | Release date: | 2011-08-31 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 2-Thioxanthines are Mechanism-Based Inactivators of Myeloperoxidase that Block Oxidative Stress During Inflammation.
J.Biol.Chem., 286, 2011
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3ZO8
 | | Wild-type 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: | 2013-02-20 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.59 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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3ZS2
 | | TyrB25,NMePheB26,LysB28,ProB29-insulin analogue crystal structure | | Descriptor: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | | Authors: | Antolikova, E, Zakova, L, Turkenburg, J.P, Watson, C.J, Hanclova, I, Sanda, M, Cooper, A, Kraus, T, Brzozowski, A.M, Jiracek, J.A. | | Deposit date: | 2011-06-21 | | Release date: | 2011-08-31 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Non-Equivalent Role of Inter- and Intramolecular Hydrogen Bonds in the Insulin Dimer Interface.
J.Biol.Chem., 286, 2011
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3ZUD
 | | THERMOASCUS GH61 ISOZYME A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Otten, H, Quinlan, R.J, Sweeney, M.D, Poulsen, J.-C.N, Johansen, K.S, Krogh, K.B.R.M, Joergensen, C.I, Tovborg, M, Anthonsen, A, Tryfona, T, Walter, C.P, Dupree, P, Xu, F, Davies, G.J, Walton, P.H, Lo Leggio, L. | | Deposit date: | 2011-07-18 | | Release date: | 2011-09-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Insights Into the Oxidative Degradation of Cellulose by a Copper Metalloenzyme that Exploits Biomass Components.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3ZPK
 | | Atomic-resolution structure of a quadruplet cross-beta amyloid fibril. | | Descriptor: | TRANSTHYRETIN | | Authors: | Fitzpatrick, A.W.P, Debelouchina, G.T, Bayro, M.J, Clare, D.K, Caporini, M.A, Bajaj, V.S, Jaroniec, C.P, Wang, L, Ladizhansky, V, Muller, S.A, MacPhee, C.E, Waudby, C.A, Mott, H.R, de Simone, A, Knowles, T.P.J, Saibil, H.R, Vendruscolo, M, Orlova, E.V, Griffin, R.G, Dobson, C.M. | | Deposit date: | 2013-02-28 | | Release date: | 2013-12-04 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY, SOLID-STATE NMR | | Cite: | Atomic Structure and Hierarchical Assembly of a Cross-Beta Amyloid Fibril.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3ZK9
 | | CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA D280N IN THE METAL-FREE, OPEN STATE | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN | | Authors: | Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A. | | Deposit date: | 2013-01-22 | | Release date: | 2013-11-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
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3HKP
 | | Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with protocatechuate | | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 3,4-DIHYDROXYBENZOIC ACID, Catechol 1,2-dioxygenase, ... | | Authors: | Matera, I, Ferraroni, M, Kolomytseva, M, Briganti, F, Scozzafava, A. | | Deposit date: | 2009-05-25 | | Release date: | 2010-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts.
J.Struct.Biol., 170, 2010
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