5SLG
 
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32400357 | | Descriptor: | 1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | | Authors: | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | | Deposit date: | 2022-03-03 | | Release date: | 2022-03-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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4GQL
 | | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470.1 | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ... | | Authors: | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | | Deposit date: | 2012-08-23 | | Release date: | 2013-02-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
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1MQQ
 | | THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE FROM BACILLUS STEAROTHERMOPHILUS T-1 COMPLEXED WITH GLUCURONIC ACID | | Descriptor: | ALPHA-D-GLUCURONIDASE, GLYCEROL, alpha-D-glucopyranuronic acid | | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | | Deposit date: | 2002-09-17 | | Release date: | 2003-09-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structures of Geobacillus stearothermophilus alpha-glucuronidase complexed with its substrate and products: mechanistic implications.
J.Biol.Chem., 279, 2004
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2UYA
 | | DEL162-163 mutant of Bacillus subtilis Oxalate Decarboxylase OxdC | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Just, V.J, Burrell, M.R, Bowater, L, McRobbie, I, Stevenson, C.E.M, Lawson, D.M, Bornemann, S. | | Deposit date: | 2007-04-03 | | Release date: | 2007-08-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Identity of the Active Site of Oxalate Decarboxylase and the Importance of the Stability of Active-Site Lid Conformations.
Biochem.J., 407, 2007
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2R4I
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4Q9S
 | | Crystal Structure of human Focal Adhesion Kinase (Fak) bound to Compound1 (3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE) | | Descriptor: | 3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Focal adhesion kinase 1 | | Authors: | Argiriadi, M.A, George, D.M. | | Deposit date: | 2014-05-01 | | Release date: | 2014-07-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit.
J.Med.Chem., 58, 2015
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2VBK
 | | NATIVE TAILSPIKE PROTEIN OF BACTERIOPHAGE SF6 | | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, GLYCEROL, ... | | Authors: | Mueller, J.J, Barbirz, S, Heinle, K, Freiberg, A, Seckler, R, Heinemann, U. | | Deposit date: | 2007-09-14 | | Release date: | 2008-04-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | An intersubunit active site between supercoiled parallel beta helices in the trimeric tailspike endorhamnosidase of Shigella flexneri Phage Sf6.
Structure, 16, 2008
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3M6Y
 | | Structure of 4-hydroxy-2-oxoglutarate aldolase from bacillus cereus at 1.45 a resolution. | | Descriptor: | 4-Hydroxy-2-oxoglutarate aldolase, CALCIUM ION, CHLORIDE ION | | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, F.W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-03-16 | | Release date: | 2010-04-07 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of 4-Hydroxy-2-Oxoglutarate Aldolase from Bacillus Cereus at 1.45 A Resolution.
To be Published
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2UYB
 | | S161A mutant of Bacillus subtilis Oxalate Decarboxylase OxdC | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, MANGANESE (II) ION, ... | | Authors: | Just, V.J, Burrell, M.R, Bowater, L, McRobbie, I, Stevenson, C.E.M, Lawson, D.M, Bornemann, S. | | Deposit date: | 2007-04-03 | | Release date: | 2007-08-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Identity of the Active Site of Oxalate Decarboxylase and the Importance of the Stability of Active-Site Lid Conformations.
Biochem.J., 407, 2007
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8Y5L
 | | E.coli transcription translation coupling complex in TTC-B state 1 (subclass1) containing mRNA with 30-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Zhang, J, Lu, G, Wang, C, Lin, J. | | Deposit date: | 2024-01-31 | | Release date: | 2025-08-13 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | E.coli transcription translation coupling complex in TTC-B state 1 (subclass1) containing mRNA with 30-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin
To be published
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1JI2
 | | Improved X-ray Structure of Thermoactinomyces vulgaris R-47 alpha-Amylase 2 | | Descriptor: | ALPHA-AMYLASE II, CALCIUM ION | | Authors: | Kamitori, S, Abe, A, Ohtaki, A, Kaji, A, Tonozuka, T, Sakano, Y. | | Deposit date: | 2001-06-28 | | Release date: | 2002-06-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures and structural comparison of Thermoactinomyces vulgaris R-47 alpha-amylase 1 (TVAI) at 1.6 A resolution and alpha-amylase 2 (TVAII) at 2.3 A resolution.
J.Mol.Biol., 318, 2002
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8Y5R
 | | E.coli Transcription translation coupling complex in TTC-B state 5 (subclass 1) containing mRNA with 27-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and fusidic acid | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Zhang, J, Lu, G, Wang, C, Lin, J. | | Deposit date: | 2024-01-31 | | Release date: | 2025-08-13 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | E.coli Transcription translation coupling complex in TTC-B state 5 (subclass 1) containing mRNA with 27-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and fusidic acid
To be published
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8Y5P
 | | E.coli transcription translation coupling complex in TTC-B state 4 (subclass 1) containing mRNA with 24-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Zhang, J, Lu, G, Wang, C, Lin, J. | | Deposit date: | 2024-01-31 | | Release date: | 2025-08-13 | | Method: | ELECTRON MICROSCOPY (6.5 Å) | | Cite: | E.coli transcription translation coupling complex in TTC-B state 4 (subclass 1) containing mRNA with 24-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin
To be published
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1RQJ
 | | Active Conformation of Farnesyl Pyrophosphate Synthase Bound to Isopentyl Pyrophosphate and Risedronate | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranyltranstransferase, ... | | Authors: | Hosfield, D.J, Zhang, Y, Dougan, D.R, Brooun, A, Tari, L.W, Swanson, R.V, Finn, J. | | Deposit date: | 2003-12-05 | | Release date: | 2004-03-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis
J.Biol.Chem., 279, 2004
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8YDI
 | | E.coli transcription translation coupling complex in TTC-P state 1 (subclass 2) containing mRNA with 39-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Zhang, J, Lu, G, Wang, C, Lin, J. | | Deposit date: | 2024-02-20 | | Release date: | 2025-08-27 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | E.coli transcription translation coupling complex in TTC-P state 1 (subclass 2) containing mRNA with 39-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin
To be published
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3SNI
 | | Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors | | Descriptor: | 2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Malamas, M.S, Ni, Y, Erdei, J, Stange, H, Schindler, R, Lankau, H.-J, Grunwald, C, Fan, K.Y, Parris, K.D, Langen, B, Egerland, U, Hage, T, Marquis, K.L, Grauer, S, Brennan, J, Navarra, R, Graf, R, Harrison, B.L, Robichaud, A, Kronbach, T, Pangalos, M, Hofgen, N, Brandon, N.J. | | Deposit date: | 2011-06-29 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors.
J.Med.Chem., 54, 2011
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4NR6
 | | Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand | | Descriptor: | 1-[7-(3,4-dimethoxyphenyl)-9-{[(3R)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one, CREB-binding protein | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Chaikuad, A, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-11-26 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand
To be Published
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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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2UZS
 | | A transforming mutation in the pleckstrin homology domain of AKT1 in cancer (AKT1-PH_E17K) | | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-alpha serine/threonine-protein kinase | | Authors: | Carpten, J.D, Faber, A.L, Horn, C, Donoho, G.P, Briggs, S.L, Robbins, C.M, Hostetter, G, Boguslawski, S, Moses, T.Y, Savage, S, Uhlik, M, Lin, A, Du, J, Qian, Y.W, Zeckner, D.J, Tucker-Kellogg, G, Touchman, J, Patel, K, Mousses, S, Bittner, M, Schevitz, R, Lai, M.H, Blanchard, K.L, Thomas, J.E. | | Deposit date: | 2007-05-01 | | Release date: | 2007-07-17 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | A transforming mutation in the pleckstrin homology domain of AKT1 in cancer.
Nature, 448, 2007
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1JQW
 | | THE 2.3 ANGSTROM RESOLUTION STRUCTURE OF BACILLUS SUBTILIS LUXS/HOMOCYSTEINE COMPLEX | | Descriptor: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Autoinducer-2 production protein luxS, ZINC ION | | Authors: | Ruzheinikov, S.N, Das, S.K, Sedelnikova, S.E, Hartley, A, Foster, S.J, Horsburgh, M.J, Cox, A.G, McCleod, C.W, Mekhalfia, A, Blackburn, G.M, Rice, D.W, Baker, P.J. | | Deposit date: | 2001-08-09 | | Release date: | 2001-10-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The 1.2 A structure of a novel quorum-sensing protein, Bacillus subtilis LuxS
J.Mol.Biol., 313, 2001
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8YDH
 | | E.coli transcription translation coupling complex in TTC-P state 1 (subclass1) containing mRNA with 39-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Zhang, J, Lu, G, Wang, C, Lin, J. | | Deposit date: | 2024-02-20 | | Release date: | 2025-08-27 | | Method: | ELECTRON MICROSCOPY (4.55 Å) | | Cite: | E.coli transcription translation coupling complex in TTC-P state 1 (subclass1) containing mRNA with 39-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin
To be published
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8YDF
 | | E.coli transcription translation coupling complex in TTC-B state 1 (subclass 2) containing mRNA with 39-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Zhang, J, Lu, G, Wang, C, Lin, J. | | Deposit date: | 2024-02-20 | | Release date: | 2025-08-27 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | E.coli transcription translation coupling complex in TTC-B state 1 (subclass 2) containing mRNA with 39-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin
To be published
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4HPJ
 | | Crystal structure of Tryptophan Synthase at 1.45 A resolution in complex with 2-aminophenol quinonoid in the beta site and the F9 inhibitor in the alpha site | | Descriptor: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ... | | Authors: | Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2012-10-23 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
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8YDE
 | | E.coli transcription translation coupling complex in TTC-B state 1 (subclass 3) containing mRNA with 39-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Zhang, J, Lu, G, Wang, C, Lin, J. | | Deposit date: | 2024-02-20 | | Release date: | 2025-08-27 | | Method: | ELECTRON MICROSCOPY (5 Å) | | Cite: | E.coli transcription translation coupling complex in TTC-B state 1 (subclass 3) containing mRNA with 39-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin
To be published
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2C54
 | | gdp-mannose-3', 5' -epimerase (arabidopsis thaliana),k178r, with gdp-beta-l-gulose and gdp-4-keto-beta-l-gulose bound in active site. | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FORMIC ACID, GDP-MANNOSE-3', ... | | Authors: | Major, L.L, Wolucka, B.A, Naismith, J.H. | | Deposit date: | 2005-10-25 | | Release date: | 2005-11-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure and function of GDP-mannose-3',5'-epimerase: an enzyme which performs three chemical reactions at the same active site.
J. Am. Chem. Soc., 127, 2005
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