4QBB
 
 | | Structure of the foot-and-mouth disease virus leader proteinase in complex with inhibitor (N~2~-[(3S)-4-({(2R)-1-[(4-CARBAMIMIDAMIDOBUTYL)AMINO]-4-METHYL-1-OXOPENTAN-2-YL}AMINO)-3-HYDROXY-4-OXOBUTANOYL]-L-ARGINYL-L-PROLINAMIDE) | | Descriptor: | Leader protease, N~2~-[(3S)-4-({(2R)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamide, PHOSPHATE ION, ... | | Authors: | Grishkovskaya, I, Steinberger, J, Cencic, R, Juliano, M.A, Juliano, L, Skern, T. | | Deposit date: | 2014-05-07 | | Release date: | 2014-11-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Foot-and-mouth disease virus leader proteinase: Structural insights into the mechanism of intermolecular cleavage.
Virology, 468-470C, 2014
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6MRC
 | | ADP-bound human mitochondrial Hsp60-Hsp10 football complex | | Descriptor: | 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ... | | Authors: | Gomez-Llorente, Y, Jebara, F, Patra, M, Malik, R, Nissemblat, S, Azem, A, Hirsch, J.A, Ubarretxena-Belandia, I. | | Deposit date: | 2018-10-12 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Structural basis for active single and double ring complexes in human mitochondrial Hsp60-Hsp10 chaperonin.
Nat Commun, 11, 2020
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4LLT
 | | Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with two IPP and calcium bound in active site | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, Geranyltranstransferase | | Authors: | Kim, J, 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, Stead, M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-07-09 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with two IPP and calcium bound in active site
To be Published
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4EVZ
 | | Structure of HisF-LUCA | | Descriptor: | HYDROGENPHOSPHATE ION, HisF-LUCA | | Authors: | Reisinger, B, Sperl, J, Rajendran, C, Merkl, R, Sterner, R. | | Deposit date: | 2012-04-26 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.462 Å) | | Cite: | Evidence for the existence of elaborate enzyme complexes in the Paleoarchean era.
J.Am.Chem.Soc., 136, 2014
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4E69
 | | Crystal structure of a sugar kinase (target EFI-502132) from Oceanicola granulosus, unliganded structure | | Descriptor: | 1,2-ETHANEDIOL, 2-dehydro-3-deoxygluconokinase, CHLORIDE ION, ... | | 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: | 2012-03-15 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of a sugar kinase (target EFI-502132) from Oceanicola granulosus, unliganded structure
To be Published
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4EEK
 | | Crystal structure of HAD FAMILY HYDROLASE DR_1622 from Deinococcus radiodurans R1 (TARGET EFI-501256) With bound phosphate and sodium | | Descriptor: | Beta-phosphoglucomutase-related protein, PHOSPHATE ION, SODIUM ION | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-03-28 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of HAD HYDROLASE DR_1622 Deinococcus radiodurans R1 (TARGET EFI-501256)
To be Published
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4LOB
 | | Crystal structure of polyprenyl diphosphate synthase A1S_2732 (Target EFI-509223) from Acinetobacter baumannii | | Descriptor: | CHLORIDE ION, GLYCEROL, Polyprenyl synthetase | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-07-12 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of polyprenyl diphosphate synthase from Acinetobacter baumannii
To be Published
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1SEZ
 | | Crystal Structure of Protoporphyrinogen IX Oxidase | | Descriptor: | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, 4-BROMO-3-(5'-CARBOXY-4'-CHLORO-2'-FLUOROPHENYL)-1-METHYL-5-TRIFLUOROMETHYL-PYRAZOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Koch, M, Breithaupt, C, Kiefersauer, R, Freigang, J, Huber, R, Messerschmidt, A. | | Deposit date: | 2004-02-19 | | Release date: | 2004-04-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of protoporphyrinogen IX oxidase: a key enzyme in haem and chlorophyll biosynthesis.
Embo J., 23, 2004
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6MLP
 | | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) Y14A mutant from Salmonella typhimurium complexed with histidine | | Descriptor: | ACETATE ION, GLYCEROL, HISTIDINE, ... | | Authors: | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | | Deposit date: | 2018-09-27 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.485 Å) | | Cite: | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
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7L7U
 | | BG505 SOSIP reconstructed from a designed nanoparticle, BG505 SOSIP-T33-31 (Component B) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP.v5.2(7S) - gp120, ... | | Authors: | Antanasijevic, A, Froes Rocha, R, Sewall, L.M, Ward, A.B. | | Deposit date: | 2020-12-30 | | Release date: | 2021-08-04 | | Last modified: | 2021-08-25 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
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3R9H
 | | CDK2 in complex with inhibitor RC-2-142 | | Descriptor: | 4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-25 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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4DZI
 | | Crystal structure of amidohydrolase map2389c (target EFI-500390) from Mycobacterium avium subsp. paratuberculosis K-10 | | Descriptor: | CADMIUM ION, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-03-01 | | Release date: | 2012-03-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of amidohydrolase map2389c (target EFI-500390) from Mycobacterium avium
To be Published
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3RPV
 | | CDK2 in complex with inhibitor RC-2-88 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-04-27 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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6MJX
 | | human cGAS catalytic domain bound with cGAMP | | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | | Deposit date: | 2018-09-23 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression.
Nat Commun, 10, 2019
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4L7E
 | | Three dimensional structure of mutant D78A of human HD domain-containing protein 2, Genomics Consortium (NESG) Target HR6723 | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, HD domain-containing protein 2, ... | | Authors: | Kuzin, A, Su, M, Yakunin, A, Beloglazova, N, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Brown, G, Flick, R, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-06-13 | | Release date: | 2013-07-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.229 Å) | | Cite: | Northeast Structural Genomics Consortium Target HR6723
To be Published
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4DYV
 | | Crystal structure of a short-chain dehydrogenase/reductase SDR from Xanthobacter autotrophicus Py2 | | Descriptor: | CHLORIDE ION, Short-chain dehydrogenase/reductase SDR | | Authors: | Agarwal, R, Chamala, S, Evans, B, Foti, R, Hillerich, B, Kar, A, Lafleur, J, Siedel, R, Villigas, G, Zencheck, W, Gizzi, A, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-02-29 | | Release date: | 2012-03-14 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a short-chain dehydrogenase/reductase SDR from Xanthobacter autotrophicus Py2
To be Published
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6MKY
 | | Human SDS22 | | Descriptor: | Protein phosphatase 1 regulatory subunit 7, SULFATE ION | | Authors: | Choy, M.S, Bolik-Coulon, N, Page, R, Peti, W. | | Deposit date: | 2018-09-26 | | Release date: | 2018-12-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The structure of SDS22 provides insights into the mechanism of heterodimer formation with PP1.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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4E1J
 | | Crystal structure of glycerol kinase in complex with glycerol from Sinorhizobium meliloti 1021 | | Descriptor: | CHLORIDE ION, GLYCEROL, Glycerol kinase, ... | | Authors: | Agarwal, R, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Siedel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-03-06 | | Release date: | 2012-03-21 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal structure of glycerol kinase in complex with glycerol from Sinorhizobium meliloti 1021
To be Published
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6MLA
 | | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D161A mutant from Salmonella typhimurium complexed with arginine | | Descriptor: | ACETATE ION, ARGININE, GLYCEROL, ... | | Authors: | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | | Deposit date: | 2018-09-27 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.582 Å) | | Cite: | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
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6MGY
 | | Crystal Structure of the New Deli Metallo Beta Lactamase Variant 5 from Klebsiella pneumoniae | | Descriptor: | GLYCEROL, Metallo-beta-lactamase NDM-5, POTASSIUM ION, ... | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-09-16 | | Release date: | 2018-10-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of the New Deli Metallo Beta Lactamase Variant 5 from Klebsiella pneumoniae
To Be Published
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1UDZ
 | | Isoleucyl-tRNA synthetase editing domain | | Descriptor: | Isoleucyl-tRNA synthetase | | Authors: | Fukunaga, R, Fukai, S, Ishitani, R, Nureki, O, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-05-08 | | Release date: | 2004-03-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of the CP1 domain from Thermus thermophilus isoleucyl-tRNA synthetase and its complex with L-valine.
J.Biol.Chem., 279, 2004
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6MHJ
 | | Structure of BoNT mutant | | Descriptor: | Botulinum neurotoxin type A, PHOSPHATE ION | | Authors: | Lam, K, Jin, R. | | Deposit date: | 2018-09-18 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.019 Å) | | Cite: | A viral-fusion-peptide-like molecular switch drives membrane insertion of botulinum neurotoxin A1.
Nat Commun, 9, 2018
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4J2I
 | | Multiple crystal structures of an all-AT DNA dodecamer stabilized by weak interactions | | Descriptor: | 5'-D(*AP*AP*TP*AP*AP*AP*TP*TP*TP*AP*TP*T)-3' | | Authors: | Acosta-Reyes, F.J, Subirana, J.A, Pous, J, Sanchez, R, Condom, N, Baldini, R, Malinina, L, Campos, J.L. | | Deposit date: | 2013-02-04 | | Release date: | 2014-02-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Polymorphic crystal structures of an all-AT DNA dodecamer.
Biopolymers, 103, 2015
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4DYK
 | | Crystal structure of an adenosine deaminase from pseudomonas aeruginosa pao1 (target nysgrc-200449) with bound zn | | Descriptor: | AMIDOHYDROLASE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, Lafleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Zencheck, W.D, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Raushel, F.M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-02-29 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of an adenosine deaminase from pseudomonas aeruginosa pao1 (target nysgrc-200449) with bound zn
to be published
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6MJU
 | | human cGAS catalytic domain bound with the inhibitor G108 | | Descriptor: | 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | | Deposit date: | 2018-09-22 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression.
Nat Commun, 10, 2019
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