4ODC
 
 | | Crystal structure of Trematomus bernacchii hemoglobin in a partially cyanided state | | Descriptor: | CYANIDE ION, GLYCEROL, Hemoglobin subunit alpha, ... | | Authors: | Mazzarella, L, Merlino, A, Vitagliano, L, Vergara, A. | | Deposit date: | 2014-01-10 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural modifications induced by the switch from an endogenous bis-histidyl to an exogenous cyanomet hexa-coordination in a tetrameric haemoglobin
RSC ADV, 4, 2014
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4OHF
 | | Crystal structure of cytosolic nucleotidase II (LPG0095) in complex with GMP from Legionella pneumophila, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET LGR1 | | Descriptor: | Cytosolic IMP-GMP specific 5'-nucleotidase, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Srinivisan, B, Forouhar, F, Shukla, A, Sampangi, C, Kulkarni, S, Abashidze, M, Seetharaman, J, Lew, S, Mao, L, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.M, Tong, L, Balaram, H, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2014-01-17 | | Release date: | 2014-02-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Allosteric regulation and substrate activation in cytosolic nucleotidase II from Legionella pneumophila.
Febs J., 281, 2014
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5NKW
 | | X-ray crystal structure of an AA9 LPMO | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ... | | Authors: | Tandrup, T, Frandsen, K.E.H, Poulsen, J.-C.N, Lo Leggio, L. | | Deposit date: | 2017-04-03 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Structural and electronic determinants of lytic polysaccharide monooxygenase reactivity on polysaccharide substrates.
Nat Commun, 8, 2017
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6OV8
 | | 2.6 Angstrom Resolution Crystal Structure of Aminopeptidase B from Escherichia coli str. K-12 substr. MG1655 | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Peptidase B, ... | | Authors: | Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Grimshaw, S, Kwon, K, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-05-07 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Comparison of metal-bound and unbound structures of aminopeptidase B proteins from Escherichia coli and Yersinia pestis.
Protein Sci., 29, 2020
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5NPE
 | | Crystal Structure of cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with beta Cyclophellitol Aziridine probe KY358 | | Descriptor: | (1~{R},2~{S},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, OXALATE ION, ... | | Authors: | Wu, L, Davies, G.J. | | Deposit date: | 2017-04-16 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
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6LYS
 | | Structure of the BAM complex | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Xiao, L, Huang, Y. | | Deposit date: | 2020-02-15 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structures of the beta-barrel assembly machine recognizing outer membrane protein substrates.
Faseb J., 35, 2021
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6M3B
 | | hAPC-c25k23 Fab complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Vitamin K-dependent protein C heavy chain, Vitamin K-dependent protein C light chain, ... | | Authors: | Wang, X, Li, L, Zhao, X, Egner, U. | | Deposit date: | 2020-03-03 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Targeted inhibition of activated protein C by a non-active-site inhibitory antibody to treat hemophilia.
Nat Commun, 11, 2020
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4OQM
 | | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with F-ARA-EdU | | Descriptor: | 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase | | Authors: | Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L. | | Deposit date: | 2014-02-10 | | Release date: | 2014-08-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with F-ARA-EdU
To be Published
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3JSC
 | | CcdBVfi-FormI-pH7.0 | | Descriptor: | CcdB, SULFATE ION | | Authors: | De Jonge, N, Buts, L, Loris, R. | | Deposit date: | 2009-09-10 | | Release date: | 2009-12-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and thermodynamic characterization of vibrio fischeri CCDB
J.Biol.Chem., 285, 2010
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5NEC
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5NHF
 | | Human Erk2 with an Erk1/2 inhibitor | | Descriptor: | 2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | Deposit date: | 2017-03-21 | | Release date: | 2017-04-19 | | Last modified: | 2017-05-10 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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5NHJ
 | | Human Erk2 with an Erk1/2 inhibitor | | Descriptor: | 5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | Deposit date: | 2017-03-21 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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5NHP
 | | Human Erk2 with an Erk1/2 inhibitor | | Descriptor: | 5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | Deposit date: | 2017-03-22 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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5NLQ
 | | Auxiliary activity 9 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ... | | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Tandrup, T, Lo Leggio, L. | | Deposit date: | 2017-04-04 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and electronic determinants of lytic polysaccharide monooxygenase reactivity on polysaccharide substrates.
Nat Commun, 8, 2017
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6J3P
 | | Crystal structure of the human GCN5 bromodomain in complex with compound (R,R)-36n | | Descriptor: | 2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2A | | Authors: | Huang, L.Y, Li, H, Niu, L, Wu, C.Y, Yu, Y.M, Li, L.L, Yang, S.Y. | | Deposit date: | 2019-01-05 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
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6J3O
 | | Crystal structure of the human PCAF bromodomain in complex with compound 12 | | Descriptor: | 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2B | | Authors: | Huang, L.Y, Li, H, Li, L.L, Niu, L, Seupel, R, Wu, C.Y, Li, G.B, Yu, Y.M, Brennan, P.E, Yang, S.Y. | | Deposit date: | 2019-01-05 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
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4R4X
 | | Structure of PNGF-II in C2 space group | | Descriptor: | PNGF-II, ZINC ION | | Authors: | Sun, G, Yu, X, Celimuge, Wang, L, Li, M, Gan, J, Qu, D, Ma, J, Chen, L. | | Deposit date: | 2014-08-20 | | Release date: | 2015-01-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification and
Characterization of a Novel Prokaryotic Peptide: N-glycosidase from
Elizabethkingia meningoseptica
J.Biol.Chem., 2015
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6FFK
 | | Human apo-SOD1 bound to PtCl2(1R,2R-1,4-DACH | | Descriptor: | PtCl2(1(R),2(R)-DACH), Superoxide dismutase [Cu-Zn] | | Authors: | Calderone, V, Nativi, C, Cantini, F, Di Cesare Mannelli, L. | | Deposit date: | 2018-01-08 | | Release date: | 2018-11-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Interaction of Half Oxa-/Halfcis-Platin Complex with Human Superoxide Dismutase and Induced Reduction of Neurotoxicity.
ACS Med Chem Lett, 9, 2018
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5NLP
 | | Auxiliary activity 9 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION, ... | | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Tandrup, T, Lo Leggio, L. | | Deposit date: | 2017-04-04 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural and electronic determinants of lytic polysaccharide monooxygenase reactivity on polysaccharide substrates.
Nat Commun, 8, 2017
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5NFY
 | | SARS-CoV nsp10/nsp14 dynamic complex | | Descriptor: | DI(HYDROXYETHYL)ETHER, Polyprotein 1ab, ZINC ION | | Authors: | Ferron, F, Gluais, L, Vonrhein, C, Bricogne, G, Canard, B, Imbert, I. | | Deposit date: | 2017-03-16 | | Release date: | 2018-01-10 | | Last modified: | 2019-02-20 | | Method: | X-RAY DIFFRACTION (3.382 Å) | | Cite: | Structural and molecular basis of mismatch correction and ribavirin excision from coronavirus RNA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1S13
 | | Human Heme Oxygenase Oxidatition of alpha- and gamma-meso-Phenylhemes | | Descriptor: | 2-PHENYLHEME, Heme oxygenase 1 | | Authors: | Wang, J, Niemevz, F, Lad, L, Buldain, G, Poulos, T.L, Ortiz de Montellano, P.R. | | Deposit date: | 2004-01-05 | | Release date: | 2004-08-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Human heme oxygenase oxidation of 5- and 15-phenylhemes.
J.Biol.Chem., 279, 2004
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2JBH
 | | Human phosphoribosyl transferase domain containing 1 | | Descriptor: | CALCIUM ION, GUANOSINE-5'-MONOPHOSPHATE, PHOSPHATE ION, ... | | Authors: | Welin, M, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Eklund, H, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P. | | Deposit date: | 2006-12-07 | | Release date: | 2006-12-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Functional Studies of the Human Phosphoribosyltransferase Domain Containing Protein 1.
FEBS J., 277, 2010
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4R8X
 | | Crystal structure of a uricase from Bacillus fastidious | | Descriptor: | Uricase | | Authors: | Feng, J, Wang, L, Liu, H.B, Liu, L, Liao, F. | | Deposit date: | 2014-09-03 | | Release date: | 2015-05-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.401 Å) | | Cite: | Crystal structure of Bacillus fastidious uricase reveals an unexpected folding of the C-terminus residues crucial for thermostability under physiological conditions.
Appl.Microbiol.Biotechnol., 99, 2015
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5NHL
 | | Human Erk2 with an Erk1/2 inhibitor | | Descriptor: | (6~{R})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | Deposit date: | 2017-03-21 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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5NLS
 | | Auxiliary activity 9 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ... | | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Tandrup, T, Lo Leggio, L. | | Deposit date: | 2017-04-04 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and electronic determinants of lytic polysaccharide monooxygenase reactivity on polysaccharide substrates.
Nat Commun, 8, 2017
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