1NG4
 
 | | Structure of ThiO (glycine oxidase) from Bacillus subtilis | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Glycine oxidase, HYDROGEN PEROXIDE, ... | | Authors: | Settembre, E.C, Dorrestein, P.C, Park, J, Augustine, A, Begley, T.P, Ealick, S.E. | | Deposit date: | 2002-12-16 | | Release date: | 2003-04-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Mechanistic Studies on ThiO, a Glycine Oxidase Essential for Thiamin Biosynthesis in Bacillus subtilis
Biochemistry, 42, 2003
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6AU2
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine, BETA-MERCAPTOETHANOL, ... | | Authors: | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-08-30 | | Release date: | 2017-10-11 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Identification and characterization of the first fragment hits for SETDB1 Tudor domain.
Bioorg.Med.Chem., 27, 2019
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5KE2
 | | Crystal structure of SETDB1 Tudor domain in complex with inhibitor XST06472A | | Descriptor: | (3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ... | | Authors: | Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-09 | | Release date: | 2016-07-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal structure of SETDB1 Tudor domain in complex with inhibitor xst06472a
to be published
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2QSQ
 | | Crystal structure of the N-terminal domain of carcinoembryonic antigen (CEA) | | Descriptor: | CHLORIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 5, GLYCEROL | | Authors: | Le Trong, I, Korotkova, N, Moseley, S.L, Stenkamp, R.E. | | Deposit date: | 2007-07-31 | | Release date: | 2008-01-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Binding of Dr adhesins of Escherichia coli to carcinoembryonic antigen triggers receptor dissociation.
Mol.Microbiol., 67, 2008
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7BHO
 | | DNA origami signpost designed model | | Descriptor: | DNA, DNA scaffold | | Authors: | Silvester, E, Vollmer, B, Prazak, V, Vasishtan, D, Machala, E.A, Whittle, C, Black, S, Bath, J, Turberfield, A.J, Gruenewald, K, Baker, L.A. | | Deposit date: | 2021-01-11 | | Release date: | 2021-04-14 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (36.439999 Å) | | Cite: | DNA origami signposts for identifying proteins on cell membranes by electron cryotomography.
Cell, 184, 2021
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3PG9
 | | Thermotoga maritima DAH7P synthase in complex with inhibitor | | Descriptor: | AZIDE ION, CHLORIDE ION, NITRATE ION, ... | | Authors: | Cross, P.J, Dobson, R.C.J, Patchett, M.L, Parker, E.J. | | Deposit date: | 2010-10-31 | | Release date: | 2011-01-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Tyrosine latching of a regulatory gate affords allosteric control of aromatic amino acid biosynthesis
J.Biol.Chem., 286, 2011
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5UE6
 | | Structure of nitrite reductase AniA from Neisseria gonorrhoeae, space group I4122 | | Descriptor: | COPPER (II) ION, Nitrite reductase, SODIUM ION | | Authors: | Hamza, A, Williamson, Z.A, Reed, R.W, Sikora, A.E, Korotkov, K.V. | | Deposit date: | 2016-12-29 | | Release date: | 2017-02-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Peptide Inhibitors Targeting the Neisseria gonorrhoeae Pivotal Anaerobic Respiration Factor AniA.
Antimicrob. Agents Chemother., 61, 2017
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6EHQ
 | | E. coli Hydrogenase-2 (as isolated form). | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2 large chain, ... | | Authors: | Carr, S.B, Beaton, S.E, Evans, R.M, Armstrong, F.A. | | Deposit date: | 2017-09-14 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structure of hydrogenase-2 fromEscherichia coli: implications for H2-driven proton pumping.
Biochem. J., 475, 2018
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1N7M
 | | Germline 7G12 with N-methylmesoporphyrin | | Descriptor: | Germline Metal Chelatase Catalytic Antibody, chain H, chain L, ... | | Authors: | Yin, J, Andryski, S.E, Beuscher IV, A.E, Stevens, R.C, Schultz, P.G. | | Deposit date: | 2002-11-15 | | Release date: | 2003-02-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural evidence for substrate strain in antibody catalysis
Proc.Natl.Acad.Sci.USA, 100, 2003
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1DWX
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and tetrahydrobiopterin | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ... | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1999-12-14 | | Release date: | 2000-02-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins
Biochemistry, 39, 2000
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7BHT
 | | Crystal structure of MAT2a with quinazolinone fragment 5 bound in the allosteric site | | Descriptor: | 7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | | Deposit date: | 2021-01-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.052 Å) | | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
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2B2E
 | | RNA stemloop from bacteriophage MS2 complexed with an N87S,E89K mutant MS2 capsid | | Descriptor: | 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP*UP*AP*CP*CP*CP*AP*UP*GP*U)-3', Coat protein | | Authors: | Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G. | | Deposit date: | 2005-09-19 | | Release date: | 2006-05-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural basis of RNA binding discrimination between bacteriophages Qbeta and MS2
Structure, 14, 2006
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7BHX
 | | Crystal structure of MAT2a bound to allosteric inhibitor (compound 31) | | Descriptor: | 7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | | Deposit date: | 2021-01-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
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8TTT
 | | Structure of SNX27 FERM complexed with Fam21A repeat 15 (1124-1140) | | Descriptor: | DI(HYDROXYETHYL)ETHER, Fam21A repeat 15 peptide, GLYCEROL, ... | | Authors: | Guo, Q, Chen, K.-E, Collins, B.M. | | Deposit date: | 2023-08-15 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural basis for coupling of the WASH subunit FAM21 with the endosomal SNX27-Retromer complex.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8OG4
 | | Exostosin-like 3 UDP complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Exostosin-like 3, MANGANESE (II) ION, ... | | Authors: | Sammon, D, Hohenester, E. | | Deposit date: | 2023-03-18 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular mechanism of decision-making in glycosaminoglycan biosynthesis.
Nat Commun, 14, 2023
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5CN4
 | | Ultrafast dynamics in myoglobin: -0.1 ps time delay | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
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8TTV
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2WOK
 | | Clavulanic acid biosynthesis oligopeptide binding protein 2 complexed with bradykinin | | Descriptor: | CLAVULANIC ACID BIOSYNTHESIS OLIGOPEPTIDE BINDING PROTEIN 2, GLYCEROL, Kininogen-1 | | Authors: | Mackenzie, A.K, Valegard, K, Iqbal, A, Caines, M.E.C, Kershaw, N.J, Jensen, S.E, Schofield, C.J, Andersson, I. | | Deposit date: | 2009-07-26 | | Release date: | 2009-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of an oligopeptide-binding protein from the biosynthetic pathway of the beta-lactamase inhibitor clavulanic acid.
J. Mol. Biol., 396, 2010
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8TTU
 | | Structure of SNX27 FERM complexed with Fam21A repeat 19 (1261 - 1274) | | Descriptor: | DI(HYDROXYETHYL)ETHER, Fam21A repeat 19 peptide, GLYCEROL, ... | | Authors: | Guo, Q, Chen, K.-E, Collins, B.M. | | Deposit date: | 2023-08-15 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Structural basis for coupling of the WASH subunit FAM21 with the endosomal SNX27-Retromer complex.
Proc.Natl.Acad.Sci.USA, 121, 2024
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1ND6
 | | Crystal Structures of Human Prostatic Acid Phosphatase in Complex with a Phosphate Ion and alpha-Benzylaminobenzylphosphonic Acid Update the Mechanistic Picture and Offer New Insights into Inhibitor Design | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | | Authors: | Ortlund, E, LaCount, M.W, Lebioda, L. | | Deposit date: | 2002-12-07 | | Release date: | 2002-12-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of human prostatic acid phosphatase in complex with a
phosphate ion and alpha-benzylaminobenzylphosphonic acid update the
mechanistic picture and offer new insights into inhibitor design
Biochemistry, 42, 2003
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4NKX
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8TTC
 | | Structure of retromer VPS29-VPS35 (483-796) complexed with Fam21A repeat 20 (1289-1302) | | Descriptor: | ACETATE ION, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Chen, K.-E, Guo, Q, Collins, B.M. | | Deposit date: | 2023-08-13 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Structural basis for coupling of the WASH subunit FAM21 with the endosomal SNX27-Retromer complex.
Proc.Natl.Acad.Sci.USA, 121, 2024
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3LM5
 | | Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) in complex with Quercetin | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Serine/threonine-protein kinase 17B | | Authors: | Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, Carpenter, L, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-01-29 | | Release date: | 2010-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
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2BBJ
 | | Crystal structure of the CorA Mg2+ transporter | | Descriptor: | divalent cation transport-related protein | | Authors: | Lunin, V.V, Dobrovetsky, E, Khutoreskaya, G, Zhang, R, Joachimiak, A, Bochkarev, A, Maguire, M.E, Edwards, A.M, Koth, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-10-17 | | Release date: | 2005-12-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Crystal structure of the CorA Mg2+ transporter
Nature, 440, 2006
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1H2G
 | | Altered substrate specificity mutant of penicillin acylase | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PENICILLIN G ACYLASE ALPHA SUBUNIT, ... | | Authors: | McVey, C.E, Morillas, M, Brannigan, J.A, Ladurner, A.G, Forney, L.J, Virden, R. | | Deposit date: | 2002-08-08 | | Release date: | 2003-07-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mutations of Penicillin Acylase Residue B71 Extend Substrate Specificity by Decreasing Steric Constraints for Substrate Binding
Biochem.J., 371, 2003
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