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6RZL	Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:4(Bromine) Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-bromophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION Authors: Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. Deposit date: 2019-06-13 Release date: 2020-07-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.045 Å) Cite: Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
6RQU	X-ray crystal structure of H/D exchanged (H/D) small monoclinic unit cell CA IX SV. Descriptor: ACETATE ION, Carbonic anhydrase 9, ZINC ION Authors: Fisher, Z, Koruza, K. Deposit date: 2019-05-16 Release date: 2019-10-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.393 Å) Cite: Structural comparison of protiated, H/D-exchanged and deuterated human carbonic anhydrase IX. Acta Crystallogr D Struct Biol, 75, 2019
6RQQ	X-ray crystal structure of protiated (H) large monoclinic unit cell CA IX SV. Descriptor: Carbonic anhydrase 9, FORMIC ACID, ZINC ION Authors: Fisher, Z, Koruza, K. Deposit date: 2019-05-16 Release date: 2019-09-11 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.276 Å) Cite: Structural comparison of protiated, H/D-exchanged and deuterated human carbonic anhydrase IX. Acta Crystallogr D Struct Biol, 75, 2019
7NWL	Cryo-EM structure of human integrin alpha5beta1 (open form) in complex with fibronectin and TS2/16 Fv-clasp Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin alpha-5, ... Authors: Schumacher, S, Dedden, D, Vazquez Nunez, R, Matoba, K, Takagi, J, Biertumpfel, C, Mizuno, N. Deposit date: 2021-03-17 Release date: 2021-06-02 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Structural insights into integrin alpha 5 beta 1 opening by fibronectin ligand. Sci Adv, 7, 2021
2MYW	Solution structure of M. oryzae protein AVR-PIA Descriptor: AVR-Pia protein Authors: de Guillen, K, Kroj, T. Deposit date: 2015-01-30 Release date: 2015-10-14 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Structure Analysis Uncovers a Highly Diverse but Structurally Conserved Effector Family in Phytopathogenic Fungi. Plos Pathog., 11, 2015
2MYV	Solution structure of M. oryzae protein AVR1-CO39 Descriptor: Uncharacterized protein Authors: de Guillen, K, Kroj, T. Deposit date: 2015-01-30 Release date: 2015-10-14 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Structure Analysis Uncovers a Highly Diverse but Structurally Conserved Effector Family in Phytopathogenic Fungi. Plos Pathog., 11, 2015
8VXE	Structure of p38 alpha (Mitogen-activated protein kinase 14) complexed with inhibitor 6 Descriptor: (4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine, Mitogen-activated protein kinase 14 Authors: Blaesse, M, Steinbacher, S, Shaffer, P.L, Sharma, S, Thompson, A.A. Deposit date: 2024-02-04 Release date: 2024-05-08 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions. Acs Med.Chem.Lett., 15, 2024
1OBB	alpha-glucosidase A, AglA, from Thermotoga maritima in complex with maltose and NAD+ Descriptor: ALPHA-GLUCOSIDASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose Authors: Lodge, J.A, Maier, T, Liebl, W, Hoffmann, V, Strater, N. Deposit date: 2003-01-29 Release date: 2003-05-21 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal Structure of Thermotoga Maritima Alpha-Glucosidase Agla Defines a New Clan of Nad+-Dependent Glycosidases J.Biol.Chem., 278, 2003
5O8U	Covalent Inhibitor 4b bound to the Lipid Pocket of p38alpha Mutant S252C Descriptor: 4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one, Mitogen-activated protein kinase 14 Authors: Buehrmann, M, Rauh, D. Deposit date: 2017-06-14 Release date: 2017-09-06 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2 Å) Cite: Covalent Lipid Pocket Ligands Targeting p38 alpha MAPK Mutants. Angew. Chem. Int. Ed. Engl., 56, 2017
5O8V	Covalent Inhibitor 4a bound to the Lipid Pocket of p38alpha Mutant S251C Descriptor: Mitogen-activated protein kinase 14, ~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide Authors: Buehrmann, M, Rauh, D. Deposit date: 2017-06-14 Release date: 2017-09-06 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2 Å) Cite: Covalent Lipid Pocket Ligands Targeting p38 alpha MAPK Mutants. Angew. Chem. Int. Ed. Engl., 56, 2017
7BBN	Crystal structure of an ancient sequence-reconstructed Elongation Factor Tu (node 317) Descriptor: Elongation Factor Tu, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION Authors: Majumdar, S, Bergfors, T, Sanyal, S. Deposit date: 2020-12-18 Release date: 2022-01-19 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Crystal structure of an ancient sequence-reconstructed Elongation factor Tu (node 317) To be published
7BN3	Crystal structure of C-terminal domain of PABPC1 in complex with Nucleoprotein from Human Coronavirus 229E Descriptor: GLYCEROL, Isoform 2 of Polyadenylate-binding protein 1, Nucleoprotein from Human Coronavirus 229E, ... Authors: Badgujar, D.C, Dobritzsch, D. Deposit date: 2021-01-21 Release date: 2022-03-02 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Large-scale phage-based screening reveals extensive pan-viral mimicry of host short linear motifs Nat Commun, 14, 2023
7BFC	Circular permutant of ribosomal protein S6, P54-55 truncated, Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6 Authors: Wang, H, Logan, D.T, Oliveberg, M. Deposit date: 2021-01-02 Release date: 2022-07-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.13 Å) Cite: Circular permutant of ribosomal protein S6 To Be Published
7BFD	Circular permutant of ribosomal protein S6, P54-55 truncated, Y4A mutant. Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6 Authors: Wang, H, Logan, D.T, Oliveberg, M. Deposit date: 2021-01-02 Release date: 2022-07-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.57 Å) Cite: Circular permutant of ribosomal protein S6 To Be Published
3LSM	Pyranose 2-oxidase H167A mutant with flavin N(5) sulfite adduct Descriptor: (S)-10-((2S,3S,4R)-5-((S)-((S)-(((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHOXY)(HYDROXY)PHOSPHORYLOXY)(HYDROXY)PHOSPHORYLOXY)-2,3,4-TRIHYDROXYPENTYL)-7,8-DIMETHYL-2,4-DIOXO-2,3,4,4A-TETRAHYDROBENZO[G]PTERIDINE-5(10H)-SULFONIC ACID, DODECAETHYLENE GLYCOL, Pyranose 2-oxidase, ... Authors: Tan, T.C, Spadiut, O, Divne, C. Deposit date: 2010-02-12 Release date: 2010-08-25 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.7 Å) Cite: H-bonding and positive charge at the N5/O4 locus are critical for covalent flavin attachment in trametes pyranose 2-oxidase. J.Mol.Biol., 402, 2010
3LA8	The Crystal Structure of smu.1229 from Streptococcus mutans UA159 Descriptor: Putative purine nucleoside phosphorylase, SULFATE ION Authors: Su, X.-D, Hou, Q.M, Liu, X. Deposit date: 2010-01-06 Release date: 2011-01-12 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.8 Å) Cite: The Crystal Structure of smu.1229 from Streptococcus mutans UA159 TO BE PUBLISHED
3LSK	Pyranose 2-oxidase T169S acetate complex Descriptor: ACETATE ION, DODECAETHYLENE GLYCOL, FLAVIN-ADENINE DINUCLEOTIDE, ... Authors: Tan, T.C, Spadiut, O, Divne, C. Deposit date: 2010-02-12 Release date: 2010-08-25 Last modified: 2021-10-13 Method: X-RAY DIFFRACTION (1.95 Å) Cite: H-bonding and positive charge at the N5/O4 locus are critical for covalent flavin attachment in trametes pyranose 2-oxidase. J.Mol.Biol., 402, 2010
3LSH	Pyranose 2-oxidase T169A, monoclinic Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase Authors: Divne, C, Tan, T.C, Spadiut, O. Deposit date: 2010-02-12 Release date: 2010-08-25 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.9 Å) Cite: H-bonding and positive charge at the N5/O4 locus are critical for covalent flavin attachment in trametes pyranose 2-oxidase. J.Mol.Biol., 402, 2010
3M4Z	Crystal Structure of B. subtilis ferrochelatase with Cobalt bound at the active site Descriptor: CHLORIDE ION, COBALT (II) ION, Ferrochelatase, ... Authors: Soderberg, C.A.G, Hansson, M.D, Sreekanth, R, Al-Karadaghi, S, Hansson, M. Deposit date: 2010-03-12 Release date: 2010-11-10 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Bacterial ferrochelatase goes human: Tyr13 determines the apparent metal specificity of Bacillus subtilis ferrochelatase To be Published
6QO1	Crystal structure of Borrelia (Borreliella) burgdorferi outer surface protein BBA69 Descriptor: Putative surface protein Authors: Brangulis, K, Akopjana, I, Petrovskis, I, Kazaks, A, Tars, K. Deposit date: 2019-02-12 Release date: 2019-06-26 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Crystal structure of Borrelia burgdorferi outer surface protein BBA69 in comparison to the paralogous protein CspA. Ticks Tick Borne Dis, 10, 2019
6HMY	Cholera toxin classical B-pentamer in complex with fucosyl-GM1 Descriptor: BICINE, CALCIUM ION, Cholera enterotoxin B-subunit, ... Authors: Krengel, U, Heim, J.B. Deposit date: 2018-09-13 Release date: 2019-08-14 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structures of cholera toxin in complex with fucosylated receptors point to importance of secondary binding site. Sci Rep, 9, 2019
7DV8	The crystal structure of rice immune receptor RGA5-HMA2. Descriptor: Disease resistance protein RGA5 Authors: Zhang, X, Liu, J.F. Deposit date: 2021-01-12 Release date: 2021-10-20 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.447 Å) Cite: A designer rice NLR immune receptor confers resistance to the rice blast fungus carrying noncorresponding avirulence effectors. Proc.Natl.Acad.Sci.USA, 118, 2021
3CGD	Pyridine Nucleotide Complexes with Bacillus anthracis Coenzyme A-Disulfide Reductase: A Structural Analysis of Dual NAD(P)H Specificity Descriptor: COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... Authors: Wallen, J.R. Deposit date: 2008-03-05 Release date: 2008-04-22 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Pyridine Nucleotide Complexes with Bacillus anthracis Coenzyme A-Disulfide Reductase: A Structural Analysis of Dual NAD(P)H Specificity. Biochemistry, 47, 2008
3CGC	Pyridine Nucleotide Complexes with Bacillus anthracis Coenzyme A-Disulfide Reductase: A Structural Analysis of Dual NAD(P)H Specificity Descriptor: COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, Pyridine nucleotide-disulfide oxidoreductase, ... Authors: Wallen, J.R. Deposit date: 2008-03-05 Release date: 2008-04-22 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Pyridine Nucleotide Complexes with Bacillus anthracis Coenzyme A-Disulfide Reductase: A Structural Analysis of Dual NAD(P)H Specificity. Biochemistry, 47, 2008
3DFZ	SirC, precorrin-2 dehydrogenase Descriptor: GLYCEROL, Precorrin-2 dehydrogenase, SULFATE ION Authors: Schubert, H.L, Hill, C.P, Warren, M.J. Deposit date: 2008-06-12 Release date: 2008-10-21 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure and function of SirC from Bacillus megaterium: a metal-binding precorrin-2 dehydrogenase Biochem.J., 415, 2008

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