7UYW
 
 | | Crystal structure of JAK2 kinase domain in complex with compound 30 | | Descriptor: | 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one, Tyrosine-protein kinase JAK2 | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2022-05-07 | | Release date: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
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3TBY
 | | CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (V3P, Y4F) | | Descriptor: | Beta-2-microglobulin, GLYCOPROTEIN GPC, H-2 class I histocompatibility antigen, ... | | Authors: | Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A. | | Deposit date: | 2011-08-08 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition
To be Published
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1SHW
 | | EphB2 / EphrinA5 Complex Structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-B receptor 2, Ephrin-A5, ... | | Authors: | Himanen, J.P, Chumley, M.J, Lackmann, M, Li, C, Barton, W.A, Jeffrey, P.D, Vearing, C, Geleick, D, Feldheim, D.A, Boyd, A.W. | | Deposit date: | 2004-02-26 | | Release date: | 2004-05-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Repelling class discrimination: ephrin-A5 binds to and activates EphB2 receptor signaling
Nat.Neurosci., 7, 2004
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3FU7
 | | Melanocarpus albomyces laccase crystal soaked (4 sec) with 2,6-dimethoxyphenol | | Descriptor: | 2,6-dimethoxycyclohexa-2,5-diene-1,4-dione, 2,6-dimethoxyphenol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kallio, J.P, Hakulinen, N, Rouvinen, J. | | Deposit date: | 2009-01-14 | | Release date: | 2009-09-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structure Function Studies of a Melanocarpus albomyces Laccase Suggest a Pathway for Oxidation of Phenolic Compounds.
J.Mol.Biol., 392, 2009
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6TU1
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ASI_M3M_091) | | Descriptor: | (2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-12-31 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
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4A7G
 | | Structure of human I113T SOD1 mutant complexed with 4-methylpiperazin- 1-yl)quinazoline in the p21 space group. | | Descriptor: | 4-(4-METHYLPIPERAZIN-1-YL)QUINAZOLINE, ACETATE ION, COPPER (II) ION, ... | | Authors: | Wright, G.S.A, Kershaw, N.M, Sharma, R, Antonyuk, S.V, Strange, R.W, Berry, N.G, O'Neil, P.M, Hasnain, S.S. | | Deposit date: | 2011-11-14 | | Release date: | 2012-10-24 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | X-ray crystallography and computational docking for the detection and development of protein-ligand interactions.
Curr.Med.Chem., 20, 2013
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6L42
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6L4Z
 | | Crystal structure of Zika NS2B-NS3 protease with compound 6 | | Descriptor: | 4-(hydroxymethyl)benzoic acid, Genome polyprotein | | Authors: | Quek, J.P. | | Deposit date: | 2019-10-21 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification and structural characterization of small molecule fragments targeting Zika virus NS2B-NS3 protease.
Antiviral Res., 175, 2020
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2YIX
 | | Triazolopyridine Inhibitors of p38 | | Descriptor: | 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | Authors: | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M. | | Deposit date: | 2011-05-17 | | Release date: | 2011-11-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 54, 2011
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2YOY
 | | Bacillus amyloliquefaciens CBM33 in complex with Cu(I) reduced using ascorbate | | Descriptor: | 1,2-ETHANEDIOL, COPPER (I) ION, RBAM17540 | | Authors: | Hemsworth, G.R, Taylor, E.J, Kim, R.Q, Lewis, S.J, Turkenburg, J.P, Davies, G.J, Walton, P.H. | | Deposit date: | 2012-10-29 | | Release date: | 2013-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Copper Active Site of Cbm33 Polysaccharide Oxygenases.
J.Am.Chem.Soc., 135, 2013
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6L6F
 | | GluK3 receptor complex with UBP301 | | Descriptor: | Glutamate receptor ionotropic, kainate 3 | | Authors: | Kumar, J, Kumari, J, Burada, A.P. | | Deposit date: | 2019-10-28 | | Release date: | 2020-03-04 | | Method: | ELECTRON MICROSCOPY (10.6 Å) | | Cite: | Structural dynamics of the GluK3-kainate receptor neurotransmitter binding domains revealed by cryo-EM.
Int.J.Biol.Macromol., 149, 2020
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2OC3
 | | Crystal Structure of the Catalytic Domain of Human Protein Tyrosine Phosphatase non-receptor Type 18 | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 18 | | Authors: | Ugochukwu, E, Barr, A, Alfano, I, Gorrec, F, Umeano, C, Savitsky, P, Sobott, F, Eswaran, J, Papagrigoriou, E, Debreczeni, J.E, Turnbull, A, Bunkoczi, G, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-12-20 | | Release date: | 2007-01-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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2GIW
 | | SOLUTION STRUCTURE OF REDUCED HORSE HEART CYTOCHROME C, NMR, 40 STRUCTURES | | Descriptor: | CYTOCHROME C, HEME C | | Authors: | Banci, L, Bertini, I, Huber, J.G, Spyroulias, G.A, Turano, P. | | Deposit date: | 1998-06-25 | | Release date: | 1998-12-09 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Solution structure of reduced horse heart cytochrome c.
J.Biol.Inorg.Chem., 4, 1999
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3MW0
 | | X-ray structure of the doubly hydroxylated iron complex-NikA species, NikA1/O2 | | Descriptor: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid, DITHIANE DIOL, FE (III) ION, ... | | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | | Deposit date: | 2010-05-05 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex
NAT.CHEM., 2, 2010
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2OE2
 | | MSrecA-native-low humidity 95% | | Descriptor: | PHOSPHATE ION, Protein recA | | Authors: | Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M. | | Deposit date: | 2006-12-28 | | Release date: | 2007-06-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA
J.Mol.Biol., 367, 2007
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6LCN
 | | Crystal structure of Serine Acetyltransferase from Planctomyces limnophilus at 2.15A | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Kumar, N, Singh, R.P, Singh, A.K, Kumaran, S. | | Deposit date: | 2019-11-19 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Understanding Mechanics of competitive-allostery Using Engineered Cysteine Synthase Assembly
To Be Published
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2GRI
 | | NMR Structure of the SARS-CoV non-structural protein nsp3a | | Descriptor: | NSP3 | | Authors: | Serrano, P, Almeida, M.S, Johnson, M.A, Herrmann, T, Saikatendu, K.S, Joseph, J, Subramanian, V, Neuman, B.W, Buchmeier, M.J, Stevens, R.C, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2006-04-24 | | Release date: | 2006-12-19 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Nuclear magnetic resonance structure of the N-terminal domain of nonstructural protein 3 from the severe acute respiratory syndrome coronavirus.
J.Virol., 81, 2007
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2OGT
 | | Crystal Structure of the Geobacillus Stearothermophilus Carboxylesterase EST55 at pH 6.8 | | Descriptor: | GLYCEROL, IODIDE ION, Thermostable carboxylesterase Est50 | | Authors: | Liu, P, Ewis, H.E, Tai, P.C, Lu, C.D, Weber, I.T. | | Deposit date: | 2007-01-08 | | Release date: | 2007-02-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal Structure of the Geobacillus stearothermophilus Carboxylesterase Est55 and Its Activation of Prodrug CPT-11.
J.Mol.Biol., 367, 2007
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1SQF
 | | The crystal structure of E. coli Fmu binary complex with S-Adenosylmethionine at 2.1 A resolution | | Descriptor: | S-ADENOSYLMETHIONINE, SUN protein | | Authors: | Foster, P.G, Nunes, C.R, Greene, P, Moustakas, D, Stroud, R.M. | | Deposit date: | 2004-03-18 | | Release date: | 2004-05-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The First Structure of an RNA m5C Methyltransferase,
Fmu, Provides Insight into Catalytic Mechanism
and Specific Binding of RNA Substrate
Structure, 11, 2003
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7XQT
 | | The structure of FLA-K*00701/KP-FECV-11 | | Descriptor: | Beta-2-microglobulin, MHC class I antigen alpha chain, peptide from Spike glycoprotein | | Authors: | Qiao, P.W, Yue, C, Peng, W.Y, Liu, K.F, Huo, S.T, Zhang, D, Chai, Y, Qi, J.X, Sun, Z.Y, Gao, G.F, Liu, W.J, Wu, G.Z. | | Deposit date: | 2022-05-08 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Analysis of the characteristics of feline major histocompatibility complex class I molecules cross-presenting coronavirus peptides
To Be Published
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1O29
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FAD and FdUMP at 2.0 A resolution | | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-18 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
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1O28
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FdUMP at 2.1 A resolution | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, TRIETHYLENE GLYCOL, ... | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-18 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
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7XQS
 | | The structure of FLA-K*00701/KP-CoV-9 | | Descriptor: | Beta-2-microglobulin, MHC class I antigen alpha chain, peptide from Spike glycoprotein | | Authors: | Qiao, P.W, Yue, C, Peng, W.Y, Liu, K.F, Huo, S.T, Zhang, D, Chai, Y, Qi, J.X, Sun, Z.Y, Gao, G.F, Liu, W.J, Wu, G.Z. | | Deposit date: | 2022-05-08 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Analysis of the characteristics of feline major histocompatibility complex class I molecules cross-presenting coronavirus peptides
To Be Published
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7XQU
 | | The structure of FLA-E*00301/EM-FECV-10 | | Descriptor: | Beta-2-microglobulin, MHC class I antigen, peptide from Nucleoprotein | | Authors: | Qiao, P.W, Yue, C, Peng, W.Y, Liu, K.F, Huo, S.T, Zhang, D, Chai, Y, Qi, J.X, Sun, Z.Y, Gao, G.F, Liu, W.J, Wu, G.Z. | | Deposit date: | 2022-05-08 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Analysis of the characteristics of feline major histocompatibility complex class I molecules cross-presenting coronavirus peptides
To Be Published
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7V9H
 | | The BEN3 domain of protein Bend3 | | Descriptor: | BEN domain-containing protein 3 | | Authors: | Zhang, J, Zhang, Y, You, Q, Huang, C, Zhang, T, Wang, M, Zhang, T, Yang, X, Xiong, J, Li, Y, Liu, C.P, Zhang, Z, Xu, R.M, Zhu, B. | | Deposit date: | 2021-08-25 | | Release date: | 2022-02-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.692 Å) | | Cite: | Highly enriched BEND3 prevents the premature activation of bivalent genes during differentiation.
Science, 375, 2022
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