4M4V
 
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4M7F
 | | Crystal structure of tetrameric fibrinogen-like recognition domain of FIBCD1 with bound ManNAc | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Shrive, A.K, Greenhough, T.J, Holmskov, U. | | Deposit date: | 2013-08-12 | | Release date: | 2013-12-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of the Tetrameric Fibrinogen-like Recognition Domain of Fibrinogen C Domain Containing 1 (FIBCD1) Protein.
J.Biol.Chem., 289, 2014
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4M9P
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4M6H
 | | Structure of the reduced, metal-free form of Mycobacterium tuberculosis peptidoglycan amidase Rv3717 | | Descriptor: | Peptidoglycan Amidase Rv3717 | | Authors: | Prigozhin, D.M, Mavrici, D, Huizar, J.P, Vansell, H.J, Alber, T, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2013-08-09 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.194 Å) | | Cite: | Structural and Biochemical Analyses of Mycobacterium tuberculosis N-Acetylmuramyl-L-alanine Amidase Rv3717 Point to a Role in Peptidoglycan Fragment Recycling.
J.Biol.Chem., 288, 2013
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4M76
 | | Integrin I domain of complement receptor 3 in complex with C3d | | Descriptor: | Complement C3, Integrin alpha-M, NICKEL (II) ION | | Authors: | Bajic, G, Yatime, L, Vorup-Jensen, T, Andersen, G.R. | | Deposit date: | 2013-08-12 | | Release date: | 2013-10-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.804 Å) | | Cite: | Structural insight on the recognition of surface-bound opsonins by the integrin I domain of complement receptor 3.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4MEQ
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 5-methyl-triazolopyrimidine ligand | | Descriptor: | 1,2-ETHANEDIOL, 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine, Bromodomain-containing protein 4 | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-08-27 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
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4M97
 | | Calcium-Dependent Protein Kinase 1 from Neospora caninum | | Descriptor: | Calmodulin-like domain protein kinase isoenzyme gamma, related | | Authors: | Merritt, E.A. | | Deposit date: | 2013-08-14 | | Release date: | 2013-10-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
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4MAI
 | | Structure of Aspergillus oryzae AA11 Lytic Polysaccharide Monooxygenase with Cu(I) | | Descriptor: | 1,2-ETHANEDIOL, AA11 Lytic Polysaccharide Monooxygenase, CHLORIDE ION, ... | | Authors: | Hemsworth, G.R, Henrissat, B, Walton, P.H, Davies, G.J. | | Deposit date: | 2013-08-16 | | Release date: | 2013-12-18 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery and characterization of a new family of lytic polysaccharide monooxygenases.
Nat.Chem.Biol., 10, 2014
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4MAR
 | | Crystal structure of purine nucleoside phosphorylase from Meiothermus ruber DSM 1279 complexed with sulfate. | | Descriptor: | MAGNESIUM ION, Purine nucleoside phosphorylase DeoD-type, SULFATE ION | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-08-16 | | Release date: | 2013-10-09 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal structure of purine nucleoside phosphorylase from Meiothermus ruber DSM 1279 complexed with sulfate.
To be Published
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4MDG
 | | Closo Carborane Carbonic Anhydrase Inhibitor | | Descriptor: | 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane, Carbonic anhydrase 2, ZINC ION | | Authors: | Brynda, J, Mader, P, Rezacova, P. | | Deposit date: | 2013-08-22 | | Release date: | 2014-01-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Carborane-based carbonic anhydrase inhibitors.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4LP5
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4LSR
 | | Crystal structure of broadly and potently neutralizing antibody VRC-CH31 in complex with HIV-1 clade A/E stran 93TH057 gp120 with LOOP D and Loop V5 from clade A strain KER_2018_11 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 WITH LOOP D AND V5 FROM STRAIN ker_2018_11, HEAVY CHAIN OF ANTIBODY VRC-CH31, ... | | Authors: | Zhou, T, Moquin, S, Kwong, P.D. | | Deposit date: | 2013-07-23 | | Release date: | 2013-08-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
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4KZK
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4DY6
 | | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 2'-phosphate bis(adenosine)-5'-diphosphate | | Descriptor: | CITRIC ACID, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, inorganic polyphosphate/ATP-NAD kinase 1 | | Authors: | Poncet-Montange, G, Assairi, L, Arold, S, Pochet, S, Labesse, G. | | Deposit date: | 2012-02-28 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | NAD kinases use substrate-assisted catalysis for specific recognition of NAD.
J.Biol.Chem., 282, 2007
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4L5F
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4L5O
 | | Crystal structure of 26 kDa GST D26H mutant of Clonorchis sinensis | | Descriptor: | GLUTATHIONE, Putative glutathione transferase, SULFATE ION, ... | | Authors: | Chung, Y.J, Han, Y.H. | | Deposit date: | 2013-06-11 | | Release date: | 2013-09-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal structures of 26kDa Clonorchis sinensis glutathione S-transferase reveal zinc binding and putative metal binding.
Biochem.Biophys.Res.Commun., 438, 2013
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4E05
 | | Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ... | | Authors: | Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B. | | Deposit date: | 2012-03-02 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4E1I
 | | Fragment of human prion protein | | Descriptor: | Major prion protein | | Authors: | Apostol, M.I, Surewicz, W.K. | | Deposit date: | 2012-03-06 | | Release date: | 2013-03-06 | | Last modified: | 2013-11-27 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal structure of a human prion protein fragment reveals a motif for oligomer formation.
J.Am.Chem.Soc., 135, 2013
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4LBN
 | | Crystal structure of Human galectin-3 CRD in complex with LNnT | | Descriptor: | CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Collins, P.M, Blanchard, H. | | Deposit date: | 2013-06-20 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Galectin-3 interactions with glycosphingolipids.
J.Mol.Biol., 426, 2014
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4LBZ
 | | Identifying ligand binding hot spots in proteins using brominated fragments | | Descriptor: | AMMONIUM ION, Elongation factor Tu-A, MAGNESIUM ION, ... | | Authors: | Groftehauge, M.K, Therkelsen, M, Taaning, R, Skrydstrup, T, Morth, J.P, Nissen, P. | | Deposit date: | 2013-06-21 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.223 Å) | | Cite: | Identifying ligand-binding hot spots in proteins using brominated fragments.
Acta Crystallogr.,Sect.F, 69, 2013
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4LCC
 | | Crystal structure of a human MAIT TCR in complex with a bacterial antigen bound to humanized bovine MR1 | | Descriptor: | 1-deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl]-D-arabinitol, Beta-2-microglobulin, MHC class I-related protein, ... | | Authors: | Lopez-Sagaseta, J, Adams, E.J. | | Deposit date: | 2013-06-21 | | Release date: | 2013-10-16 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (3.263 Å) | | Cite: | MAIT Recognition of a Stimulatory Bacterial Antigen Bound to MR1.
J.Immunol., 191, 2013
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4L7S
 | | Kinase domain mutant of human Itk in complex with an aminobenzothiazole inhibitor | | Descriptor: | SULFATE ION, Tyrosine-protein kinase ITK/TSK, trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol | | Authors: | Somers, D.O. | | Deposit date: | 2013-06-14 | | Release date: | 2014-01-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Identification of a Novel and Selective Series of Itk Inhibitors via a Template-Hopping Strategy.
ACS Med Chem Lett, 4, 2013
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4L8B
 | | Crystal structure of the H2Db in complex with the NP-N5H peptide | | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, H-2 class I histocompatibility antigen, ... | | Authors: | Rossjohn, J, Gras, S. | | Deposit date: | 2013-06-16 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Acute emergence and reversion of influenza A virus quasispecies within CD8(+) T cell antigenic peptides.
Nat Commun, 4, 2013
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4E1T
 | | X-ray crystal structure of the transmembrane beta-domain from invasin from Yersinia pseudotuberculosis | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Invasin | | Authors: | Fairman, J.W, Dautin, N, Wojtowicz, D, Wei, L, Noinaj, N, Barnard, T.J, Udho, E, Finkelstein, A, Przytycka, T.M, Cherezov, V, Buchanan, S.K. | | Deposit date: | 2012-03-07 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.263 Å) | | Cite: | Crystal Structures of the Outer Membrane Domain of Intimin and Invasin from Enterohemorrhagic E. coli and Enteropathogenic Y. pseudotuberculosis.
Structure, 20, 2012
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4DZV
 | | Complex of 4-alpha/beta bound to gp41-5 | | Descriptor: | 4-alpha/beta, GLYCEROL, gp41-5 | | Authors: | Johnson, L.M, Mortenson, D.E, Yun, H.G, Horne, W.S, Ketas, T.J, Lu, M, Moore, J.P, Gellman, S.H. | | Deposit date: | 2012-03-01 | | Release date: | 2012-05-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Enhancement of alpha-helix mimicry by an alpha / beta-peptide foldamer via incorporation of a dense ionic side-chain array.
J.Am.Chem.Soc., 134, 2012
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