5U60
 
 | | CcP gateless cavity | | Descriptor: | (4E)-4-hydrazinylidene-1,4-dihydroquinoline, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | | Authors: | Fischer, M, Shoichet, B.K. | | Deposit date: | 2016-12-07 | | Release date: | 2017-02-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U68
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4Y26
 | | Complex of human Galectin-7 and Galbeta1-3(6OSO3)GlcNAc | | Descriptor: | Galectin-7, beta-D-galactopyranose-(1-3)-methyl 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranoside | | Authors: | Lin, H.Y, Hsieh, T.J, Lin, C.H. | | Deposit date: | 2015-02-09 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.611 Å) | | Cite: | Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range
To Be Published
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6AHY
 | | Wnt signaling complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Hirai, H, Arimori, T, Matoba, K, Mihara, E, Takagi, J. | | Deposit date: | 2018-08-21 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of a mammalian Wnt-frizzled complex.
Nat.Struct.Mol.Biol., 26, 2019
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5U72
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4Y2J
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2NBY
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4XXC
 | | HLA-B*1801 in complex with a self-peptide, DELEIKAY | | Descriptor: | ACETATE ION, ASP-GLU-LEU-GLU-ILE-LYS-ALA-TYR, Beta-2-microglobulin, ... | | Authors: | Hibbert, K.M, Rossjohn, J, Gras, S. | | Deposit date: | 2015-01-30 | | Release date: | 2015-04-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.426 Å) | | Cite: | T Cell Cross-Reactivity between a Highly Immunogenic EBV Epitope and a Self-Peptide Naturally Presented by HLA-B*18:01+ Cells.
J Immunol., 194, 2015
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6AB2
 | | Crystal structure of Methanosarcina mazei PylRS(Y306A/Y384F) complexed with oClZLys | | Descriptor: | (2S)-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid, 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Yanagisawa, T, Kuratani, M, Yokoyama, S. | | Deposit date: | 2018-07-19 | | Release date: | 2019-04-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural Basis for Genetic-Code Expansion with Bulky Lysine Derivatives by an Engineered Pyrrolysyl-tRNA Synthetase.
Cell Chem Biol, 26, 2019
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4XOT
 | | Tailspike protein mutant E372Q of E. coli bacteriophage HK620 in complex with pentasaccharide | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ... | | Authors: | Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S. | | Deposit date: | 2015-01-16 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
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5UCX
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2NOD
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND WATER BOUND IN ACTIVE CENTER | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1998-03-05 | | Release date: | 1999-03-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of nitric oxide synthase oxygenase dimer with pterin and substrate.
Science, 279, 1998
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2NQ5
 | | Crystal structure of methyltransferase from Streptococcus mutans | | Descriptor: | 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase | | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-10-30 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of methyltransferase from Streptococcus mutans
To be Published
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4Y2P
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5TPC
 | | Binding domain of BoNT/A complexed with ganglioside | | Descriptor: | Botulinum neurotoxin type A, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose | | Authors: | Berntsson, R.P.-A, Svensson, L.M, Stenmark, P. | | Deposit date: | 2016-10-20 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Glycans Confer Specificity to the Recognition of Ganglioside Receptors by Botulinum Neurotoxin A.
J. Am. Chem. Soc., 139, 2017
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4Y38
 | | Endothiapepsin in complex with fragment B29 | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-02-10 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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2N92
 | | Solution structure of cecropin P1 with LPS | | Descriptor: | Cecropin-P1 | | Authors: | Baek, M, Kamiya, M, Kushibiki, T, Nakazumi, T, Tomisawa, S, Abe, C, Kumaki, Y, Kikukawa, T, Demura, M, Kawano, K, Aizawa, T. | | Deposit date: | 2015-11-04 | | Release date: | 2016-11-09 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Lipopolysaccharide bound structure of antimicrobial peptide cecropin P1 by NMR spectroscopy
To be Published
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2NMB
 | | DNUMB PTB DOMAIN COMPLEXED WITH A PHOSPHOTYROSINE PEPTIDE, NMR, ENSEMBLE OF STRUCTURES. | | Descriptor: | PROTEIN (GPPY PEPTIDE), PROTEIN (NUMB PROTEIN) | | Authors: | Li, S.-C, Zwahlen, C, Vincent, S.J.F, McGlade, C.J, Pawson, T, Forman-Kay, J.D. | | Deposit date: | 1998-10-29 | | Release date: | 1998-11-04 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structure of a Numb PTB domain-peptide complex suggests a basis for diverse binding specificity.
Nat.Struct.Biol., 5, 1998
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4XLH
 | | Tailspike protein double mutant D339A/E372A of E. coli bacteriophage HK620 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ... | | Authors: | Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S. | | Deposit date: | 2015-01-13 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
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4XM1
 | | N,N'-diacetylchitobiose deacetylase from Pyrococcus furiosus in the presence of cadmium | | Descriptor: | CADMIUM ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Nakamura, T, Niiyama, M, Hashimoto, W, Ida, K, Uegaki, K. | | Deposit date: | 2015-01-14 | | Release date: | 2015-06-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Multiple crystal forms of N,N'-diacetylchitobiose deacetylase from Pyrococcus furiosus.
Acta Crystallogr.,Sect.F, 71, 2015
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4XRK
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5TS1
 | | Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YYQSGLSIV) | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Jiang, J, Natarajan, K, Margulies, D. | | Deposit date: | 2016-10-27 | | Release date: | 2018-05-09 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | MHC-restricted Ag85B-specific CD8+T cells are enhanced by recombinant BCG prime and DNA boost immunization in mice.
Eur.J.Immunol., 2019
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2NOY
 | | Crystal structure of transthyretin mutant I84S at PH 7.5 | | Descriptor: | Transthyretin | | Authors: | Pasquato, N, Berni, R, Folli, C, Alfieri, B, Cendron, L, Zanotti, G. | | Deposit date: | 2006-10-26 | | Release date: | 2007-01-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Acidic pH-induced conformational changes in amyloidogenic mutant transthyretin
J.Mol.Biol., 366, 2007
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6ALM
 | | VioC L-arginine hydroxylase bound to Fe(II), L-arginine, and 2-OXO-GLUTARIC ACID | | Descriptor: | 2-OXOGLUTARIC ACID, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ... | | Authors: | Dunham, N.P, Mitchell, A.J, Boal, A.K. | | Deposit date: | 2017-08-08 | | Release date: | 2017-09-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Visualizing the Reaction Cycle in an Iron(II)- and 2-(Oxo)-glutarate-Dependent Hydroxylase.
J. Am. Chem. Soc., 139, 2017
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5TSD
 | | Crystal structure of NADPH-dependent 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADPH and oxalate | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXALIC ACID, Probable hydroxyacid dehydrogenase protein | | Authors: | Matelska, D, Shabalin, I.G, Kutner, J, Handing, K.B, Gasiorowska, O.A, Cooper, D.R, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2016-10-28 | | Release date: | 2016-11-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of NADPH-dependent 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADPH and oxalate
to be published
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