4GON
 
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3DSW
 | | Crystal structure of RabGGTase(DELTA LRR; DELTA IG)in complex with mono-prenylated peptide Ser-Cys(GG)-Ser-Cys derivated from Rab7 | | Descriptor: | CALCIUM ION, GERAN-8-YL GERAN, Geranylgeranyl transferase type-2 subunit alpha, ... | | Authors: | Guo, Z, Yu, S, Goody, R.S, Alexandrov, K, Blankenfeldt, W. | | Deposit date: | 2008-07-14 | | Release date: | 2008-09-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structures of RabGGTase-substrate/product complexes provide insights into the evolution of protein prenylation
Embo J., 27, 2008
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8V8U
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 12). | | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, (3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Gunn, R.J, Lawson, J.D. | | Deposit date: | 2023-12-06 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
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4H9T
 | | Structure of Geobacillus kaustophilus lactonase, mutant E101N with bound N-butyryl-DL-homoserine lactone | | Descriptor: | FE (III) ION, MANGANESE (II) ION, N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, ... | | Authors: | Xue, B, Chow, J.Y, Yew, W.S, Robinson, R.C. | | Deposit date: | 2012-09-24 | | Release date: | 2012-11-07 | | Last modified: | 2013-05-22 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Structural evidence of a productive active site architecture for an evolved quorum-quenching GKL lactonase.
Biochemistry, 52, 2013
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3E08
 | | H55S mutant Xanthomonas campestris tryptophan 2,3-dioxygenase | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, Tryptophan 2,3-dioxygenase | | Authors: | Mowat, C.G, Campbell, L.P. | | Deposit date: | 2008-07-31 | | Release date: | 2008-09-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Histidine 55 of tryptophan 2,3-dioxygenase is not an active site base but regulates catalysis by controlling substrate binding
Biochemistry, 47, 2008
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5GAI
 | | Probabilistic Structural Models of Mature P22 Bacteriophage Portal, Hub, and Tailspike proteins | | Descriptor: | Peptidoglycan hydrolase gp4, Portal protein, Tail fiber protein | | Authors: | Pintilie, G, Chen, D.H, Haase-Pettingell, C.A, King, J.A, Chiu, W. | | Deposit date: | 2015-12-01 | | Release date: | 2016-02-17 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (10.5 Å) | | Cite: | Resolution and Probabilistic Models of Components in CryoEM Maps of Mature P22 Bacteriophage.
Biophys.J., 110, 2016
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5CMQ
 | | Crystal Structure of Zn-bound Human H-Ferritin variant 122H-delta C-star | | Descriptor: | Ferritin heavy chain, ZINC ION | | Authors: | Sontz, P.A, Bailey, J.B, Ahn, S, Tezcan, F.A. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.935 Å) | | Cite: | A Metal Organic Framework with Spherical Protein Nodes: Rational Chemical Design of 3D Protein Crystals.
J.Am.Chem.Soc., 137, 2015
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8UFT
 | | Structure of human endothelial nitric oxide synthase P370N mutant heme domain in complex with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine | | Descriptor: | (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2023-10-04 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
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2YO1
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4MW6
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1476) | | Descriptor: | 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.558 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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5C9I
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2BVO
 | | Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs Potentially Associated with Long-Term Non-Progression | | Descriptor: | BETA-2-MICROGLOBULIN, GAG PROTEIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Stewart-Jones, G.B, Gillespie, G, Overton, I.M, Kaul, R, Roche, P, Mcmichael, A.J, Rowland-Jones, S, Jones, E.Y. | | Deposit date: | 2005-07-01 | | Release date: | 2005-09-13 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structures of three HIV-1 HLA-B*5703-peptide complexes and identification of related HLAs potentially associated with long-term nonprogression.
J Immunol., 175, 2005
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4GQ7
 | | Crystal structure of Lg-Flo1p | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Flocculin | | Authors: | Sim, L, Groes, M, Olesen, K, Henriksen, A. | | Deposit date: | 2012-08-22 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structural and biochemical characterization of the N-terminal domain of flocculin Lg-Flo1p from Saccharomyces pastorianus reveals a unique specificity for phosphorylated mannose.
Febs J., 280, 2013
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7QIJ
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8UPV
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 33 | | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | Deposit date: | 2023-10-23 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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2Y6T
 | | Molecular Recognition of Chymotrypsin by the Serine Protease Inhibitor Ecotin from Yersinia pestis | | Descriptor: | CHYMOTRYPSINOGEN A, ECOTIN, SULFATE ION | | Authors: | Clark, E.A, Walker, N, Ford, D.C, Cooper, I.A, Oyston, P.C.F, Acharya, K.R. | | Deposit date: | 2011-01-26 | | Release date: | 2011-04-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Molecular Recognition of Chymotrypsin by the Serine Protease Inhibitor Ecotin from Yersinia Pestis.
J.Biol.Chem., 286, 2011
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7QIH
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4N8C
 | | Three-dimensional structure of the extracellular domain of Matrix protein 2 of influenza A virus | | Descriptor: | Extracellular domain of influenza Matrix protein 2, Heavy chain of monoclonal antibody, Light chain of monoclonal antibody | | Authors: | Cho, K.J, Seok, J.H, Kim, S, Roose, K, Schepens, B, Fiers, W, Saelens, X, Kim, K.H. | | Deposit date: | 2013-10-17 | | Release date: | 2014-10-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of the extracellular domain of matrix protein 2 of influenza A virus in complex with a protective monoclonal antibody
J.Virol., 89, 2015
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2BYP
 | | Crystal structure of Aplysia californica AChBP in complex with alpha- conotoxin ImI | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-CONOTOXIN IMI, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Hansen, S.B, Sulzenbacher, G, Huxford, T, Marchot, P, Taylor, P, Bourne, Y. | | Deposit date: | 2005-08-03 | | Release date: | 2005-10-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structures of Aplysia Achbp Complexes with Nicotinic Agonists and Antagonists Reveal Distinctive Binding Interfaces and Conformations.
Embo J., 24, 2005
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4MYE
 | | Cymosema roseum seed lectin structure complexed with X-man | | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Cymbosema roseum mannose-specific lectin, ... | | Authors: | Barroso-Neto, I.L, Rocha, B.A.M, Teixeira, C.S, Santiago, M.Q, Souza, L.A.G, Pires, A.F, Assreuy, A.M.S, Delatorre, P, Cavada, B.S. | | Deposit date: | 2013-09-27 | | Release date: | 2014-10-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Cymosema roseum seed lectin structure complexed with X-man
To be Published
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4N8U
 | | Two-Domain Laccase from Streptomyces viridochromogenes at 2.4 A resolution AC629 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, COPPER (II) ION, ... | | Authors: | Gabdulkhakov, A, Tischenko, S, Yurevich, L, Lisov, A, Leontievsky, A. | | Deposit date: | 2013-10-18 | | Release date: | 2014-10-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Two-Domain Laccase from Streptomyces viridochromogenes at 2.4 A resolution AC629
To be Published
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5G6M
 | | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((3-Aminomethyl)phenoxy)methyl)quinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine, CHLORIDE ION, ... | | Authors: | Holden, J.K, Poulos, T.L. | | Deposit date: | 2016-06-18 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
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2C0F
 | | Structure of Wind Y53F mutant | | Descriptor: | WINDBEUTEL PROTEIN | | Authors: | Sevvana, M, Ma, Q, Barnewitz, K, Guo, C, Soling, H.-D, Ferrari, D.M, Sheldrick, G.M. | | Deposit date: | 2005-09-02 | | Release date: | 2006-08-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural Elucidation of the Pdi-Related Chaperone Wind with the Help of Mutants.
Acta Crystallogr.,Sect.D, 62, 2006
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2VOR
 | | Crystal Structures of Mycobacterium tuberculosis Folylpolyglutamate Synthase Complexed with ADP and AMPPCP | | Descriptor: | COBALT (II) ION, FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC, GLYCEROL, ... | | Authors: | Young, P.G, Baker, E.N, Metcalf, P, Smith, C.A. | | Deposit date: | 2008-02-19 | | Release date: | 2008-07-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of Mycobacterium Tuberculosisfolylpolyglutamate Synthase Complexed with Adp and Amppcp.
Acta Crystallogr.,Sect.D, 64, 2008
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2YBH
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