3FHQ
 
 | | Structure of endo-beta-N-acetylglucosaminidase A | | Descriptor: | 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Endo-beta-N-acetylglucosaminidase, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose | | Authors: | Jie, Y, Li, L, Shaw, N, Li, Y, Song, J, Zhang, W, Xia, C, Zhang, R, Joachimiak, A, Zhang, H.-C, Wang, L.-X, Wang, P, Liu, Z.-J. | | Deposit date: | 2008-12-10 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.452 Å) | | Cite: | Structural basis and catalytic mechanism for the dual functional endo-beta-N-acetylglucosaminidase A
Plos One, 4, 2009
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7QK5
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7L14
 | | CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 26 | | Descriptor: | 2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}benzonitrile, 3C-like proteinase | | Authors: | Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2020-12-14 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
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5FR3
 | | X-ray crystal structure of aggregation-resistant protective antigen of Bacillus anthracis (mutant S559L T576E) | | Descriptor: | CALCIUM ION, GLYCEROL, PROTECTIVE ANTIGEN | | Authors: | Ganesan, A, Siekierska, A, Beerten, J, Brams, M, van Durme, J, De Baets, G, van der Kant, R, Gallardo, R, Ramakers, M, Langenberg, T, Wilkinson, H, De Smet, F, Ulens, C, Rousseau, F, Schymkowitz, J. | | Deposit date: | 2015-12-15 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.935 Å) | | Cite: | Structural Hot Spots for the Solubility of Globular Proteins
Nat.Commun., 7, 2016
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3FIJ
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3ADD
 | | Crystal structure of O-phosphoseryl-tRNA kinase complexed with selenocysteine tRNA and AMPPNP (crystal type 3) | | Descriptor: | L-seryl-tRNA(Sec) kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Itoh, Y, Chiba, S, Sekine, S, Yokoyama, S. | | Deposit date: | 2010-01-18 | | Release date: | 2010-07-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis for the Major Role of O-Phosphoseryl-tRNA Kinase in the UGA-Specific Encoding of Selenocysteine
Mol.Cell, 39, 2010
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2V6X
 | | Stractural insight into the interaction between ESCRT-III and Vps4 | | Descriptor: | DOA4-INDEPENDENT DEGRADATION PROTEIN 4, SULFATE ION, VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 4 | | Authors: | Obita, T, Perisic, O, Ghazi-Tabatabai, S, Saksena, S, Emr, S.D, Williams, R.L. | | Deposit date: | 2007-07-23 | | Release date: | 2007-10-16 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural Basis for Selective Recognition of Escrt-III by the Aaa ATPase Vps4
Nature, 449, 2007
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7QJY
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4HNT
 | | crystal structure of F403A mutant of S. aureus Pyruvate carboxylase | | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Yu, L.P.C, Tong, L. | | Deposit date: | 2012-10-21 | | Release date: | 2013-01-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Characterizing the Importance of the Biotin Carboxylase Domain Dimer for Staphylococcus aureus Pyruvate Carboxylase Catalysis.
Biochemistry, 52, 2013
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1OGB
 | | Chitinase b from Serratia marcescens mutant D142N | | Descriptor: | CHITINASE B, GLYCEROL, SULFATE ION | | Authors: | Vaaje-Kolstad, G, Houston, D.R, Rao, F.V, Peter, M.G, Synstad, B, van Aalten, D.M.F, Eijsink, V.G.H. | | Deposit date: | 2003-04-29 | | Release date: | 2004-04-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of the D142N Mutant of the Family 18 Chitinase Chib from Serratia Marcescens and its Complex with Allosamidin
Biochim.Biophys.Acta, 1696, 2004
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7QKX
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3F18
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7QKU
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7QJZ
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4HPX
 | | Crystal structure of Tryptophan Synthase at 1.65 A resolution in complex with alpha aminoacrylate E(A-A) and benzimidazole in the beta site and the F9 inhibitor in the alpha site | | Descriptor: | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BENZIMIDAZOLE, ... | | Authors: | Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2012-10-24 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
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2ZYQ
 | | Crystal structure of the HsaC extradiol dioxygenase from M. tuberculosis | | Descriptor: | D(-)-TARTARIC ACID, FE (II) ION, PROBABLE BIPHENYL-2,3-DIOL 1,2-DIOXYGENASE BPHC | | Authors: | D'Angelo, I, Yam, K.C, Eltis, L.D, Strynadka, N. | | Deposit date: | 2009-01-28 | | Release date: | 2009-03-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Studies of a ring-cleaving dioxygenase illuminate the role of cholesterol metabolism in the pathogenesis of Mycobacterium tuberculosis.
Plos Pathog., 5, 2009
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7QKY
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7QKV
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1OGT
 | | CRYSTAL STRUCTURE OF HLA-B*2705 COMPLEXED WITH THE VASOACTIVE INTESTINAL PEPTIDE TYPE 1 RECEPTOR (VIPR) PEPTIDE (RESIDUES 400-408) | | Descriptor: | BETA-2-MICROGLOBULIN, GLYCEROL, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Hulsmeyer, M, Fiorillo, M.T, Bettosini, F, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | | Deposit date: | 2003-05-13 | | Release date: | 2004-01-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Dual, HLA-B27 subtype-dependent conformation of a self-peptide.
J. Exp. Med., 199, 2004
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5FYZ
 | | Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 2-(2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile (N10063a) | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, LYSINE-SPECIFIC DEMETHYLASE 5B, ... | | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | Deposit date: | 2016-03-10 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N10063A
To be Published
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3F2E
 | | Crystal structure of Yellowstone SIRV coat protein C-terminus | | Descriptor: | CITRIC ACID, SIRV coat protein | | Authors: | Taurog, R.E, Szymczyna, B.R, Williamson, J.R, Johnson, J.E. | | Deposit date: | 2008-10-29 | | Release date: | 2009-04-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.668 Å) | | Cite: | Synergy of NMR, computation, and X-ray crystallography for structural biology.
Structure, 17, 2009
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1OGX
 | | High Resolution Crystal Structure Of Ketosteroid Isomerase Mutant D40N(D38N, Ti Numbering) from Pseudomonas putida Complexed With Equilenin At 2.0 A Resolution. | | Descriptor: | EQUILENIN, STEROID DELTA-ISOMERASE | | Authors: | Ha, N.-C, Kim, M.-S, Oh, B.-H. | | Deposit date: | 2003-05-17 | | Release date: | 2003-05-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Detection of Large Pka Perturbation of an Inhibitor and a Catalytic Group at an Enzyme Active Site, a Mechanistic Basis for Catalytic Power of Many Enzymes
J.Biol.Chem., 275, 2000
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7L13
 | | CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 21 | | Descriptor: | (5S)-5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo[2H-[1,3'-bipyridine]]-5-yl)pyrimidine-2,4(3H,5H)-dione, 3C-like proteinase | | Authors: | Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2020-12-14 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
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5C9J
 | | Human CD1c with ligands in A' and F' channel | | Descriptor: | Beta-2-microglobulin, GLYCEROL, LAURIC ACID, ... | | Authors: | Tews, I, Machelett, M.M, Mansour, S, Gadola, S.D. | | Deposit date: | 2015-06-27 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Cholesteryl esters stabilize human CD1c conformations for recognition by self-reactive T cells.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4MJS
 | | crystal structure of a PB1 complex | | Descriptor: | 1,2-ETHANEDIOL, Protein kinase C zeta type, Sequestosome-1 | | Authors: | Ren, J, Wang, Z.X, Wu, J.W. | | Deposit date: | 2013-09-04 | | Release date: | 2014-08-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and biochemical insights into the homotypic PB1-PB1 complex between PKC zeta and p62
Sci China Life Sci, 57, 2014
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