3SMB
 
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3SME
 | | Structure of PTP1B inactivated by H2O2/bicarbonate | | Descriptor: | MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Tanner, J.J, Singh, H. | | Deposit date: | 2011-06-27 | | Release date: | 2011-10-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Biological Buffer Bicarbonate/CO(2) Potentiates H(2)O(2)-Mediated Inactivation of Protein Tyrosine Phosphatases.
J.Am.Chem.Soc., 133, 2011
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3SMZ
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3SK9
 | | Crystal structure of the Thermus thermophilus cas3 HD domain | | Descriptor: | Putative uncharacterized protein TTHB187 | | Authors: | Bailey, S, Mulepati, S. | | Deposit date: | 2011-06-22 | | Release date: | 2011-07-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Biochemical Analysis of Nuclease Domain of Clustered Regularly Interspaced Short Palindromic Repeat (CRISPR)-associated Protein 3 (Cas3).
J.Biol.Chem., 286, 2011
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3SNO
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3SO6
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3S9T
 | | Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide | | Descriptor: | 2-chloro-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | Authors: | Grazulis, S, Manakova, E, Tamulaitiene, G. | | Deposit date: | 2011-06-02 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
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3SA2
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3SAA
 | | Crystal structure of Wild-type HIV-1 protease in complex With AF77 | | Descriptor: | N-[(2S,3R)-4-{(cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide, PHOSPHATE ION, Protease | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2011-06-02 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
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3SB6
 | | Cu-mediated Dimer of T4 Lysozyme D61H/K65H/R76H/R80H by Synthetic Symmetrization | | Descriptor: | CHLORIDE ION, COPPER (II) ION, Lysozyme | | Authors: | Soriaga, A.B, Laganowsky, A, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O. | | Deposit date: | 2011-06-03 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
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3S92
 | | Crystal Structure of the second bromodomain of human BRD3 in complex with the inhibitor JQ1 | | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain-containing protein 3 | | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-05-31 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Crystal Structure of the second bromodomain of human BRD3 in complex with the inhibitor JQ1
To be Published
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3SB4
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3SEO
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3SGP
 | | Amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-crystallin B chain | | Authors: | Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D. | | Deposit date: | 2011-06-15 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4016 Å) | | Cite: | Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
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3SGW
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3SHL
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V74KL25A at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Sue, G, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | | Deposit date: | 2011-06-16 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Redirection of internal ionizable residues by engineered cavities
To be Published
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3SKD
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3SJV
 | | Crystal structure of the RL42 TCR in complex with HLA-B8-FLR | | Descriptor: | Beta-2-microglobulin, Epstein-Barr nuclear antigen 3, HLA class I histocompatibility antigen, ... | | Authors: | Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J. | | Deposit date: | 2011-06-22 | | Release date: | 2012-02-29 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
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7N55
 | | The crystal structure of the mutant I38T PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988514 | | Descriptor: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | | Authors: | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | | Deposit date: | 2021-06-04 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
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7N8F
 | | The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988288 | | Descriptor: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ... | | Authors: | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | | Deposit date: | 2021-06-14 | | Release date: | 2022-06-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
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3JYF
 | | The crystal structure of a 2,3-cyclic nucleotide 2-phosphodiesterase/3-nucleotidase bifunctional periplasmic precursor protein from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 | | Descriptor: | 2',3'-cyclic nucleotide 2'-phosphodiesterase/3'-nucleotidase bifunctional periplasmic protein, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Fan, Y, Volkart, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-09-21 | | Release date: | 2009-09-29 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | The crystal structure of a 2,3-cyclic nucleotide 2-phosphodiesterase/3-nucleotidase bifunctional periplasmic precursor protein from Klebsiella pneumoniae subsp. pneumoniae MGH 78578
To be Published
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7N18
 | | Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by a Chiral Hydroxamic Acid | | Descriptor: | (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, (3S)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, Botulinum neurotoxin type A, ... | | Authors: | Silvaggi, N.R, Allen, K.N. | | Deposit date: | 2021-05-27 | | Release date: | 2022-07-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease.
Acs Med.Chem.Lett., 12, 2021
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7MQK
 | | AAC(3)-IIIa in complex with CoA and sisomicin | | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, Aminoglycoside N(3)-acetyltransferase III, COENZYME A, ... | | Authors: | Zielinski, M, Berghuis, A.M. | | Deposit date: | 2021-05-05 | | Release date: | 2022-07-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural elucidation of substrate-bound aminoglycoside acetyltransferase (3)-IIIa.
Plos One, 17, 2022
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7MQL
 | | AAC(3)-IIIa in complex with CoA and neomycin | | Descriptor: | Aminoglycoside N(3)-acetyltransferase III, COENZYME A, FORMIC ACID, ... | | Authors: | Zielinski, M, Berghuis, A.M. | | Deposit date: | 2021-05-05 | | Release date: | 2022-07-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural elucidation of substrate-bound aminoglycoside acetyltransferase (3)-IIIa.
Plos One, 17, 2022
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7MXO
 | | CryoEM structure of human NKCC1 | | Descriptor: | CHLORIDE ION, POTASSIUM ION, Solute carrier family 12 member 2 | | Authors: | Moseng, M.A. | | Deposit date: | 2021-05-19 | | Release date: | 2022-09-28 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Inhibition mechanism of NKCC1 involves the carboxyl terminus and long-range conformational coupling.
Sci Adv, 8, 2022
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