7RL8
 
 | | Crystal Structure of C79A Mutant of Class D beta-lactamase from Clostridium difficile 630 | | Descriptor: | Beta-lactamase, DI(HYDROXYETHYL)ETHER, SULFATE ION | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Rosas-Lemus, M, Jedrzejczak, R, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-07-23 | | Release date: | 2021-08-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of C79A Mutant of Class D beta-lactamase from Clostridium difficile 630
To Be Published
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1W5W
 | | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | | Descriptor: | (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN | | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | | Deposit date: | 2004-08-10 | | Release date: | 2004-12-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
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1VYW
 | | Structure of CDK2/Cyclin A with PNU-292137 | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDE, ... | | Authors: | Pevarello, P, Brasca, M.G, Amici, R, Orsini, P, Traquandi, G, Corti, L, Piutti, C, Sansonna, P, Villa, M, Pierce, B.S, Pulici, M, Giordano, P, Martina, K, Fritzen, E.L, Nugent, R.A, Casale, E, Cameron, A, Ciomei, M, Roletto, F, Isacchi, A, Fogliatto, G, Pesenti, E, Pastori, W, Marsiglio, A, Leach, K.L, Clare, P.M, Fiorentini, F, Varasi, M, Vulpetti, A, Warpehoski, M.A. | | Deposit date: | 2004-05-07 | | Release date: | 2004-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. Part 1. Lead Finding
J.Med.Chem., 47, 2004
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5LT0
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1W93
 | | Crystal Structure of Biotin Carboxylase Domain of Acetyl-Coenzyme A Carboxylase from Saccharomyces cerevisiae | | Descriptor: | ACETYL-COENZYME A CARBOXYLASE | | Authors: | Shen, Y, Volrath, S.L, Weatherly, S.C, Elich, T.D, Tong, L. | | Deposit date: | 2004-10-05 | | Release date: | 2005-01-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Mechanism for the Potent Inhibition of Eukaryotic Acetyl-Coenzyme a Carboxylase by Soraphen A, a Macrocyclic Polyketide Natural Product
Mol.Cell, 16, 2004
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7REF
 | | Structure of MS3494 from Mycobacterium smegmatis | | Descriptor: | BROMIDE ION, MS3494 | | Authors: | Kent, J.E, Aleshin, A.E, Zhang, L, Niederweis, M, Marassi, F.M. | | Deposit date: | 2021-07-12 | | Release date: | 2021-08-18 | | Last modified: | 2022-06-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A periplasmic cinched protein is required for siderophore secretion and virulence of Mycobacterium tuberculosis.
Nat Commun, 13, 2022
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7RBQ
 | | Co-crystal structure of human PRMT9 in complex with MT556 inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9, ... | | Authors: | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-07-06 | | Release date: | 2021-08-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Co-crystal structure of human PRMT9 in complex with MT556 inhibitor
To Be Published
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5X5V
 | | Crystal structure of pseudorabies virus glycoprotein D | | Descriptor: | GD | | Authors: | Li, A, Lu, G, Qi, J, Wu, L, Tian, K, Luo, T, Shi, Y, Yan, J, Gao, G.F. | | Deposit date: | 2017-02-17 | | Release date: | 2017-04-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of pseudorabies virus glycoprotein D
To Be Published
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1W96
 | | Crystal Structure of Biotin Carboxylase Domain of Acetyl-coenzyme A Carboxylase from Saccharomyces cerevisiae in Complex with Soraphen A | | Descriptor: | ACETYL-COENZYME A CARBOXYLASE, SORAPHEN A | | Authors: | Shen, Y, Volrath, S.L, Weatherly, S.C, Elich, T.D, Tong, L. | | Deposit date: | 2004-10-06 | | Release date: | 2005-01-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Mechanism for the Potent Inhibition of Eukaryotic Acetyl-Coenzyme a Carboxylase by Soraphen A, a Macrocyclic Polyketide Natural Product
Mol.Cell, 16, 2004
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5LVC
 | | Aichi virus 1: empty particle | | Descriptor: | VP0, VP1, VP3 | | Authors: | Sabin, C, Fuzik, T, Skubnik, K, Palkova, L, Lindberg, A.M, Plevka, P. | | Deposit date: | 2016-09-13 | | Release date: | 2016-12-14 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structure of Aichi Virus 1 and Its Empty Particle: Clues to Kobuvirus Genome Release Mechanism.
J.Virol., 90, 2016
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5AN5
 | | B. subtilis GpsB C-terminal Domain | | Descriptor: | CELL CYCLE PROTEIN GPSB, GLYCEROL | | Authors: | Rismondo, J, Cleverley, R.M, Lane, H.V, Grohennig, S, Steglich, A, Moller, L, Krishna Mannala, G, Hain, T, Lewis, R.J, Halbedel, S. | | Deposit date: | 2015-09-04 | | Release date: | 2015-11-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of the Bacterial Cell Division Determinant Gpsb and its Interaction with Penicillin Binding Proteins.
Mol.Microbiol., 99, 2016
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5XBM
 | | Structure of SCARB2-JL2 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, Lysosome membrane protein 2, ... | | Authors: | Zhang, X, Yang, P, Wang, N, Zhang, J, Li, J, Guo, H, Yin, X, Rao, Z, Wang, X, Zhang, L. | | Deposit date: | 2017-03-20 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.501 Å) | | Cite: | The binding of a monoclonal antibody to the apical region of SCARB2 blocks EV71 infection.
Protein Cell, 8, 2017
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6FWL
 | | Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex alpha-Glc-1,3-(1,2-anhydro-carba-mannose) | | Descriptor: | (1~{S},2~{S},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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7RSI
 | | The cryo-EM map of KIF18A bound to KIFBP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, KIF-binding protein, Kinesin-like protein KIF18A, ... | | Authors: | Tan, Z, Solon, A.L, Schutt, K.L, Jepsen, L, Haynes, S.E, Nesvizhskii, A.I, Sept, D, Stumpff, J, Ohi, R, Cianfrocco, M.A. | | Deposit date: | 2021-08-11 | | Release date: | 2021-09-08 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Kinesin-binding protein remodels the kinesin motor to prevent microtubule binding.
Sci Adv, 7, 2021
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5LOF
 | | Crystal structure of the MBP-MCL1 complex with highly selective and potent inhibitor of MCL1 | | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Dokurno, P, Kotschy, A, Szlavik, Z, Murray, J, Davidson, J, Csekei, M, Paczal, A, Szabo, Z, Sipos, S, Radics, G, Proszenyak, A, Balint, B, Ondi, L, Blasko, G, Robertson, A, Surgenor, A, Chen, I, Matassova, N, Smith, J, Pedder, C, Graham, C, Geneste, O. | | Deposit date: | 2016-08-09 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models.
Nature, 538, 2016
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6FWP
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-1,3-mannobiose and alpha-1,2-mannobiose | | Descriptor: | ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ... | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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5LOM
 | | Crystal structure of the PBP SocA from Agrobacterium tumefaciens C58 in complex with DFG at 1.5 A resolution | | Descriptor: | 1,2-ETHANEDIOL, Deoxyfructosyl-amino Acid Transporter Periplasmic Binding Protein, Deoxyfructosylglutamine | | Authors: | Marty, L, Vigouroux, A, Morera, S. | | Deposit date: | 2016-08-09 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Basis for High Specificity of Amadori Compound and Mannopine Opine Binding in Bacterial Pathogens.
J.Biol.Chem., 291, 2016
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1XY8
 | | NMR strcutre of sst1-selective somatostatin (SRIF) analog 1 | | Descriptor: | SST1-selective somatosatin analog | | Authors: | Grace, C.R.R, Durrer, L, Koerber, S.C, Erchegyi, J, Reubi, J.C, Rivier, J.E, Riek, R. | | Deposit date: | 2004-11-09 | | Release date: | 2005-02-15 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Somatostatin receptor 1 selective analogues: 4. Three-dimensional consensus structure by NMR
J.Med.Chem., 48, 2005
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5B0I
 | | Structure of MoeN5-Sso7d fusion protein in complex with beta-octyl glucoside | | Descriptor: | MoeN5,DNA-binding protein 7d, octyl beta-D-glucopyranoside | | Authors: | Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O. | | Deposit date: | 2015-10-30 | | Release date: | 2016-03-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5.
Angew.Chem.Int.Ed.Engl., 55, 2016
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7RSQ
 | | Cryo-EM structure of KIFBP core | | Descriptor: | KIF-binding protein | | Authors: | Solon, A.L, Tan, Z, Schutt, K.L, Jepsen, L, Haynes, S.E, Nesvizhskii, A.I, Sept, D, Stumpff, J, Ohi, R, Cianfrocco, M.A. | | Deposit date: | 2021-08-11 | | Release date: | 2021-09-08 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Kinesin-binding protein remodels the kinesin motor to prevent microtubule binding.
Sci Adv, 7, 2021
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1XYU
 | | Solution structure of the sheep prion protein with polymorphism H168 | | Descriptor: | Major prion protein | | Authors: | Calzolai, L, Lysek, D.A, Guntert, P, Wuthrich, K. | | Deposit date: | 2004-11-11 | | Release date: | 2005-01-04 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Prion protein NMR structures of cats, dogs, pigs, and sheep
Proc.Natl.Acad.Sci.USA, 102, 2005
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1NXK
 | | Crystal structure of staurosporine bound to MAP KAP kinase 2 | | Descriptor: | MAP kinase-activated protein kinase 2, STAUROSPORINE, SULFATE ION | | Authors: | Underwood, K.W, Parris, K.D, Federico, E, Mosyak, L, Czerwinski, R.M, Shane, T, Taylor, M, Svenson, K, Liu, Y, Hsiao, C.L, Wolfrom, S, Malakian, K, Telliez, J.B, Lin, L.L, Kriz, R.W, Seehra, J, Somers, W.S, Stahl, M.L. | | Deposit date: | 2003-02-10 | | Release date: | 2003-10-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Catalytically active MAP KAP kinase 2 structures in complex with staurosporine and ADP reveal differences with the autoinhibited enzyme
Structure, 11, 2003
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6G5J
 | | Secreted phospholipase A2 type X in complex with ligand | | Descriptor: | (3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sandmark, J, Oster, L. | | Deposit date: | 2018-03-29 | | Release date: | 2018-09-05 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design of Selective sPLA2-X Inhibitor (-)-2-{2-[Carbamoyl-6-(trifluoromethoxy)-1H-indol-1-yl]pyridine-2-yl}propanoic Acid.
ACS Med Chem Lett, 9, 2018
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5XKC
 | | Crystal structure of dibenzothiophene sulfone monooxygenase BdsA at 2.2 angstrome | | Descriptor: | Dibenzothiophene desulfurization enzyme A | | Authors: | Gu, L, Su, T, Liu, S, Su, J. | | Deposit date: | 2017-05-07 | | Release date: | 2018-05-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.209 Å) | | Cite: | Structural and Biochemical Characterization of BdsA fromBacillus subtilisWU-S2B, a Key Enzyme in the "4S" Desulfurization Pathway.
Front Microbiol, 9, 2018
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1X7F
 | | Crystal structure of an uncharacterized B. cereus protein | | Descriptor: | outer surface protein | | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Collart, F.R, Anderson, W.F, MCSG, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-08-13 | | Release date: | 2004-08-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of an uncharacterized B. cereus protein
To be Published
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