8VI2
 
 | | TehA from Haemophilus influenzae purified in DDM | | Descriptor: | Tellurite resistance protein TehA homolog | | Authors: | Catalano, C, Senko, S, Tran, N.L, Lucier, K.W, Farwell, A.C, Silva, M.S, Dip, P.V, Poweleit, N, Scapin, G. | | Deposit date: | 2024-01-03 | | Release date: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | High-Resolution Cryo-Electron Microscopy Structure Determination of Haemophilus influenzae Tellurite-Resistance Protein A via 200 kV Transmission Electron Microscopy.
Int J Mol Sci, 25, 2024
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6ADQ
 | | Respiratory Complex CIII2CIV2SOD2 from Mycobacterium smegmatis | | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | | Authors: | Gong, H.R, Xu, A, Gao, R.G, Ji, W.X, Wang, S.H, Wang, Q, Li, J, Rao, Z.H. | | Deposit date: | 2018-08-01 | | Release date: | 2018-11-14 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | An electron transfer path connects subunits of a mycobacterial respiratory supercomplex.
Science, 362, 2018
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4XCO
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8ECD
 | | E. coli L-asparaginase II mutant (V27T) in complex with L-Asp | | Descriptor: | 1,2-ETHANEDIOL, ASPARTIC ACID, CITRIC ACID, ... | | Authors: | Strzelczyk, P, Wlodawer, A, Lubkowski, J. | | Deposit date: | 2022-09-01 | | Release date: | 2022-11-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | The E. coli L-asparaginase V27T mutant: structural and functional characterization and comparison with theoretical predictions.
Febs Lett., 596, 2022
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6E8Z
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3LDN
 | | Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in apo form | | Descriptor: | 78 kDa glucose-regulated protein | | Authors: | Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S. | | Deposit date: | 2010-01-13 | | Release date: | 2011-01-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity.
J.Med.Chem., 54, 2011
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5F6M
 | | Isotropic Trypsin Model for Comparison of Diffuse Scattering | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Van Benschoten, A.H, Wall, M.E, Fraser, J.S. | | Deposit date: | 2015-12-06 | | Release date: | 2016-01-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Measuring and modeling diffuse scattering in protein X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 113, 2016
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8R5J
 | | Crystal structure of MERS-CoV main protease | | Descriptor: | Non-structural protein 11 | | Authors: | Balcomb, B.H, Fairhead, M, Koekemoer, L, Lithgo, R.M, Aschenbrenner, J.C, Chandran, A.V, Godoy, A.S, Lukacik, P, Marples, P.G, Mazzorana, M, Ni, X, Strain-Damerell, C, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-11-16 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Crystal structure of MERS-CoV main protease
To Be Published
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5F01
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (1SR,2SR)-2-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-N-(3-chloroquinolin-8-yl)cyclopropanecarboxamide | | Descriptor: | (1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide, ACETATE ION, Beta-secretase 1, ... | | Authors: | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | Deposit date: | 2015-11-27 | | Release date: | 2016-02-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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8Q71
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GC-67 | | Descriptor: | (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Strater, N, Muller, C.E, Sylvester, K, Weisse, R.H, Useini, A, Gao, S, Song, L, Liu, Z, Zhan, P. | | Deposit date: | 2023-08-15 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.322 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Trisubstituted Piperazine Derivatives as Noncovalent Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors with Improved Antiviral Activity and Favorable Druggability.
J.Med.Chem., 66, 2023
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6EAQ
 | | Glycosylated FCGR3B / CD16b in complex with afucosylated IgG1 Fc | | Descriptor: | Immunoglobulin gamma-1 heavy chain, Low affinity immunoglobulin gamma Fc region receptor III-B, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Roberts, J.T, Barb, A.W. | | Deposit date: | 2018-08-03 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | A single amino acid distorts the Fc gamma receptor IIIb/CD16b structure upon binding immunoglobulin G1 and reduces affinity relative to CD16a.
J. Biol. Chem., 293, 2018
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1A4G
 | | INFLUENZA VIRUS B/BEIJING/1/87 NEURAMINIDASE COMPLEXED WITH ZANAMIVIR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE, ... | | Authors: | Cleasby, A, Singh, O, Skarzynski, T, Wonacott, A.J. | | Deposit date: | 1998-01-29 | | Release date: | 1999-03-02 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B.
J.Med.Chem., 41, 1998
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3LDQ
 | | Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor | | Descriptor: | 8-[(quinolin-2-ylmethyl)amino]adenosine, BAG family molecular chaperone regulator 1, Heat shock cognate 71 kDa protein | | Authors: | Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S. | | Deposit date: | 2010-01-13 | | Release date: | 2011-01-26 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity.
J.Med.Chem., 54, 2011
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5XIA
 | | STRUCTURES OF D-XYLOSE ISOMERASE FROM ARTHROBACTER STRAIN B3728 CONTAINING THE INHIBITORS XYLITOL AND D-SORBITOL AT 2.5 ANGSTROMS AND 2.3 ANGSTROMS RESOLUTION, RESPECTIVELY | | Descriptor: | D-XYLOSE ISOMERASE, MAGNESIUM ION, Xylitol | | Authors: | Henrick, K, Collyer, C.A, Blow, D.M. | | Deposit date: | 1989-07-05 | | Release date: | 1990-04-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of D-xylose isomerase from Arthrobacter strain B3728 containing the inhibitors xylitol and D-sorbitol at 2.5 A and 2.3 A resolution, respectively.
J.Mol.Biol., 208, 1989
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127D
 | | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') COMPLEXED WITH HOECHST 33258 | | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Sriram, M, Van Der Marel, G.A, Roelen, H.L.P.F, Van Boom, J.H, Wang, A.H.-J. | | Deposit date: | 1993-06-30 | | Release date: | 1994-01-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformation of B-DNA containing O6-ethyl-G-C base pairs stabilized by minor groove binding drugs: molecular structure of d(CGC[e6G]AATTCGCG complexed with Hoechst 33258 or Hoechst 33342.
EMBO J., 11, 1992
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6XCQ
 | | Erythromycin esterase EreC, mutant H289N in its closed conformation | | Descriptor: | EreC, S-1,2-PROPANEDIOL | | Authors: | Zielinski, M, Park, J, Berghuis, A.M. | | Deposit date: | 2020-06-09 | | Release date: | 2021-02-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and functional insights into esterase-mediated macrolide resistance.
Nat Commun, 12, 2021
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5BP2
 | | Dehydratase domain (DH) of a mycocerosic acid synthase-like (MAS-like) PKS, crystal form 1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Herbst, D.A, Jakob, P.R, Zaehringer, F, Maier, T. | | Deposit date: | 2015-05-27 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Mycocerosic acid synthase exemplifies the architecture of reducing polyketide synthases.
Nature, 531, 2016
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5XL0
 | | met-aquo form of sperm whale myoglobin reconstituted with 7-PF, a heme possesseing CF3 group as side chain | | Descriptor: | Myoglobin, SULFATE ION, fluorinated heme | | Authors: | Kanai, Y, Harada, A, Shibata, T, Nishimura, R, Namiki, K, Watanabe, M, Nakamura, S, Yumoto, F, Senda, T, Suzuki, A, Neya, S, Yamamoto, Y. | | Deposit date: | 2017-05-10 | | Release date: | 2017-08-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Characterization of Heme Orientational Disorder in a Myoglobin Reconstituted with a Trifluoromethyl-Group-Substituted Heme Cofactor
Biochemistry, 56, 2017
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6EEL
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7RFY
 | | Importin alpha3 in complex with MERS ORF4B | | Descriptor: | Importin subunit alpha-3, ORF4b | | Authors: | Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K. | | Deposit date: | 2021-07-14 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity.
Nat Commun, 13, 2022
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7RG0
 | | Importin alpha2 in complex with MERS ORF4B R24A mutant | | Descriptor: | Importin subunit alpha-1, ORF4b | | Authors: | Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K. | | Deposit date: | 2021-07-14 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity.
Nat Commun, 13, 2022
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5I8D
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130D
 | | MOLECULAR STRUCTURE OF D(CGC[E6G]AATTCGCG) COMPLEXED WITH HOECHST 33342 | | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*(G36)P*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Sriram, M, Van Der Marel, G.A, Roelen, H.L.P.F, Van Boom, J.H, Wang, A.H.-J. | | Deposit date: | 1993-06-30 | | Release date: | 1994-01-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Conformation of B-DNA containing O6-ethyl-G-C base pairs stabilized by minor groove binding drugs: molecular structure of d(CGC[e6G]AATTCGCG complexed with Hoechst 33258 or Hoechst 33342.
EMBO J., 11, 1992
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131D
 | | THE LOW-TEMPERATURE CRYSTAL STRUCTURE OF THE PURE-SPERMINE FORM OF Z-DNA REVEALS BINDING OF A SPERMINE MOLECULE IN THE MINOR GROOVE | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SODIUM ION, SPERMINE | | Authors: | Bancroft, D, Williams, L.D, Rich, A, Egli, M. | | Deposit date: | 1993-06-18 | | Release date: | 1993-10-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | The low-temperature crystal structure of the pure-spermine form of Z-DNA reveals binding of a spermine molecule in the minor groove.
Biochemistry, 33, 1994
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1AEU
 | | SPECIFICITY OF LIGAND BINDING IN A POLAR CAVITY OF CYTOCHROME C PEROXIDASE (2-METHYLIMIDAZOLE) | | Descriptor: | 2-METHYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | | Deposit date: | 1997-02-25 | | Release date: | 1997-09-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Nat.Struct.Biol., 3, 1996
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