3ECQ
 
 | | Endo-alpha-N-acetylgalactosaminidase from Streptococcus pneumoniae: SeMet structure | | Descriptor: | CALCIUM ION, Endo-alpha-N-acetylgalactosaminidase, GLYCEROL, ... | | Authors: | Caines, M.E.C, Zhu, H, Vuckovic, M, Strynadka, N.C.J. | | Deposit date: | 2008-09-01 | | Release date: | 2008-09-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The structural basis for T-antigen hydrolysis by Streptococcus pneumoniae: a target for structure-based vaccine design.
J.Biol.Chem., 283, 2008
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3EEB
 | | Structure of the V. cholerae RTX cysteine protease domain | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, RTX toxin RtxA, SODIUM ION | | Authors: | Lupardus, P.J, Shen, A, Bogyo, M, Garcia, K.C. | | Deposit date: | 2008-09-04 | | Release date: | 2008-10-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Small molecule-induced allosteric activation of the Vibrio cholerae RTX cysteine protease domain
Science, 322, 2008
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6EZH
 | | Torpedo californica AChE in complex with indolic multi-target directed ligand | | Descriptor: | 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | Authors: | Santoni, G, Lalut, J, Karila, D, Lecoutey, C, Davis, A, Nachon, F, Sillman, I, Sussman, J, Weik, M, Maurice, T, Dallemagne, P, Rochais, C. | | Deposit date: | 2017-11-15 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Novel multitarget-directed ligands targeting acetylcholinesterase and sigma1receptors as lead compounds for treatment of Alzheimer's disease: Synthesis, evaluation, and structural characterization of their complexes with acetylcholinesterase.
Eur J Med Chem, 162, 2018
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4J4S
 | | Triple mutant SFTAVN | | Descriptor: | Nucleocapsid protein, SODIUM ION | | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | | Deposit date: | 2013-02-07 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.442 Å) | | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential
J.Virol., 87, 2013
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1IZE
 | | Crystal structure of Aspergillus oryzae Aspartic proteinase complexed with pepstatin | | Descriptor: | Pepstatin, alpha-D-mannopyranose, aspartic proteinase | | Authors: | Kamitori, S, Ohtaki, A, Ino, H, Takeuchi, M. | | Deposit date: | 2002-10-02 | | Release date: | 2003-03-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of Aspergillus oryzae aspartic proteinase and its complex with an inhibitor pepstatin at 1.9A resolution.
J.Mol.Biol., 326, 2003
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6SDH
 | | Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 5 mM | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Gloeckner, S, Haake, M, Heine, A, Klebe, G. | | Deposit date: | 2019-07-27 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 5 mM
To Be Published
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1J3D
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3PLX
 | | The crystal structure of aspartate alpha-decarboxylase from Campylobacter jejuni subsp. jejuni NCTC 11168 | | Descriptor: | ACETATE ION, Aspartate 1-decarboxylase, DI(HYDROXYETHYL)ETHER | | Authors: | Tan, K, Gu, M, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-11-15 | | Release date: | 2010-12-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.747 Å) | | Cite: | The crystal structure of aspartate alpha-decarboxylase from Campylobacter jejuni subsp. jejuni NCTC 11168
To be Published
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3EFP
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4ISR
 | | Binding domain of Botulinum neurotoxin DC in complex with rat synaptotagmin II | | Descriptor: | Neurotoxin, SULFATE ION, Synaptotagmin-2 | | Authors: | Berntsson, R.P.-A, Peng, L, Svensson, L.M, Dong, M, Stenmark, P. | | Deposit date: | 2013-01-17 | | Release date: | 2013-08-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal Structures of Botulinum Neurotoxin DC in Complex with Its Protein Receptors Synaptotagmin I and II.
Structure, 21, 2013
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6SBF
 | | Structure of type II terpene cyclase MstE_Y157F from Scytonema (apo) | | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, MstE | | Authors: | Moosmann, P, Ecker, F, Leopold-Messer, S, Cahn, J.K.B, Groll, M, Piel, J. | | Deposit date: | 2019-07-19 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A monodomain class II terpene cyclase assembles complex isoprenoid scaffolds.
Nat.Chem., 12, 2020
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3EL4
 | | Crystal structure of inhibitor saquinavir (SQV) complexed with the multidrug HIV-1 protease variant L63P/V82T/I84V | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, Protease | | Authors: | Prabu-Jeyabalan, M, King, N, Schiffer, C. | | Deposit date: | 2008-09-19 | | Release date: | 2009-09-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
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4O92
 | | Crystal structure of a Glutathione S-transferase from Pichia kudriavzevii (Issatchenkia orientalis), target EFI-501747 | | Descriptor: | Glutathione S-transferase, SULFATE ION | | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Attonito, J.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-12-31 | | Release date: | 2014-01-15 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystal structure of a Glutathione S-transferase from Pichia kudriavzevii (Issatchenkia orientalis), target EFI-501747
TO BE PUBLISHED
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6SEG
 | | Class1: CENP-A nucleosome in complex with CENP-C central region | | Descriptor: | DNA (145-MER), Histone H2A type 2-A, Histone H2B type 1-C/E/F/G/I, ... | | Authors: | Ali-Ahmad, A, Bilokapic, S, Schafer, I.B, Halic, M, Sekulic, N. | | Deposit date: | 2019-07-30 | | Release date: | 2019-08-14 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | CENP-C unwraps the human CENP-A nucleosome through the H2A C-terminal tail.
Embo Rep., 20, 2019
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4O9M
 | | Human DNA polymerase beta complexed with adenylated tetrahydrofuran (abasic site) containing DNA | | Descriptor: | (5'-D(P*GP*TP*CP*GP*G)-3');, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), ... | | Authors: | Caglayan, M, Batra, V.K, Sassa, A, Prasad, R, Wilson, S.H. | | Deposit date: | 2014-01-02 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | Role of polymerase beta in complementing aprataxin deficiency during abasic-site base excision repair.
Nat.Struct.Mol.Biol., 21, 2014
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6IWH
 | | Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with C14-GGGI lipopeptide | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, C14-GGGI lipopeptide, ... | | Authors: | Yamamoto, Y, Morita, D, Sugita, M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-08-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification and Structure of an MHC Class I-Encoded Protein with the Potential to PresentN-Myristoylated 4-mer Peptides to T Cells.
J Immunol., 202, 2019
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4IWY
 | | SeMet-substituted RimK structure | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLUTAMIC ACID, Ribosomal protein S6 modification protein, ... | | Authors: | Shi, D, Zhao, G, Jin, Z, Allewell, N.M, Tuchman, M. | | Deposit date: | 2013-01-24 | | Release date: | 2013-05-08 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure and function of Escherichia coli RimK, an ATP-grasp fold, l-glutamyl ligase enzyme.
Proteins, 81, 2013
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1J1O
 | | Crystal Structure of HyHEL-10 Fv mutant LY50F complexed with hen egg white lysozyme | | Descriptor: | Ig VH,anti-lysozyme, Lysozyme C, lysozyme binding Ig kappa chain V23-J2 region | | Authors: | Yokota, A, Tsumoto, K, Shiroishi, M, Kondo, H, Kumagai, I. | | Deposit date: | 2002-12-13 | | Release date: | 2003-01-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Role of Hydrogen Bonding via Interfacial Water Molecules in Antigen-Antibody Complexation. THE HyHEL-10-HEL INTERACTION
J.BIOL.CHEM., 278, 2003
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1J7S
 | | Crystal Structure of deoxy HbalphaYQ, a mutant of HbA | | Descriptor: | Hemoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Miele, A.E, Draghi, F, Arcovito, A, Bellelli, A, Brunori, M, Travaglini-Allocatelli, C, Vallone, B. | | Deposit date: | 2001-05-18 | | Release date: | 2002-02-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Control of heme reactivity by diffusion: structural basis and functional characterization in hemoglobin mutants.
Biochemistry, 40, 2001
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6F0N
 | | GLIC mutant E82A | | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Hu, H.D, Delarue, M. | | Deposit date: | 2017-11-20 | | Release date: | 2018-01-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
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1J1X
 | | Crystal Structure of HyHEL-10 Fv mutant LS93A complexed with hen egg white lysozyme | | Descriptor: | Ig VH,anti-lysozyme, Lysozyme C, lysozyme binding Ig kappa chain V23-J2 region | | Authors: | Yokota, A, Tsumoto, K, Shiroishi, M, Kondo, H, Kumagai, I. | | Deposit date: | 2002-12-20 | | Release date: | 2003-01-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Role of Hydrogen Bonding via Interfacial Water Molecules in Antigen-Antibody Complexation. THE HyHEL-10-HEL INTERACTION
J.BIOL.CHEM., 278, 2003
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6F2V
 | | Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with AMP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Dohler, C, Zebisch, M, Strater, N. | | Deposit date: | 2017-11-27 | | Release date: | 2018-08-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Sci Rep, 8, 2018
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6F15
 | | GLIC mutant H127Q | | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Hu, H.D, Delarue, M. | | Deposit date: | 2017-11-21 | | Release date: | 2018-01-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
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3PHU
 | | OTU Domain of Crimean Congo Hemorrhagic Fever Virus | | Descriptor: | GLYCEROL, RNA-directed RNA polymerase L | | Authors: | Akutsu, M, Ye, Y, Virdee, S, Komander, D. | | Deposit date: | 2010-11-04 | | Release date: | 2011-02-02 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular basis for ubiquitin and ISG15 cross-reactivity in viral ovarian tumor domains.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3EPO
 | | Crystal structure of Caulobacter crescentus ThiC complexed with HMP-P | | Descriptor: | (4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATE, Thiamine biosynthesis protein thiC | | Authors: | Li, S, Chatterjee, A, Zhang, Y, Grove, T.L, Lee, M, Krebs, C, Booker, S.J, Begley, T.P, Ealick, S.E. | | Deposit date: | 2008-09-29 | | Release date: | 2008-10-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Reconstitution of ThiC in thiamine pyrimidine biosynthesis expands the radical SAM superfamily
Nat.Chem.Biol., 4, 2008
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