6I1Q
 
 | | Iodide structure of Trichoderma reesei Carbohydrate-Active Enzymes Family AA12 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Turbe-Doan, A, Record, E, Lombard, V, Kumar, R, Henrissat, B, Levasseur, A, Garron, M.L. | | Deposit date: | 2018-10-30 | | Release date: | 2019-11-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The functional and structural characterization ofTrichoderma reeseidehydrogenase belonging to the PQQ dependent family of Carbohydrate-Active Enzymes Family AA12.
Appl.Environ.Microbiol., 2019
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3ZWF
 | | Crystal structure of Human tRNase Z, short form (ELAC1). | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, SODIUM ION, ... | | Authors: | Allerston, C.K, Krojer, T, Berridge, G, Burgess-Brown, N, Chaikuad, A, Chalk, R, Elkins, J.M, Gileadi, C, Latwiel, S.V.A, Savitsky, P, Vollmar, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Gileadi, O. | | Deposit date: | 2011-07-29 | | Release date: | 2011-08-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of Human Trnase Z, Short Form (Elac1).
To be Published
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3ZZC
 | | Crystal structure of 3C protease mutant (T68A and N126Y) of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 83 | | Descriptor: | 3C PROTEINASE, ETHYL (5S,8S,11R)-8-BENZYL-5-(2-TERT-BUTOXY-2-OXOETHYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE | | Authors: | Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R. | | Deposit date: | 2011-08-31 | | Release date: | 2012-09-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations
To be Published
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3ZIM
 | | Discovery of a potent and isoform-selective targeted covalent inhibitor of the lipid kinase PI3Kalpha | | Descriptor: | 1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4- dione, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM | | Authors: | Nacht, M, Qiao, L, Sheets, M.P, Martin, T.S, Labenski, M, Mazdiyasni, H, Karp, R, Zhu, Z, Chaturvedi, P, Bhavsar, D, Niu, D, Westlin, W, Petter, R.C, Medikonda, A.P, Jestel, A, Blaesse, M, Singh, J. | | Deposit date: | 2013-01-09 | | Release date: | 2013-02-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Discovery of a Potent and Isoform-Selective Targeted Covalent Inhibitor of the Lipid Kinase Pi3Kalpha
J.Med.Chem., 56, 2013
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3ZZ9
 | | Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 83 | | Descriptor: | 3C PROTEINASE, ETHYL (5S,8S,11R)-8-BENZYL-5-(2-TERT-BUTOXY-2-OXOETHYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE | | Authors: | Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R. | | Deposit date: | 2011-08-31 | | Release date: | 2012-09-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations
To be Published
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6I74
 | | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 1 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2018-11-15 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.959 Å) | | Cite: | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
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3ZZ6
 | | Crystal structure of 3C protease of coxsackievirus B3 complexed with Michael receptor inhibitor 75 | | Descriptor: | ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE, POLYPROTEIN 3BCD | | Authors: | Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R. | | Deposit date: | 2011-08-31 | | Release date: | 2012-09-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Peptidic Ab-Nonsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations
To be Published
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6I7R
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4FGV
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3ZFN
 | | Crystal structure of product-like, processed N-terminal protease Npro | | Descriptor: | CHLORIDE ION, MONOTHIOGLYCEROL, N-TERMINAL PROTEASE NPRO | | Authors: | Zogg, T, Sponring, M, Schindler, S, Koll, M, Schneider, R, Brandstetter, H, Auer, B. | | Deposit date: | 2012-12-12 | | Release date: | 2013-05-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structures of the Viral Protease Npro Imply Distinct Roles for the Catalytic Water in Catalysis
Structure, 21, 2013
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3ZII
 | | Bacillus subtilis SepF G109K, C-terminal domain | | Descriptor: | CELL DIVISION PROTEIN SEPF | | Authors: | Duman, R, Ishikawa, S, Celik, I, Ogasawara, N, Lowe, J, Hamoen, L.W. | | Deposit date: | 2013-01-09 | | Release date: | 2013-11-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and Genetic Analyses Reveal the Protein Sepf as a New Membrane Anchor for the Z Ring.
Proc.Natl.Acad.Sci.USA, 110, 2013
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6J5G
 | | Complex structure of MAb 4.2-scFv with tick-borne encephalitis virus envelope protein | | Descriptor: | Envelope protein E, antibody heavy chain, antibody light chain | | Authors: | Yang, X, Qi, J, Peng, R, Dai, L, Gould, E.A, Tien, P, Gao, G.F. | | Deposit date: | 2019-01-10 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.291 Å) | | Cite: | Molecular Basis of a Protective/Neutralizing Monoclonal Antibody Targeting Envelope Proteins of both Tick-Borne Encephalitis Virus and Louping Ill Virus.
J. Virol., 93, 2019
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4AJG
 | | Identification and structural characterization of PDE10 fragment inhibitors | | Descriptor: | CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ... | | Authors: | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | | Deposit date: | 2012-02-16 | | Release date: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
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418D
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4A5S
 | | CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE, DIPEPTIDYL PEPTIDASE 4 SOLUBLE FORM, ... | | Authors: | Ostermann, N, Kroemer, M, Zink, F, Gerhartz, B, Sutton, J.M, Clark, D.E, Dunsdon, S.J, Fenton, G, Fillmore, A, Harris, N.V, Higgs, C, Hurley, C.A, Krintel, S.L, MacKenzie, R.E, Duttaroy, A, Gangl, E, Maniara, W, Sedrani, R, Namoto, K, Sirockin, F, Trappe, J, Hassiepen, U, Baeschlin, D.K. | | Deposit date: | 2011-10-28 | | Release date: | 2012-02-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Novel Heterocyclic Dpp-4 Inhibitors for the Treatment of Type 2 Diabetes.
Bioorg.Med.Chem.Lett., 22, 2012
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6JDY
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4BAU
 | | Structure of a putative epoxide hydrolase t131d mutant from Pseudomonas aeruginosa, with bound MFA | | Descriptor: | CHLORIDE ION, PROBABLE EPOXIDE HYDROLASE, SULFATE ION, ... | | Authors: | Schmidberger, J.W, Schnell, R, Schneider, G. | | Deposit date: | 2012-09-16 | | Release date: | 2013-10-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure of a Putative Epoxide Hydrolase T131D Mutant from Pseudomonas Aeruginosa, with Bound Mfa
To be Published
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4BBP
 | | X-ray structure of zinc bound ZnuA in complex with RDS51 | | Descriptor: | 1-[(2-chlorophenyl)methyl]-N-hydroxy-4-phenyl-1H-pyrrole-3-carboxamide, SULFATE ION, ZINC ABC TRANSPORTER, ... | | Authors: | Alaleona, F, Ilari, A, Di Santo, R, Battistoni, A, Chiancone, E. | | Deposit date: | 2012-09-27 | | Release date: | 2013-10-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Salmonella Enterica Serovar Typhimurium Growth is Inhibited by the Concomitant Binding of Zn(II) and a Pyrrolyl-Hydroxamate to Znua, the Soluble Component of the Znuabc Transporter.
Biochim.Biophys.Acta, 1860, 2016
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1UN2
 | | Crystal structure of circularly permuted CPDSBA_Q100T99: Preserved Global Fold and Local Structural Adjustments | | Descriptor: | THIOL-DISULFIDE INTERCHANGE PROTEIN | | Authors: | Manjasetty, B.A, Hennecke, J, Glockshuber, R, Heinemann, U. | | Deposit date: | 2003-09-03 | | Release date: | 2003-09-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of Circularly Permuted Dsba(Q100T99): Preserved Global Fold and Local Structural Adjustments
Acta Crystallogr.,Sect.D, 60, 2004
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6J5C
 | | Louping ill virus envelope protein | | Descriptor: | Envelope protein E | | Authors: | Yang, X, Qi, J, Peng, R, Dai, L, Gould, E.A, Tien, P, Gao, G.F. | | Deposit date: | 2019-01-10 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Molecular Basis of a Protective/Neutralizing Monoclonal Antibody Targeting Envelope Proteins of both Tick-Borne Encephalitis Virus and Louping Ill Virus.
J. Virol., 93, 2019
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4BHN
 | | Crystal Structures of Ask1-inhibitor Complexes | | Descriptor: | 4-tert-butyl-N-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]benzamide, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5 | | Authors: | Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J. | | Deposit date: | 2013-04-04 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
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4BIC
 | | Crystal Structures of Ask1-inhibitor Complexes | | Descriptor: | GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, N-(2-aminoethyl)-5-{1H-pyrrolo[2,3-b]pyridin-3-yl}thiophene-2-sulfonamide | | Authors: | Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J. | | Deposit date: | 2013-04-10 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
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4BK3
 | | Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: Y105F mutant | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL, ... | | Authors: | Orru, R, Montersino, S, Barendregt, A, Westphal, A.H, van Duijn, E, Mattevi, A, van Berkel, W.J.H. | | Deposit date: | 2013-04-21 | | Release date: | 2013-07-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy for Regioselective Aromatic Hydroxylation
J.Biol.Chem., 288, 2013
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4B96
 | | Family 3b carbohydrate-binding module from the biomass sensoring system of Clostridium clariflavum | | Descriptor: | CALCIUM ION, CELLULOSE BINDING DOMAIN-CONTAINING PROTEIN, CHLORIDE ION | | Authors: | Yaniv, O, Reddy, Y.H.K, Yoffe, H, Shimon, L.J.W, Bayer, E.A, Lamed, R, Frolow, F. | | Deposit date: | 2012-09-02 | | Release date: | 2013-09-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.911 Å) | | Cite: | Structure of Cbm3B from the Biomass Sensoring System of Clostridium Clarifalvum
To be Published
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1UXW
 | | CRYSTAL STRUCTURE OF HLA-B*2709 COMPLEXED WITH THE LATENT MEMBRANE PROTEIN 2 PEPTIDE (LMP2) OF EPSTEIN-BARR VIRUS | | Descriptor: | BETA-2-MICROGLOBULIN, GENE TERMINAL PROTEIN (MEMBRANE PROTEIN LMP-2A/LMP-2B), GLYCEROL, ... | | Authors: | Hulsmeyer, M, Kozerski, C, Fiorillo, M.T, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | | Deposit date: | 2004-03-01 | | Release date: | 2004-11-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Allele-Dependent Similarity between Viral and Self-Peptide Presentation by Hla-B27 Subtypes
J.Biol.Chem., 280, 2005
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