1CYN
 
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6KXY
 | | Human PPAR alpha ligand binding domain in complex with a synthetic agonist (compound B) | | Descriptor: | 6-ethyl-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid, PGC1alpha, Peroxisome proliferator-activated receptor alpha | | Authors: | Yoshida, T, Tachibana, K, Oki, H, Doi, M, Fukuda, S, Yuzuriha, T, Tabata, R, Ishimoto, K, Kawahara, K, Ohkubo, T, Miyachi, H, Doi, T. | | Deposit date: | 2019-09-14 | | Release date: | 2020-05-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for PPAR alpha Activation by 1H-pyrazolo-[3,4-b]pyridine Derivatives.
Sci Rep, 10, 2020
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1AIS
 | | TATA-BINDING PROTEIN/TRANSCRIPTION FACTOR (II)B/TATA-BOX COMPLEX FROM PYROCOCCUS WOESEI | | Descriptor: | DNA (5'-D(*AP*AP*CP*TP*TP*AP*CP*TP*TP*TP*(5IU)P*(5IU)P*AP*AP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*TP*TP*AP*AP*AP*AP*AP*GP*TP*AP*AP*GP*TP*T )-3'), PROTEIN (TATA-BINDING PROTEIN), ... | | Authors: | Kosa, P.F, Ghosh, G, Dedecker, B.S, Sigler, P.B. | | Deposit date: | 1997-04-24 | | Release date: | 1997-07-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The 2.1-A crystal structure of an archaeal preinitiation complex: TATA-box-binding protein/transcription factor (II)B core/TATA-box.
Proc.Natl.Acad.Sci.USA, 94, 1997
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3N7R
 | | Crystal structure of the ectodomain complex of the CGRP receptor, a Class-B GPCR, reveals the site of drug antagonism | | Descriptor: | Calcitonin gene-related peptide type 1 receptor, N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide, N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide, ... | | Authors: | Ter Haar, E. | | Deposit date: | 2010-05-27 | | Release date: | 2010-09-15 | | Last modified: | 2022-10-26 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of the Ectodomain Complex of the CGRP Receptor, a Class-B GPCR, Reveals the Site of Drug Antagonism.
Structure, 18, 2010
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3BHT
 | | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 3 | | Descriptor: | 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Cell division protein kinase 2, Cyclin-A2, ... | | Authors: | Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L. | | Deposit date: | 2007-11-29 | | Release date: | 2008-02-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases
Cancer Res., 67, 2007
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2O9R
 | | beta-glucosidase B complexed with thiocellobiose | | Descriptor: | Beta-glucosidase B, beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose | | Authors: | Isorna, P, Polaina, J, Sanz-Aparicio, J. | | Deposit date: | 2006-12-14 | | Release date: | 2007-10-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of Paenibacillus polymyxa beta-Glucosidase B Complexes Reveal the Molecular Basis of Substrate Specificity and Give New Insights into the Catalytic Machinery of Family I Glycosidases
J.Mol.Biol., 371, 2007
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3BJ5
 | | Alternative conformations of the x region of human protein disulphide-isomerase modulate exposure of the substrate binding b' domain | | Descriptor: | Protein disulfide-isomerase, SULFATE ION | | Authors: | Ruddock, L.W, Nguyen, V.D, Wierenga, R.K, Haapalainen, A.M. | | Deposit date: | 2007-12-03 | | Release date: | 2008-09-30 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Alternative conformations of the x region of human protein disulphide-isomerase modulate exposure of the substrate binding b' domain
J.Mol.Biol., 383, 2008
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3O84
 | | Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid. | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, ... | | Authors: | Drake, E.J, Duckworth, B.P, Neres, J, Aldrich, C.C, Gulick, A.M. | | Deposit date: | 2010-08-02 | | Release date: | 2010-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Biochemical and structural characterization of bisubstrate inhibitors of BasE, the self-standing nonribosomal peptide synthetase adenylate-forming enzyme of acinetobactin synthesis.
Biochemistry, 49, 2010
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1O6L
 | | Crystal structure of an activated Akt/protein kinase B (PKB-PIF chimera) ternary complex with AMP-PNP and GSK3 peptide | | Descriptor: | GLYCOGEN SYNTHASE KINASE-3 BETA, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Yang, J, Cron, P, Good, V.M, Thompson, V, Hemmings, B.A, Barford, D. | | Deposit date: | 2002-10-08 | | Release date: | 2002-11-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of an Activated Akt/Protein Kinase B Ternary Complex with Gsk-3 Peptide and AMP-Pnp
Nat.Struct.Biol., 9, 2002
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3BHU
 | | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 5 | | Descriptor: | 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Cell division protein kinase 2, Cyclin-A2, ... | | Authors: | Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L. | | Deposit date: | 2007-11-29 | | Release date: | 2008-02-12 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases
Cancer Res., 67, 2007
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1VRN
 | | PHOTOSYNTHETIC REACTION CENTER BLASTOCHLORIS VIRIDIS (ATCC) | | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | Authors: | Baxter, R.H.G, Seagle, B.-L, Norris, J.R. | | Deposit date: | 2005-02-23 | | Release date: | 2005-03-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cryogenic structure of the photosynthetic reaction center of Blastochloris viridis in the light and dark.
Acta Crystallogr.,Sect.D, 61, 2005
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4MOT
 | | Structure of Streptococcus pneumonia pare in complex with AZ13072886 | | Descriptor: | 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea, Topoisomerase IV subunit B | | Authors: | Ogg, D, Boriack-Sjodin, P.A. | | Deposit date: | 2013-09-12 | | Release date: | 2013-11-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy.
Bioorg.Med.Chem.Lett., 24, 2014
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2HV1
 | | HADDOCK structure of ARNT PAS-B Homodimer | | Descriptor: | Aryl hydrocarbon receptor nuclear translocator | | Authors: | Card, P.B, Gardner, K.H. | | Deposit date: | 2006-07-27 | | Release date: | 2007-08-07 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Practical aspects of using paramagnetic relaxation enhancements for protein docking: Application to the ARNT PAS-B homodimer
To be Published
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5OY4
 | | GSK3beta complex with N-(6-(3,4-dihydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide | | Descriptor: | Glycogen synthase kinase-3 beta, Proto-oncogene FRAT1, SULFATE ION, ... | | Authors: | Bax, B.D, Convery, M.A. | | Deposit date: | 2017-09-07 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | From PIM1 to PI3K delta via GSK3 beta : Target Hopping through the Kinome.
ACS Med Chem Lett, 8, 2017
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3HOL
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3I0E
 | | Crystal structure of GTB C80S/C196S + H-antigen | | Descriptor: | ABO glycosyltransferase, alpha-L-fucopyranose-(1-2)-hexyl beta-D-galactopyranoside | | Authors: | Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V. | | Deposit date: | 2009-06-25 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
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3I0F
 | | Crystal structure of GTB C80S/C196S + UDP + H antigen | | Descriptor: | ABO glycosyltransferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ... | | Authors: | Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V. | | Deposit date: | 2009-06-25 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
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3I0D
 | | Crystal structure of GTB C80S/C196S + UDP | | Descriptor: | ABO glycosyltransferase, URIDINE-5'-DIPHOSPHATE | | Authors: | Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V. | | Deposit date: | 2009-06-25 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
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3I0I
 | | Crystal structure of GTB C80S/C196S/C209S + UDP | | Descriptor: | ABO glycosyltransferase, URIDINE-5'-DIPHOSPHATE | | Authors: | Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V. | | Deposit date: | 2009-06-25 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
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3I0J
 | | Crystal structure of GTB C80S/C196S/C209S + H antigen | | Descriptor: | ABO glycosyltransferase, alpha-L-fucopyranose-(1-2)-hexyl beta-D-galactopyranoside | | Authors: | Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V. | | Deposit date: | 2009-06-25 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding.
J.Mol.Biol., 402, 2010
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3FKV
 | | AmpC K67R mutant complexed with benzo(b)thiophene-2-boronic acid (bzb) | | Descriptor: | BENZO[B]THIOPHENE-2-BORONIC ACID, Beta-lactamase, PHOSPHATE ION, ... | | Authors: | Chen, Y, McReynolds, A, Shoichet, B.K. | | Deposit date: | 2008-12-17 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.847 Å) | | Cite: | Re-examining the role of Lys67 in class C beta-lactamase catalysis.
Protein Sci., 18, 2009
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3GZY
 | | Crystal Structure of the Biphenyl Dioxygenase from Comamonas testosteroni Sp. Strain B-356 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Biphenyl dioxygenase subunit alpha, Biphenyl dioxygenase subunit beta, ... | | Authors: | Kumar, P, Colbert, C.L, Bolin, J.T. | | Deposit date: | 2009-04-08 | | Release date: | 2010-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structural Characterization of Pandoraea pnomenusa B-356 Biphenyl Dioxygenase Reveals Features of Potent Polychlorinated Biphenyl-Degrading Enzymes
Plos One, 8, 2013
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2A83
 | | Crystal structure of hla-b*2705 complexed with the glucagon receptor (gr) peptide (residues 412-420) | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Ruckert, C, Fiorillo, M.T, Loll, B, Moretti, R, Biesiadka, J, Saenger, W, Ziegler, A, Sorrentino, R, Uchanska-Ziegler, B. | | Deposit date: | 2005-07-07 | | Release date: | 2005-12-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Conformational dimorphism of self-peptides and molecular mimicry in a disease-associated HLA-B27 subtype.
J.Biol.Chem., 281, 2006
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1DEE
 | | Structure of S. aureus protein A bound to a human IgM Fab | | Descriptor: | IGM RF 2A2, IMMUNOGLOBULIN G BINDING PROTEIN A | | Authors: | Graille, M, Stura, E.A, Corper, A.L, Sutton, B.J, Taussig, M.J, Charbonnier, J.B, Silverman, G.J. | | Deposit date: | 1999-11-15 | | Release date: | 2000-05-24 | | Last modified: | 2018-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of a Staphylococcus aureus protein A domain complexed with the Fab fragment of a human IgM antibody: structural basis for recognition of B-cell receptors and superantigen activity.
Proc.Natl.Acad.Sci.USA, 97, 2000
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6M95
 | | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1 | | Descriptor: | (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14 | | Authors: | Lane, W, Okada, K. | | Deposit date: | 2018-08-22 | | Release date: | 2019-04-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
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