1Q8I
 
 | | Crystal structure of ESCHERICHIA coli DNA Polymerase II | | Descriptor: | DNA polymerase II | | Authors: | Brunzelle, J.S, Muchmore, C.R.A, Mashhoon, N, Blair-Johnson, M, Shuvalova, L, Goodman, M.F, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2003-08-21 | | Release date: | 2004-01-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Escherichia Coli DNA Polymerase II
To be Published
|
|
8TLM
 | | Structure of a class A GPCR/Fab complex | | Descriptor: | C-C chemokine receptor type 8, Green fluorescent protein fusion, Fab heavy chain, ... | | Authors: | Sun, D, Johnson, M, Masureel, M. | | Deposit date: | 2023-07-27 | | Release date: | 2023-12-20 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of antibody inhibition and chemokine activation of the human CC chemokine receptor 8.
Nat Commun, 14, 2023
|
|
1DNW
 | | HUMAN MYELOPEROXIDASE-CYANIDE-THIOCYANATE COMPLEX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CALCIUM ION, ... | | Authors: | Blair-Johnson, M, Fiedler, T.J, Fenna, R.E. | | Deposit date: | 1999-12-16 | | Release date: | 2001-12-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Human myeloperoxidase: structure of a cyanide complex and its interaction with bromide and thiocyanate substrates at 1.9 A resolution.
Biochemistry, 40, 2001
|
|
1DNU
 | | STRUCTURAL ANALYSES OF HUMAN MYELOPEROXIDASE-THIOCYANATE COMPLEX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CALCIUM ION, ... | | Authors: | Blair-Johnson, M, Fiedler, T.J, Fenna, R.E. | | Deposit date: | 1999-12-16 | | Release date: | 2001-12-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Human myeloperoxidase: structure of a cyanide complex and its interaction with bromide and thiocyanate substrates at 1.9 A resolution.
Biochemistry, 40, 2001
|
|
8U1U
 | | Structure of a class A GPCR/agonist complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-C motif chemokine 1,C-C chemokine receptor type 8,EGFP fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Sun, D, Johnson, M, Masureel, M. | | Deposit date: | 2023-09-02 | | Release date: | 2023-12-20 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis of antibody inhibition and chemokine activation of the human CC chemokine receptor 8.
Nat Commun, 14, 2023
|
|
3RKZ
 | | Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor capable of significantly decreasing tumor volume in a mouse xenograft model. | | Descriptor: | (5R,6S)-3-(L-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide, Heat shock protein HSP 90-alpha | | Authors: | Zapf, C.W, Bloom, J.D, Li, Z, Dushin, R.G, Nittoli, T, Otteng, M, Nikitenko, A, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E, Olland, A, Johnson, M, Levin, J.I. | | Deposit date: | 2011-04-18 | | Release date: | 2011-07-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5693 Å) | | Cite: | Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor which significantly decreases tumor volume in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
2ZM3
 | | Complex Structure of Insulin-like Growth Factor Receptor and Isoquinolinedione Inhibitor | | Descriptor: | (4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione, Insulin-like growth factor 1 receptor | | Authors: | Xu, W, Mayer, S.C, Boschelli, F, Johnson, M, Dwyer, B. | | Deposit date: | 2008-04-10 | | Release date: | 2008-06-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Lead identification to generate isoquinolinedione inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment
Bioorg.Med.Chem.Lett., 18, 2008
|
|
2ID5
 | | Crystal Structure of the Lingo-1 Ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine rich repeat neuronal 6A, ... | | Authors: | Mosyak, L, Wood, A, Dwyer, B, Johnson, M, Stahl, M.L, Somers, W.S. | | Deposit date: | 2006-09-14 | | Release date: | 2006-09-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.698 Å) | | Cite: | The structure of the Lingo-1 ectodomain, a module implicated in central nervous system repair inhibition.
J.Biol.Chem., 281, 2006
|
|
3BM9
 | | Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90 | | Descriptor: | 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | | Authors: | Gopalsamy, A, Shi, M, Vogan, E.M, Golas, J, Jacob, J, Johnson, J, Lee, F, Nilakantan, R, Peterson, R, Svenson, K, Tam, M.S, Wen, Y, Chopra, R, Ellingboe, J, Arndt, K, Boschelli, F. | | Deposit date: | 2007-12-12 | | Release date: | 2008-07-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90.
J.Med.Chem., 51, 2008
|
|
3BMY
 | | Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90 | | Descriptor: | 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol, Heat shock protein HSP 90-alpha | | Authors: | Gopalsamy, A, Shi, M, Vogan, E.M, Golas, J, Jacob, J, Johnson, J, Lee, F, Nilakantan, R, Peterson, R, Svenson, K, Tam, M.S, Wen, Y, Chopra, R, Ellingboe, J, Arndt, K, Boschelli, F. | | Deposit date: | 2007-12-13 | | Release date: | 2008-07-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90.
J.Med.Chem., 51, 2008
|
|
8ETR
 | | CryoEM Structure of NLRP3 NACHT domain in complex with G2394 | | Descriptor: | (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Murray, J.M, Johnson, M.C. | | Deposit date: | 2022-10-17 | | Release date: | 2022-11-02 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Overcoming Preclinical Safety Obstacles to Discover ( S )- N -((1,2,3,5,6,7-Hexahydro- s -indacen-4-yl)carbamoyl)-6-(methylamino)-6,7-dihydro-5 H -pyrazolo[5,1- b ][1,3]oxazine-3-sulfonamide (GDC-2394): A Potent and Selective NLRP3 Inhibitor.
J.Med.Chem., 65, 2022
|
|
3L38
 | | Bace1 in complex with the aminopyridine Compound 44 | | Descriptor: | 6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine, Beta-secretase 1 | | Authors: | Olland, A.M, Chopra, R. | | Deposit date: | 2009-12-16 | | Release date: | 2010-04-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
3F5P
 | | Complex Structure of Insulin-like Growth Factor Receptor and 3-Cyanoquinoline Inhibitor | | Descriptor: | 4-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[3-(2-hydroxyethyl-methyl-amino)propoxy]-6-methoxy-quinoline-3-carbonitrile, Insulin-like growth factor 1 receptor | | Authors: | Xu, W, Miller, L.M, Mayer, S.C, Berger, D.M, Boschelli, D.H, Boschelli, F. | | Deposit date: | 2008-11-04 | | Release date: | 2008-12-30 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Lead identification to generate 3-cyanoquinoline inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment
Bioorg.Med.Chem.Lett., 19, 2009
|
|
7NY8
 | | Affimer K69 - KRAS protein complex | | Descriptor: | Affimer K69, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Turner, A.L, Trinh, C.H, Haza, K.Z, Rao, A, Martin, H.L, Tiede, C, Edwards, T.A, McPherson, M.J, Tomlinson, D.C. | | Deposit date: | 2021-03-21 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site.
Nat Commun, 12, 2021
|
|
1D7W
 | |
6HSV
 | | Engineered higher-order assembly of Cholera Toxin B subunits via the addition of C-terminal parallel coiled-coiled domains | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, PHOSPHATE ION, ... | | Authors: | Pearson, A.R, Turnbull, W.B, Ross, J.F, Trinh, C.H, Webb, M.E. | | Deposit date: | 2018-10-01 | | Release date: | 2019-03-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Directed Assembly of Homopentameric Cholera Toxin B-Subunit Proteins into Higher-Order Structures Using Coiled-Coil Appendages.
J.Am.Chem.Soc., 141, 2019
|
|
6YR8
 | | Affimer K6 - KRAS protein complex | | Descriptor: | Affimer K6, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Trinh, C.H, Haza, K.Z, Rao, A, Martin, H.L, Tiede, C, Edwards, T.A, McPherson, M.J, Tomlinson, D.C. | | Deposit date: | 2020-04-19 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site.
Nat Commun, 12, 2021
|
|
6YXW
 | | Affimer K3 - KRAS protein complex | | Descriptor: | Affimer K3, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Trinh, C.H, Haza, K.Z, Rao, A, Martin, H.L, Tiede, C, Edwards, T.A, McPherson, M.J, Tomlinson, D.C. | | Deposit date: | 2020-05-04 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site.
Nat Commun, 12, 2021
|
|
8F0F
 | | HIV-1 wild type protease with GRL-110-19A, a chloroacetamide derivative based on Darunavir as P2' group | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | | Deposit date: | 2022-11-02 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Evaluation of darunavir-derived HIV-1 protease inhibitors incorporating P2' amide-derivatives: Synthesis, biological evaluation and structural studies.
Bioorg.Med.Chem.Lett., 83, 2023
|
|
4TYO
 | | PPIase in complex with a non-phosphate small molecule inhibitor. | | Descriptor: | 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine, GLYCEROL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Greasley, S.E, Ferre, R.A. | | Deposit date: | 2014-07-08 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-based design of novel human Pin1 inhibitors (III): Optimizing affinity beyond the phosphate recognition pocket.
Bioorg.Med.Chem.Lett., 24, 2014
|
|
7UNB
 | | Crystal structure of malaria transmission-blocking antigen Pfs48/45-6C variant in complex with human antibodies RUPA-117 and RUPA-47 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gametocyte surface protein P45/48, RUPA-117 Fab heavy chain, ... | | Authors: | Hailemariam, S, McLeod, B, Julien, J.-P. | | Deposit date: | 2022-04-10 | | Release date: | 2022-08-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Vaccination with a structure-based stabilized version of malarial antigen Pfs48/45 elicits ultra-potent transmission-blocking antibody responses.
Immunity, 55, 2022
|
|
8FUI
 | | HIV-1 wild type protease with GRL-02519A, with N-(2,5-dimethylphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine as P2-P3 group | | Descriptor: | ACETATE ION, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Wang, Y.-F, Wong-Sam, A.E, Ghosh, A.K, Weber, I.T. | | Deposit date: | 2023-01-17 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Exploration of imatinib and nilotinib-derived templates as the P2-Ligand for HIV-1 protease inhibitors: Design, synthesis, protein X-ray structural studies, and biological evaluation.
Eur.J.Med.Chem., 255, 2023
|
|
8FUJ
 | | HIV-1 wild type protease with GRL-03419A, with N-(2,5-dimethylphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine as P2-P3 group and 3,5-difluorophenylmethyl as the P1 group | | Descriptor: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | | Deposit date: | 2023-01-17 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Exploration of imatinib and nilotinib-derived templates as the P2-Ligand for HIV-1 protease inhibitors: Design, synthesis, protein X-ray structural studies, and biological evaluation.
Eur.J.Med.Chem., 255, 2023
|
|
7U8G
 | | Cryo-EM structure of the core human NADPH oxidase NOX2 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 7G5 - heavy chain, ... | | Authors: | Noreng, S, Ota, N, Sun, Y, Masureel, M, Payandeh, J, Yi, T, Koerber, J.T. | | Deposit date: | 2022-03-08 | | Release date: | 2022-10-26 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure of the core human NADPH oxidase NOX2.
Nat Commun, 13, 2022
|
|
1D5L
 | | CRYSTAL STRUCTURE OF CYANIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | | Authors: | Fiedler, T.J, Davey, C.A, Fenna, R.E. | | Deposit date: | 1999-10-07 | | Release date: | 2001-12-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Human myeloperoxidase: structure of a cyanide complex and its interaction with bromide and thiocyanate substrates at 1.9 A resolution.
Biochemistry, 40, 2001
|
|
