7KVZ
 
 | | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-2 | | Descriptor: | (2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | | Authors: | Skene, R.J. | | Deposit date: | 2020-11-29 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
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6AI6
 | | Crystal structure of SpCas9-NG | | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1, DNA (28-MER), ... | | Authors: | Nishimasu, H, Hirano, S, Ishitani, R, Nureki, O. | | Deposit date: | 2018-08-21 | | Release date: | 2018-10-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Engineered CRISPR-Cas9 nuclease with expanded targeting space
Science, 361, 2018
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6L98
 | | Crystalline cast nephropathy-causing Bence-Jones protein AK: An entire immunoglobulin lambda light chain dimer | | Descriptor: | Bence-Jones protein lambda light chain AK | | Authors: | Nakagaki, T, Noguchi, K, Yohda, M, Odaka, M, Wakui, H, Matsumura, H. | | Deposit date: | 2019-11-08 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Multiple Myeloma-Associated Ig Light Chain Crystalline Cast Nephropathy.
Kidney Int Rep, 5, 2020
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8JS5
 | | Dimeric PAS domains of oxygen sensor FixL with ferric unliganded heme | | Descriptor: | GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Sensor protein FixL | | Authors: | Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y. | | Deposit date: | 2023-06-19 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme.
To be published
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8JS7
 | | Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme | | Descriptor: | GLYCEROL, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y. | | Deposit date: | 2023-06-19 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme.
To be published
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8JS6
 | | Dimeric PAS domains of oxygen sensor FixL in complex with cyanide-bound ferric heme | | Descriptor: | CYANIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y. | | Deposit date: | 2023-06-19 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme.
To be published
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6IIW
 | | Crystal structure of human UHRF1 PHD finger in complex with PAF15 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase UHRF1, PCNA-associated factor, ... | | Authors: | Arita, K, Kori, S. | | Deposit date: | 2018-10-07 | | Release date: | 2019-10-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Two distinct modes of DNMT1 recruitment ensure stable maintenance DNA methylation.
Nat Commun, 11, 2020
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5B5P
 | | Crystal structure of the catalytic domain of MMP-13 complexed with 4-oxo-N-(3-(2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy)benzyl)-3,4-dihydroquinazoline-2-carboxamide | | Descriptor: | 4-oxo-N-{3-[2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy]benzyl}-3,4-dihydroquinazoline-2-carboxamide, CALCIUM ION, Collagenase 3, ... | | Authors: | Oki, H, Tanaka, Y. | | Deposit date: | 2016-05-13 | | Release date: | 2017-01-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Novel, Highly Potent, and Selective Matrix Metalloproteinase (MMP)-13 Inhibitors with a 1,2,4-Triazol-3-yl Moiety as a Zinc Binding Group Using a Structure-Based Design Approach
J. Med. Chem., 60, 2017
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5B5O
 | | Crystal structure of the catalytic domain of MMP-13 complexed with N-phenyl-4-((4H-1,2,4-triazol-3-ylsulfanyl)methyl)-1,3-thiazol-2-amine | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Collagenase 3, ... | | Authors: | Oki, H, Tanaka, Y. | | Deposit date: | 2016-05-13 | | Release date: | 2017-01-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Discovery of Novel, Highly Potent, and Selective Matrix Metalloproteinase (MMP)-13 Inhibitors with a 1,2,4-Triazol-3-yl Moiety as a Zinc Binding Group Using a Structure-Based Design Approach
J. Med. Chem., 60, 2017
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3A8W
 | | Crystal Structure of PKCiota kinase domain | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Protein kinase C iota type, SULFATE ION | | Authors: | Takimura, T, Kamata, K. | | Deposit date: | 2009-10-11 | | Release date: | 2010-05-05 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of the PKC-iota kinase domain in its ATP-bound and apo forms reveal defined structures of residues 533-551 in the C-terminal tail and their roles in ATP binding
Acta Crystallogr.,Sect.D, 66, 2010
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3A8X
 | | Crystal Structure of PKCiota kinase domain | | Descriptor: | Protein kinase C iota type, SULFATE ION | | Authors: | Takimura, T, Kamata, K. | | Deposit date: | 2009-10-11 | | Release date: | 2010-05-05 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of the PKC-iota kinase domain in its ATP-bound and apo forms reveal defined structures of residues 533-551 in the C-terminal tail and their roles in ATP binding
Acta Crystallogr.,Sect.D, 66, 2010
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4Z2I
 | | Serratia marcescens Chitinase B complexed with macrolide inhibitor 30 | | Descriptor: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate, Chitinase B, GLYCEROL, ... | | Authors: | Maita, N, Sugawara, A, Sunazuka, T. | | Deposit date: | 2015-03-30 | | Release date: | 2015-07-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
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4Z2H
 | | Serratia marcescens Chitinase B complexed with macrolide inhibitor 29 | | Descriptor: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[N'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate, CHLORIDE ION, Chitinase B, ... | | Authors: | Maita, N, Sugawara, A, Sunazuka, T. | | Deposit date: | 2015-03-30 | | Release date: | 2015-07-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
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5WR7
 | | Crystal structure of Trk-A complexed with a selective inhibitor CH7057288 | | Descriptor: | High affinity nerve growth factor receptor, N-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide | | Authors: | Tanaka, H, Blaesse, M, Augustin, M, Goesser, C. | | Deposit date: | 2016-11-30 | | Release date: | 2017-12-06 | | Last modified: | 2018-12-19 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Selective TRK Inhibitor CH7057288 against TRK Fusion-Driven Cancer.
Mol. Cancer Ther., 17, 2018
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4Z2G
 | | Serratia marcescens Chitinase B complexed with macrolide inhibitor 26 | | Descriptor: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {4-[N'-(methylcarbamoyl)carbamimidamido]butyl}carbamate, Chitinase B | | Authors: | Maita, N, Sugawara, A, Sunazuka, T. | | Deposit date: | 2015-03-30 | | Release date: | 2015-07-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
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5XSO
 | | Crystal structure of full-length FixJ from B. japonicum crystallized in space group C2221 | | Descriptor: | FORMIC ACID, GLYCEROL, Response regulator FixJ | | Authors: | Nishizono, Y, Hisano, T, Sawai, H, Shiro, Y, Nakamura, H, Wright, G.S.A, Saeki, A, Hikima, T, Yamamoto, M, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2017-06-14 | | Release date: | 2018-05-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.778 Å) | | Cite: | Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system.
Sci Signal, 11, 2018
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4Z2J
 | | Serratia marcescens Chitinase B complexed with macrolide inhibitor 31 | | Descriptor: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[N'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate, Chitinase B, GLYCEROL, ... | | Authors: | Maita, N, Sugawara, A, Sunazuka, T. | | Deposit date: | 2015-03-30 | | Release date: | 2015-07-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
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4Z2L
 | | Serratia marcescens Chitinase B complexed with macrolide inhibitor 33 | | Descriptor: | (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate, CHLORIDE ION, Chitinase B, ... | | Authors: | Maita, N, Sugawara, A, Sunazuka, T. | | Deposit date: | 2015-03-30 | | Release date: | 2015-07-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
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4Z2K
 | | Serratia marcescens Chitinase B complexed with macrolide inhibitor 32 | | Descriptor: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[N'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate, Chitinase B, GLYCEROL | | Authors: | Maita, N, Sugawara, A, Sunazuka, T. | | Deposit date: | 2015-03-30 | | Release date: | 2015-07-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
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5XT2
 | | Crystal structures of full-length FixJ from B. japonicum crystallized in space group P212121 | | Descriptor: | FORMIC ACID, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Nishizono, Y, Hisano, T, Shiro, Y, Sawai, H, Wright, G.S.A, Saeki, A, Hikima, T, Nakamura, H, Yamamoto, M, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2017-06-16 | | Release date: | 2018-05-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.652 Å) | | Cite: | Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system.
Sci Signal, 11, 2018
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3Q96
 | | B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor | | Descriptor: | (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide, Serine/threonine-protein kinase B-raf | | Authors: | Sintchak, M.D, Aertgeerts, K, Yano, J. | | Deposit date: | 2011-01-07 | | Release date: | 2011-03-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors.
J.Med.Chem., 54, 2011
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7LXT
 | | Structure of Plasmodium falciparum 20S proteasome with bound bortezomib | | Descriptor: | 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ... | | Authors: | Morton, C.J, Metcalfe, R.D, Liu, B, Xie, S.C, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-03-05 | | Release date: | 2021-09-22 | | Last modified: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7LXU
 | | Structure of Plasmodium falciparum 20S proteasome with bound MPI-5 | | Descriptor: | 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ... | | Authors: | Metcalfe, R.D, Morton, C.J, Xie, S.C, Liu, B, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-03-05 | | Release date: | 2021-09-22 | | Last modified: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7LXV
 | | Structure of human 20S proteasome with bound MPI-5 | | Descriptor: | N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | | Authors: | Metcalfe, R.D, Morton, C.J, Liu, B, Xie, S.C, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-03-05 | | Release date: | 2021-09-22 | | Last modified: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7N1N
 | | Prx in complex with ComR DNA-binding domain | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ComR, Prx | | Authors: | Rutbeek, N.R, Prehna, G. | | Deposit date: | 2021-05-27 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular mechanism of quorum sensing inhibition in Streptococcus by the phage protein paratox.
J.Biol.Chem., 297, 2021
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