7EHO
 
 | | Chitin oligosaccharide binding protein | | Descriptor: | Chitin oligosaccharide binding protein NagB2, TETRAETHYLENE GLYCOL | | Authors: | Itoh, T, Hibi, T, Kimoto, H. | | Deposit date: | 2021-03-30 | | Release date: | 2021-07-07 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural characterization of two solute-binding proteins for N,N' -diacetylchitobiose/ N,N',N'' -triacetylchitotoriose of the gram-positive bacterium, Paenibacillus sp. str. FPU-7.
J Struct Biol X, 5, 2021
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7EHU
 | | Chitin oligosaccharide binding protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitin oligosaccharide binding protein NagB2, DI(HYDROXYETHYL)ETHER | | Authors: | Itoh, T, Hibi, T, Kimoto, H. | | Deposit date: | 2021-03-30 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural characterization of two solute-binding proteins for N,N' -diacetylchitobiose/ N,N',N'' -triacetylchitotoriose of the gram-positive bacterium, Paenibacillus sp. str. FPU-7.
J Struct Biol X, 5, 2021
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7EHQ
 | | Chitin oligosaccharide binding protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitin oligosaccharide binding protein NagB2 | | Authors: | Itoh, T, Hibi, T, Kimoto, H. | | Deposit date: | 2021-03-30 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural characterization of two solute-binding proteins for N,N' -diacetylchitobiose/ N,N',N'' -triacetylchitotoriose of the gram-positive bacterium, Paenibacillus sp. str. FPU-7.
J Struct Biol X, 5, 2021
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4CKR
 | | Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1 | | Authors: | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Newman, J.A, Dixon-Clarke, S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2014-01-07 | | Release date: | 2014-01-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a Potent and Selective Ddr1 Receptor Tyrosine Kinase Inhibitor.
Acs Chem.Biol., 8, 2013
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2MSY
 | | Solution structure of Hox homeodomain | | Descriptor: | Homeobox protein Hox-C9 | | Authors: | Kim, H, Park, S, Han, J, Lee, B. | | Deposit date: | 2014-08-11 | | Release date: | 2015-09-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural insight into the interaction between the Hox and HMGB1 and understanding of the HMGB1-enhancing effect of Hox-DNA binding.
Biochim.Biophys.Acta, 1854, 2015
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3OUH
 | | PHD2-R127 with JNJ41536014 | | Descriptor: | 1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazole-4-carboxylic acid, Egl nine homolog 1, FE (II) ION, ... | | Authors: | Kim, H, Clark, R. | | Deposit date: | 2010-09-14 | | Release date: | 2010-12-01 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues.
ACS Med Chem Lett, 1, 2010
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8HEJ
 | | Crystal structure of Transthyretin in complex with a covalent inhibitor trans-styrylpyrazole | | Descriptor: | 2,4,6-trifluorobenzaldehyde, 2,6-dibromo-4-[(E)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethenyl]phenol, Transthyretin | | Authors: | Kim, H, Choi, S, Lee, C. | | Deposit date: | 2022-11-08 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Crystal structure of Transthyretin in complex with a covalent inhibitor trans-styrylpyrazole
To Be Published
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5B4O
 | | Crystal structure of Macrophage Migration Inhibitory Factor in complex with BTZO-14 | | Descriptor: | 1,2-ETHANEDIOL, 2-pyridin-3-yl-1,3-benzothiazin-4-one, Macrophage migration inhibitory factor, ... | | Authors: | Oki, H, Igaki, S, Moriya, Y, Hayano, Y, Habuka, N. | | Deposit date: | 2016-04-07 | | Release date: | 2016-04-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | BTZO-1, a cardioprotective agent, reveals that macrophage migration inhibitory factor regulates ARE-mediated gene expression
Chem. Biol., 17, 2010
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5X1U
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7P80
 | | Crystal structure of ClpP from Bacillus subtilis in complex with ADEP2 (compressed state) | | Descriptor: | ADEP2, ATP-dependent Clp protease proteolytic subunit | | Authors: | Lee, B.-G, Kim, L, Kim, M.K, Kwon, D.H, Song, H.K. | | Deposit date: | 2021-07-21 | | Release date: | 2022-06-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Structural insights into ClpP protease side exit pore-opening by a pH drop coupled with substrate hydrolysis.
Embo J., 41, 2022
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7P81
 | | Crystal structure of ClpP from Bacillus subtilis in complex with ADEP2 (compact state) | | Descriptor: | ADEP2, ATP-dependent Clp protease proteolytic subunit | | Authors: | Lee, B.-G, Kim, L, Kim, M.K, Kwon, D.H, Song, H.K. | | Deposit date: | 2021-07-21 | | Release date: | 2022-06-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structural insights into ClpP protease side exit pore-opening by a pH drop coupled with substrate hydrolysis.
Embo J., 41, 2022
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5X1H
 | | Structure of Legionella pneumophila DotN | | Descriptor: | IcmJ (DotN), ZINC ION | | Authors: | Kwak, M.J, Oh, B.H. | | Deposit date: | 2017-01-26 | | Release date: | 2017-06-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.005 Å) | | Cite: | Architecture of the type IV coupling protein complex of Legionella pneumophila
Nat Microbiol, 2, 2017
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7LAW
 | | crystal structure of GITR complex with GITR-L | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18 | | Authors: | Longenecker, K.L, Rogers, B, Bigelow, L, Judge, R.A, Alvarez, H. | | Deposit date: | 2021-01-07 | | Release date: | 2022-03-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.752 Å) | | Cite: | An anti-PD-1-GITR-L bispecific agonist induces GITR clustering-mediated T cell activation for cancer immunotherapy.
Nat Cancer, 3, 2022
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9BHI
 | | Crystal structure of the MerTK kinase domain with SA4488 | | Descriptor: | (5P)-2-amino-5-(1-methyl-1H-pyrazol-4-yl)-N-{(1R,2S)-2-[(4'-{2-[4-(2-oxoethyl)piperazin-1-yl]propan-2-yl}[1,1'-biphenyl]-4-yl)methoxy]cyclopentyl}pyridine-3-carboxamide, CHLORIDE ION, Mer tyrosine kinase domain | | Authors: | Jakob, C.G, Qui, W, Jain, R. | | Deposit date: | 2024-04-20 | | Release date: | 2024-10-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Discovery of A-910, a Highly Potent and Orally Bioavailable Dual MerTK/Axl-Selective Tyrosine Kinase Inhibitor.
J.Med.Chem., 67, 2024
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6LHW
 | | Structure of N-terminal and C-terminal domains of FANCA | | Descriptor: | Fanconi anemia complementation group A | | Authors: | Jeong, E, Lee, S, Shin, J, Kim, Y, Kim, J, Scharer, O, Kim, Y, Kim, H, Cho, Y. | | Deposit date: | 2019-12-10 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.84 Å) | | Cite: | Structural basis of the fanconi anemia-associated mutations within the FANCA and FANCG complex.
Nucleic Acids Res., 48, 2020
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6LHV
 | | Structure of FANCA and FANCG Complex | | Descriptor: | Fanconi anemia complementation group A, Fanconi anemia complementation group G | | Authors: | Jeong, E, Lee, S, Shin, J, Kim, Y, Scharer, O, Kim, Y, Kim, H, Cho, Y. | | Deposit date: | 2019-12-10 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.59 Å) | | Cite: | Structural basis of the fanconi anemia-associated mutations within the FANCA and FANCG complex.
Nucleic Acids Res., 48, 2020
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6LKS
 | | Effects of zinc ion on oligomerization and pH stability of influenza virus hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Seok, J, Kim, K. | | Deposit date: | 2019-12-20 | | Release date: | 2020-10-21 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | Divalent cation-induced conformational changes of influenza virus hemagglutinin.
Sci Rep, 10, 2020
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6TS4
 | | Coagulation factor XI protease domain in complex with active site inhibitor | | Descriptor: | 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ... | | Authors: | Renatus, M, Schiering, N. | | Deposit date: | 2019-12-19 | | Release date: | 2020-07-08 | | Last modified: | 2020-08-26 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
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6TS7
 | | Coagulation factor XI protease domain in complex with active site inhibitor | | Descriptor: | 2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid, Coagulation factor XI | | Authors: | Renatus, M, Schiering, N. | | Deposit date: | 2019-12-20 | | Release date: | 2020-07-08 | | Last modified: | 2020-08-26 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
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2Q8A
 | | Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody | | Descriptor: | 1F9 heavy chain, 1F9 light chain, Apical membrane antigen 1 | | Authors: | Gupta, A, Murphy, V.J, Anders, R.F, Batchelor, A.H. | | Deposit date: | 2007-06-10 | | Release date: | 2007-10-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody.
PLoS Pathog., 3, 2007
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2Q8B
 | | Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody | | Descriptor: | 1F9 heavy chain, 1F9 light chain, Apical membrane antigen 1 | | Authors: | Gupta, A, Murphy, V.J, Anders, R.F, Batchelor, A.H. | | Deposit date: | 2007-06-10 | | Release date: | 2007-10-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Malaria Antigen AMA1 in Complex with a Growth-Inhibitory Antibody
Plos Pathog., 3, 2007
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4UIP
 | | The complex structure of extracellular domain of EGFR with Repebody (rAC1). | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, EPIDERMAL GROWTH FACTOR RECEPTOR, ... | | Authors: | Kang, Y.J, Cha, Y.J, Cho, H.S, Lee, J.J, Kim, H.S. | | Deposit date: | 2015-03-31 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Enzymatic Prenylation and Oxime Ligation for the Synthesis of Stable and Homogeneous Protein-Drug Conjugates for Targeted Therapy.
Angew.Chem.Int.Ed.Engl., 54, 2015
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6RMH
 | | The Rigid-body refined model of the normal Huntingtin. | | Descriptor: | Huntingtin | | Authors: | Jung, T, Tamo, G, Dal Perraro, M, Hebert, H, Song, J. | | Deposit date: | 2019-05-06 | | Release date: | 2020-06-03 | | Last modified: | 2020-12-16 | | Method: | ELECTRON MICROSCOPY (9.6 Å) | | Cite: | The Polyglutamine Expansion at the N-Terminal of Huntingtin Protein Modulates the Dynamic Configuration and Phosphorylation of the C-Terminal HEAT Domain.
Structure, 28, 2020
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6T7P
 | | human plasmakallikrein protease domain in complex with active site directed inhibitor | | Descriptor: | (2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | | Authors: | Renatus, M. | | Deposit date: | 2019-10-22 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.416 Å) | | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
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6TS5
 | | Coagulation factor XI protease domain in complex with active site inhibitor | | Descriptor: | 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ... | | Authors: | Renatus, M, Schiering, N. | | Deposit date: | 2019-12-20 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
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