5GUE
| Crystal structure of CotB2 (GGSPP/Mg2+-Bound Form) from Streptomyces melanosporofaciens | Descriptor: | Cyclooctat-9-en-7-ol synthase, MAGNESIUM ION, phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid | Authors: | Tomita, T, Kim, S.-Y, Ozaki, T, Yoshida, A, Kuzuyama, T, Nishiyama, M. | Deposit date: | 2016-08-28 | Release date: | 2017-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights into the CotB2-Catalyzed Cyclization of Geranylgeranyl Diphosphate to the Diterpene Cyclooctat-9-en-7-ol ACS Chem. Biol., 12, 2017
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5GUC
| Crystal structure of CotB2 (apo form) from Streptomyces melanosporofaciens | Descriptor: | Cyclooctat-9-en-7-ol synthase, FORMIC ACID | Authors: | Tomita, T, Kim, S.-Y, Ozaki, T, Yoshida, A, Kuzuyama, T, Nishiyama, M. | Deposit date: | 2016-08-28 | Release date: | 2017-06-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights into the CotB2-Catalyzed Cyclization of Geranylgeranyl Diphosphate to the Diterpene Cyclooctat-9-en-7-ol ACS Chem. Biol., 12, 2017
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6JUX
| Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-71807 | Descriptor: | 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine, Activin receptor type-1, SULFATE ION | Authors: | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | Deposit date: | 2019-04-15 | Release date: | 2020-04-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis of Activin Receptor-Like Kinase 2 (R206H) Inhibition by Bis-heteroaryl Pyrazole-Based Inhibitors for the Treatment of Fibrodysplasia Ossificans Progressiva Identified by the Integration of Ligand-Based and Structure-Based Drug Design Approaches. Acs Omega, 5, 2020
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4PAZ
| OXIDIZED MUTANT P80A PSEUDOAZURIN FROM A. FAECALIS | Descriptor: | COPPER (II) ION, PSEUDOAZURIN | Authors: | Adman, E.T, Libeu, C.A.P. | Deposit date: | 1997-02-20 | Release date: | 1997-08-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences. Biochemistry, 36, 1997
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7CID
| Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | 1-[3-(4-chlorophenyl)propyl]imidazole, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CI4
| Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | (2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CIC
| Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | 2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CI9
| Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-azanyl-2-[[4-[2-[3-[[2-[(1S)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol, PHOSPHATE ION, ... | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CI5
| Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | (3R)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CIB
| Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | 2-oxidanyl-4-phenyl-benzoic acid, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CI7
| Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | (2R,3R)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CI8
| Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | (1S)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol, MAGNESIUM ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CIE
| Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | (2R)-2-azanyl-3-oxidanyl-N-[3-(trifluoromethyloxy)phenyl]propanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CIA
| Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | 4-HYDROXY-BENZOIC ACID METHYL ESTER, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CI6
| Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol, CHLORIDE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7C3G
| Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134 | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type-1, SULFATE ION, ... | Authors: | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | Deposit date: | 2020-05-12 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva. Bioorg.Med.Chem.Lett., 38, 2021
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3WWR
| Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1-((((1S,2R,6R,Z)-2,6-dihydroxy-4-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-3-methylenecyclohexyl)oxy)methyl)cyclopropanecarbonitrile | Descriptor: | 1-({[(1R,2S,3R,5Z,7E,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile, Vitamin D3 receptor | Authors: | Kakuda, S, Takimoto-Kamimura, M. | Deposit date: | 2014-06-27 | Release date: | 2014-12-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Synthesis and biological activities of vitamin D3 derivatives with cyanoalkyl side chain at C-2 position. J.Steroid Biochem.Mol.Biol., 148, 2015
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6IR4
| Crystal structure of BioU from Synechocystis sp.PCC6803 (apo form) | Descriptor: | Slr0355 protein | Authors: | Sakaki, K, Oishi, K, Shimizu, T, Tomita, T, Kuzuyama, T, Nishiyama, M. | Deposit date: | 2018-11-10 | Release date: | 2020-01-15 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A suicide enzyme catalyzes multiple reactions for biotin biosynthesis in cyanobacteria. Nat.Chem.Biol., 16, 2020
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6ITD
| Crystal structure of BioU (K124A) from Synechocystis sp.PCC6803 in complex with the analog of reaction intermediate, 3-(1-aminoethyl)-nonanedioic acid | Descriptor: | 3-(1-AMINOETHYL)NONANEDIOIC ACID, Slr0355 protein | Authors: | Sakaki, K, Tomita, T, Kuzuyama, T, Nishiyama, M. | Deposit date: | 2018-11-21 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A suicide enzyme catalyzes multiple reactions for biotin biosynthesis in cyanobacteria. Nat.Chem.Biol., 16, 2020
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6JPQ
| CryoEM structure of Abo1 hexamer - ADP complex | Descriptor: | Uncharacterized AAA domain-containing protein C31G5.19 | Authors: | Cho, C, Jang, J, Song, J.J. | Deposit date: | 2019-03-27 | Release date: | 2020-08-19 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.44 Å) | Cite: | Structural basis of nucleosome assembly by the Abo1 AAA+ ATPase histone chaperone. Nat Commun, 10, 2019
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6JPU
| CryoEM structure of Abo1 hexamer - apo complex | Descriptor: | Uncharacterized AAA domain-containing protein C31G5.19 | Authors: | Cho, C, Jang, J, Song, J.J. | Deposit date: | 2019-03-28 | Release date: | 2019-12-25 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.27 Å) | Cite: | Structural basis of nucleosome assembly by the Abo1 AAA+ ATPase histone chaperone. Nat Commun, 10, 2019
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6JQ0
| CryoEM structure of Abo1 Walker B (E372Q) mutant hexamer - ATP complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Uncharacterized AAA domain-containing protein C31G5.19, ... | Authors: | Cho, C, Jang, J, Song, J.J. | Deposit date: | 2019-03-28 | Release date: | 2019-12-25 | Last modified: | 2020-01-01 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Structural basis of nucleosome assembly by the Abo1 AAA+ ATPase histone chaperone. Nat Commun, 10, 2019
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6K36
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7CDG
| Crystal structure of LSD1-CoREST in complex with PRSFLVRRR peptide | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | Authors: | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | Deposit date: | 2020-06-19 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity. J.Med.Chem., 64, 2021
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7CDC
| Crystal structure of LSD1-CoREST in complex with PRSFLVRRP peptide | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | Authors: | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | Deposit date: | 2020-06-19 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity. J.Med.Chem., 64, 2021
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