2ZYE
 
 | | Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by Neutron Crystallography | | Descriptor: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, protease | | Authors: | Adachi, M, Ohhara, T, Tamada, T, Okazaki, N, Kuroki, R. | | Deposit date: | 2009-01-20 | | Release date: | 2009-03-24 | | Last modified: | 2024-05-29 | | Method: | NEUTRON DIFFRACTION (1.9 Å) | | Cite: | Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography.
Proc.Natl.Acad.Sci.USA, 2009
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6KSL
 | | Staphylococcus aureus lipase - S116A inactive mutant | | Descriptor: | CALCIUM ION, LAURIC ACID, Lipase 2, ... | | Authors: | Kitadokoro, K, Tanaka, M, Kamitani, S. | | Deposit date: | 2019-08-24 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal structure of pathogenic Staphylococcus aureus lipase complex with the anti-obesity drug orlistat.
Sci Rep, 10, 2020
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7CQD
 | | The NZ-1 Fab complexed with the PDZ tandem fragment of A. aeolicus S2P homolog with the PA14 tag inserted between the residues 235 and 236 | | Descriptor: | Heavy chain of antigen binding fragment, Fab of NZ-1, Light chain of antigen binding fragment, ... | | Authors: | Tamura-Sakaguchi, R, Aruga, R, Nogi, T. | | Deposit date: | 2020-08-10 | | Release date: | 2021-05-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Moving toward generalizable NZ-1 labeling for 3D structure determination with optimized epitope-tag insertion.
Acta Crystallogr D Struct Biol, 77, 2021
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7CQC
 | | The NZ-1 Fab complexed with the PDZ tandem fragment of A. aeolicus S2P homolog with the PA14 tag inserted between the residues 181 and 184 | | Descriptor: | Heavy chain of antigen binding fragment, Fab of NZ-1, Light chain of antigen binding fragment, ... | | Authors: | Aruga, R, Tamura-Sakaguchi, R, Nogi, T. | | Deposit date: | 2020-08-10 | | Release date: | 2021-05-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Moving toward generalizable NZ-1 labeling for 3D structure determination with optimized epitope-tag insertion.
Acta Crystallogr D Struct Biol, 77, 2021
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7WM4
 | | Cryo-EM structure of tetrameric TLR3 in complex with dsRNA (90 bp) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, RNA (81-MER), ... | | Authors: | Sakaniwa, K, Ohto, U, Shimizu, T. | | Deposit date: | 2022-01-14 | | Release date: | 2023-01-25 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | TLR3 forms a laterally aligned multimeric complex along double-stranded RNA for efficient signal transduction.
Nat Commun, 14, 2023
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5B41
 | | Crystal structure of VDR-LBD complexed with 2-methylidene-19-nor-1a,25-dihydroxyvitamin D3 | | Descriptor: | (1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Anami, Y, Itoh, T, Yamamoto, K. | | Deposit date: | 2016-03-23 | | Release date: | 2016-12-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Apo- and Antagonist-Binding Structures of Vitamin D Receptor Ligand-Binding Domain Revealed by Hybrid Approach Combining Small-Angle X-ray Scattering and Molecular Dynamics
J.Med.Chem., 59, 2016
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8K5C
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8K5D
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8K5B
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8K7Q
 | | Staphylococcus aureus lipase S116A inactive mutant-PSA complex | | Descriptor: | ACETIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kitadokoro, J, Kamitani, S, Kitadokoro, K. | | Deposit date: | 2023-07-27 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Crystal structure of Staphylococcus aureus lipase complex with unsaturated petroselinic acid.
Febs Open Bio, 14, 2024
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8K7P
 | | Staphylococcus aureus lipase -PSA complex | | Descriptor: | ACETIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kitadokoro, J, Kamitani, S, Kitadokoro, K. | | Deposit date: | 2023-07-27 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Crystal structure of Staphylococcus aureus lipase complex with unsaturated petroselinic acid.
Febs Open Bio, 14, 2024
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3X27
 | | Structure of McbB in complex with tryptophan | | Descriptor: | Cucumopine synthase, TRYPTOPHAN | | Authors: | Mori, T, Sahashi, S, Morita, H, Abe, I. | | Deposit date: | 2014-12-10 | | Release date: | 2015-10-28 | | Last modified: | 2015-11-04 | | Method: | X-RAY DIFFRACTION (2.481 Å) | | Cite: | Structural Basis for beta-Carboline Alkaloid Production by the Microbial Homodimeric Enzyme McbB
Chem.Biol., 22, 2015
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6KSV
 | | Crystal structure of SurE with D-Leu | | Descriptor: | Alpha/beta hydrolase, D-LEUCINE, S-(2-acetamidoethyl) (2R)-2-azanyl-4-methyl-pentanethioate, ... | | Authors: | Zhai, R, Mori, T, Abe, I. | | Deposit date: | 2019-08-26 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Heterochiral coupling in non-ribosomal peptide macrolactamization
Nat Catal, 2020
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6KSU
 | | Crystal structure of SurE | | Descriptor: | Alpha/beta hydrolase, MALONATE ION, SULFATE ION, ... | | Authors: | Zhai, R, Mori, T, Abe, I. | | Deposit date: | 2019-08-26 | | Release date: | 2020-06-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Heterochiral coupling in non-ribosomal peptide macrolactamization
Nat Catal, 2020
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1L3H
 | | NMR structure of P41icf, a potent inhibitor of human cathepsin L | | Descriptor: | MHC CLASS II-ASSOCIATED P41 INVARIANT CHAIN FRAGMENT (P41icf) | | Authors: | Chiva, C, Barthe, P, Codina, A, Giralt, E. | | Deposit date: | 2002-02-27 | | Release date: | 2003-03-04 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Synthesis and NMR structure of P41ICF, a potent inhibitor of human cathepsin L
J.Am.Chem.Soc., 125, 2003
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7BXX
 | | Tetanus neurotoxin translocation domain -C467S | | Descriptor: | Tetanus toxin | | Authors: | Zhang, C.M, Imoto, Y, Fukuda, Y, Yamashita, E, Inoue, T. | | Deposit date: | 2020-04-21 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-29 | | Method: | SOLUTION SCATTERING (2.34 Å), X-RAY DIFFRACTION | | Cite: | Structural flexibility of the tetanus neurotoxin revealed by crystallographic and solution scattering analyses.
J Struct Biol X, 5, 2021
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7BY4
 | | Tetanus neurotoxin receptor binding domain | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SODIUM ION, ... | | Authors: | Zhang, C.M, Imoto, Y, Inoue, T. | | Deposit date: | 2020-04-21 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural flexibility of the tetanus neurotoxin revealed by crystallographic and solution scattering analyses.
J Struct Biol X, 5, 2021
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7BY5
 | | Tetanus neurotoxin mutant-(H233A/E234Q/H237A/Y375F) | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Zhang, C.M, Imoto, Y, Fukuda, Y, Yamashita, E, Inoue, T. | | Deposit date: | 2020-04-21 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural flexibility of the tetanus neurotoxin revealed by crystallographic and solution scattering analyses.
J Struct Biol X, 5, 2021
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457D
 | | MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGMO6AATTCGCG): N6-METHOXYADENOSINE/ THYMIDINE BASE-PAIRS IN B-DNA | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*(A47)P*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Chatake, T, Ono, A, Ueno, Y, Matsuda, A, Takenaka, A. | | Deposit date: | 1999-03-06 | | Release date: | 2000-01-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic studies on damaged DNAs. II. N(6)-methoxyadenine can present two alternate faces for Watson-Crick base-pairing, leading to pyrimidine transition mutagenesis.
J.Mol.Biol., 294, 1999
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6A6T
 | | Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans with R61G mutation | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine: oxygen oxidoreductase, ... | | Authors: | Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K. | | Deposit date: | 2018-06-29 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis.
Sci Rep, 9, 2019
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6A6V
 | | Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans with 7 additional mutations, in complex with FSA | | Descriptor: | 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine: oxygen oxidoreductase | | Authors: | Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K. | | Deposit date: | 2018-06-29 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis.
Sci Rep, 9, 2019
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6A6R
 | | Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans, Seleno-methionine Derivative | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine: oxygen oxidoreductase, ... | | Authors: | Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K. | | Deposit date: | 2018-06-29 | | Release date: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (2.609 Å) | | Cite: | Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis.
Sci Rep, 9, 2019
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6A6U
 | | Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans with R61G mutation, in complex with FSA | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K. | | Deposit date: | 2018-06-29 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.945 Å) | | Cite: | Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis.
Sci Rep, 9, 2019
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6A6S
 | | Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans in complex with FSA, Seleno-methionine Derivative | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K. | | Deposit date: | 2018-06-29 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis.
Sci Rep, 9, 2019
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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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