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1QGI
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BU of 1qgi by Molmil
CHITOSANASE FROM BACILLUS CIRCULANS
Descriptor: 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (CHITOSANASE), SULFATE ION
Authors:Saito, J, Kita, A, Higuchi, Y, Nagata, Y, Ando, A, Miki, K.
Deposit date:1999-04-28
Release date:1999-10-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of chitosanase from Bacillus circulans MH-K1 at 1.6-A resolution and its substrate recognition mechanism.
J.Biol.Chem., 274, 1999
2Z6I
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BU of 2z6i by Molmil
Crystal Structure of S. pneumoniae Enoyl-Acyl Carrier Protein Reductase (FabK)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Saito, J, Yamada, M, Watanabe, T, Takeuchi, Y.
Deposit date:2007-08-01
Release date:2008-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of enoyl-acyl carrier protein reductase (FabK) from Streptococcus pneumoniae reveals the binding mode of an inhibitor.
Protein Sci., 17, 2008
2Z6J
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BU of 2z6j by Molmil
Crystal Structure of S. pneumoniae Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex with an Inhibitor
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID, CALCIUM ION, ...
Authors:Saito, J, Yamada, M, Watanabe, T, Takeuchi, Y.
Deposit date:2007-08-01
Release date:2008-04-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of enoyl-acyl carrier protein reductase (FabK) from Streptococcus pneumoniae reveals the binding mode of an inhibitor.
Protein Sci., 17, 2008
3WXC
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BU of 3wxc by Molmil
Crystal Structure of IMP-1 metallo-beta-lactamase complexed with a 3-aminophtalic acid inhibitor
Descriptor: 3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid, Beta-lactamase, ZINC ION
Authors:Saito, J, Watanabe, T, Yamada, M.
Deposit date:2014-07-29
Release date:2014-10-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray crystallographic analysis of IMP-1 metallo-beta-lactamase complexed with a 3-aminophthalic acid derivative, structure-based drug design, and synthesis of 3,6-disubstituted phthalic acid derivative inhibitors
Bioorg.Med.Chem.Lett., 24, 2014
3AVE
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BU of 3ave by Molmil
Crystal Structure of the Fucosylated Fc Fragment from Human Immunoglobulin G1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region, ZINC ION
Authors:Matsumiya, S, Yamaguchi, Y, Saito, J, Nagano, M, Sasakawa, H, Otaki, S, Satoh, M, Shitara, K, Kato, K.
Deposit date:2011-03-04
Release date:2011-04-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Corrigendum to "Structural Comparison of Fucosylated and Nonfucosylated Fc Fragments of Human Immunoglobulin G1" [J. Mol. Biol. 386/3 (2007) 767-779]
J.Mol.Biol., 408, 2011
5ETY
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BU of 5ety by Molmil
Crystal Structure of human Tankyrase-1 bound to K-756
Descriptor: 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one, Tankyrase-1, ZINC ION
Authors:Takahashi, Y, Miyagi, H, Suzuki, M, Saito, J.
Deposit date:2015-11-18
Release date:2016-06-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Discovery and Characterization of K-756, a Novel Wnt/ beta-Catenin Pathway Inhibitor Targeting Tankyrase
Mol.Cancer Ther., 15, 2016
3VOT
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BU of 3vot by Molmil
Crystal structure of L-amino acid ligase from Bacillus licheniformis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ...
Authors:Suzuki, M, Takahashi, Y, Noguchi, A, Arai, T, Yagasaki, M, Kino, K, Saito, J.
Deposit date:2012-02-08
Release date:2012-11-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of L-amino-acid ligase from Bacillus licheniformis
Acta Crystallogr.,Sect.D, 68, 2012
2D05
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BU of 2d05 by Molmil
Chitosanase From Bacillus circulans mutant K218P
Descriptor: Chitosanase, SULFATE ION
Authors:Fukamizo, T, Amano, S, Yamaguchi, K, Yoshikawa, T, Katsumi, T, Saito, J, Suzuki, M, Miki, K, Nagata, Y, Ando, A.
Deposit date:2005-07-25
Release date:2005-12-06
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Bacillus circulans MH-K1 Chitosanase: Amino Acid Residues Responsible for Substrate Binding
J.Biochem.(Tokyo), 138, 2005
2DTS
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BU of 2dts by Molmil
Crystal Structure of the Defucosylated Fc Fragment from Human Immunoglobulin G1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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-(1-6)-[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, Ig gamma-1 chain C region
Authors:Matsumiya, S, Yamaguchi, Y, Saito, J, Nagano, M, Sasakawa, H, Otaki, S, Satoh, M, Shitara, K, Kato, K.
Deposit date:2006-07-14
Release date:2007-03-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural comparison of fucosylated and nonfucosylated fc fragments of human immunoglobulin g1
J.Mol.Biol., 368, 2007
5HWA
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BU of 5hwa by Molmil
Crystal Structure of MH-K1 chitosanase in substrate-bound form
Descriptor: 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CACODYLATE ION, ...
Authors:Suzuki, M, Saito, A, Ando, A, Miki, K, Saito, J.
Deposit date:2016-01-29
Release date:2017-02-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of the GH-46 subclass III chitosanase from Bacillus circulans MH-K1 in complex with chitotetraose
Biomed.Biochim.Acta, 1868, 2024
8GNG
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BU of 8gng by Molmil
Crystal structure of human adenosine A2A receptor in complex with istradefylline.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione, Adenosine receptor A2a, ...
Authors:Suzuki, M, Saito, J, Miyagi, H, Yasunaga, M.
Deposit date:2022-08-23
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:In Vitro Pharmacological Profile of KW-6356, a Novel Adenosine A 2A Receptor Antagonist/Inverse Agonist.
Mol.Pharmacol., 103, 2023
8GNE
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BU of 8gne by Molmil
Crystal structure of human adenosine A2A receptor in complex with an insurmountable inverse agonist, KW-6356.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Adenosine receptor A2a,Soluble cytochrome b562, ...
Authors:Suzuki, M, Saito, J, Miyagi, H, Yasunaga, M.
Deposit date:2022-08-23
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:In Vitro Pharmacological Profile of KW-6356, a Novel Adenosine A 2A Receptor Antagonist/Inverse Agonist.
Mol.Pharmacol., 103, 2023
7C6B
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BU of 7c6b by Molmil
Crystal structure of Ago2 MID domain in complex with 6-(3-(2-carboxyethyl)phenyl)purine riboside monophosphate
Descriptor: 3-[3-[9-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]phenyl]propanoic acid, PHOSPHATE ION, Protein argonaute-2
Authors:Suzuki, M, Takahashi, Y, Saito, J, Miyagi, H, Shinohara, F.
Deposit date:2020-05-21
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:siRNA potency enhancement via chemical modifications of nucleotide bases at the 5'-end of the siRNA guide strand.
Rna, 27, 2021
6AD9
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BU of 6ad9 by Molmil
Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-9
Descriptor: 12-mer peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one, Peroxisome proliferator-activated receptor gamma
Authors:Takahashi, Y, Suzuki, M, Yamamoto, K, Saito, J.
Deposit date:2018-07-31
Release date:2018-11-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Development of Dihydrodibenzooxepine Peroxisome Proliferator-Activated Receptor (PPAR) Gamma Ligands of a Novel Binding Mode as Anticancer Agents: Effective Mimicry of Chiral Structures by Olefinic E/ Z-Isomers.
J. Med. Chem., 61, 2018
7D7U
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BU of 7d7u by Molmil
Crystal structure of Ago2 MID domain in complex with 8-Br-adenosin-5'-monophosphate
Descriptor: 8-BROMO-ADENOSINE-5'-MONOPHOSPHATE, Protein argonaute-2
Authors:Suzuki, M, Takahashi, Y, Saito, J, Miyagi, H, Shinohara, F.
Deposit date:2020-10-06
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:siRNA potency enhancement via chemical modifications of nucleotide bases at the 5'-end of the siRNA guide strand.
Rna, 27, 2021
7C6A
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BU of 7c6a by Molmil
Crystal structure of AT2R-BRIL and SRP2070_Fab complex
Descriptor: IgG Light Chain, IgG heavy chain, SAR1, ...
Authors:Suzuki, M, Miyagi, H, Asada, H, Yasunaga, M, Suno, C, Takahashi, Y, Saito, J, Iwata, S.
Deposit date:2020-05-21
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The discovery of a new antibody for BRIL-fused GPCR structure determination.
Sci Rep, 10, 2020
7CMM
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BU of 7cmm by Molmil
Crystal structure of TEAD1-YBD in complex with K-975
Descriptor: N-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide, Transcriptional enhancer factor TEF-1
Authors:Tsuji, Y, Suzuki, M, Yasunaga, M, Hamguchi, K, Saito, J.
Deposit date:2020-07-28
Release date:2021-02-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The novel potent TEAD inhibitor, K-975, inhibits YAP1/TAZ-TEAD protein-protein interactions and exerts an anti-tumor effect on malignant pleural mesothelioma.
Am J Cancer Res, 10, 2020
7C61
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BU of 7c61 by Molmil
Crystal structure of 5-HT1B-BRIL and SRP2070_Fab complex
Descriptor: 5-hydroxytryptamine receptor 1B,Soluble cytochrome b562,5-hydroxytryptamine receptor 1B, Ergotamine, IGG HEAVY CHAIN, ...
Authors:Suzuki, M, Miyagi, H, Asada, H, Yasunaga, M, Suno, C, Takahashi, Y, Saito, J, Iwata, S.
Deposit date:2020-05-21
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:The discovery of a new antibody for BRIL-fused GPCR structure determination.
Sci Rep, 10, 2020
7CE4
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BU of 7ce4 by Molmil
Tankyrase2 catalytic domain in complex with K-476
Descriptor: 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile, Poly [ADP-ribose] polymerase tankyrase-2, SULFATE ION, ...
Authors:Takahashi, Y, Suzuki, M, Saito, J.
Deposit date:2020-06-22
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The dual pocket binding novel tankyrase inhibitor K-476 enhances the efficacy of immune checkpoint inhibitor by attracting CD8 + T cells to tumors.
Am J Cancer Res, 11, 2021
6K0T
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BU of 6k0t by Molmil
Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-17
Descriptor: 3-[(1~{E})-1-[8-[(8-chloranyl-2-cyclopropyl-imidazo[1,2-a]pyridin-3-yl)methyl]-3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4~{H}-1,2,4-oxadiazol-5-one, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
Authors:Suzuki, M, Yamamoto, K, Takahashi, Y, Saito, J.
Deposit date:2019-05-07
Release date:2019-10-30
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Development of a novel class of peroxisome proliferator-activated receptor (PPAR) gamma ligands as an anticancer agent with a unique binding mode based on a non-thiazolidinedione scaffold.
Bioorg.Med.Chem., 27, 2019
7XRZ
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BU of 7xrz by Molmil
Crystal structure of BRIL and SRP2070_Fab complex
Descriptor: IGG HEAVY CHAIN, IGG LIGHT CHAIN, Soluble cytochrome b562
Authors:Suzuki, M, Miyagi, H, Yasunaga, M, Asada, H, Iwata, S, Saito, J.
Deposit date:2022-05-12
Release date:2023-05-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insight into an anti-BRIL Fab as a G-protein-coupled receptor crystallization chaperone.
Acta Crystallogr D Struct Biol, 79, 2023
3VMM
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BU of 3vmm by Molmil
Crystal structure of BacD, an L-amino acid dipeptide ligase from Bacillus subtilis
Descriptor: (2S)-3-[(S)-[(1R)-1-aminoethyl](phosphonooxy)phosphoryl]-2-benzylpropanoic acid, ADENOSINE-5'-DIPHOSPHATE, Alanine-anticapsin ligase BacD, ...
Authors:Shomura, Y, Higuchi, Y.
Deposit date:2011-12-14
Release date:2012-04-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and enzymatic characterization of BacD, an l-amino acid dipeptide ligase from Bacillus subtilis
Protein Sci., 2012
2Z2M
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BU of 2z2m by Molmil
Cefditoren-Acylated Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae
Descriptor: (2R)-2-[(1R)-1-{[(2Z)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ACETYL]AMINO}-2-OXOETHYL]-5-[(Z)-2-(4-METHYL-1,3-THIAZOL-5-YL)VINYL]-3,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID, Penicillin-binding protein 2X, SULFATE ION
Authors:Yamada, M, Watanabe, T, Takeuchi, Y.
Deposit date:2007-05-23
Release date:2007-09-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Cefditoren Complexed with Streptococcus pneumoniae Penicillin-Binding Protein 2X: Structural Basis for its High Antimicrobial Activity
Antimicrob.Agents Chemother., 51, 2007
2Z2L
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BU of 2z2l by Molmil
Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae
Descriptor: Penicillin-binding protein 2X, SULFATE ION
Authors:Yamada, M, Watanabe, T, Takeuchi, Y.
Deposit date:2007-05-23
Release date:2007-09-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structure of Cefditoren Complexed with Streptococcus pneumoniae Penicillin-Binding Protein 2X: Structural Basis for its High Antimicrobial Activity
Antimicrob.Agents Chemother., 51, 2007

217705

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