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6IQG
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BU of 6iqg by Molmil
X-ray crystal structure of Fc and peptide complex
Descriptor: 18-mer peptide G(HCS)DCAYHRGELVWCT(HCS)H(NH2), 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, CHLORIDE ION, ...
Authors:Adachi, M, Ito, Y.
Deposit date:2018-11-08
Release date:2019-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:Site-Specific Chemical Conjugation of Antibodies by Using Affinity Peptide for the Development of Therapeutic Antibody Format.
Bioconjug. Chem., 30, 2019
6IQH
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BU of 6iqh by Molmil
X-ray crystal structure of covalent-bonded complex of Fc and peptide
Descriptor: 17-mer peptide (GPDCAYHKGELVWCTFH), 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, Immunoglobulin gamma-1 heavy chain
Authors:Adachi, M, Ito, Y.
Deposit date:2018-11-08
Release date:2019-02-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.999 Å)
Cite:Site-Specific Chemical Conjugation of Antibodies by Using Affinity Peptide for the Development of Therapeutic Antibody Format.
Bioconjug. Chem., 30, 2019
6HDE
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BU of 6hde by Molmil
Structure of Escherichia coli dUTPase Q93H mutant
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, MAGNESIUM ION
Authors:Benedek, A, Vertessy, B.G, Leveles, I.
Deposit date:2018-08-17
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The Role of a Key Amino Acid Position in Species-Specific Proteinaceous dUTPase Inhibition.
Biomolecules, 9, 2019
2AY8
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BU of 2ay8 by Molmil
AROMATIC AMINO ACID AMINOTRANSFERASE WITH 4-(2-THIENYL)BUTYRIC ACID
Descriptor: 4-(2-THIENYL)BUTYRIC ACID, AROMATIC AMINO ACID AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Okamoto, A, Hirotsu, K, Kagamiyama, H.
Deposit date:1998-08-06
Release date:1999-02-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The active site of Paracoccus denitrificans aromatic amino acid aminotransferase has contrary properties: flexibility and rigidity.
Biochemistry, 38, 1999
2AY9
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BU of 2ay9 by Molmil
AROMATIC AMINO ACID AMINOTRANSFERASE WITH 5-PHENYLVALERIC ACID
Descriptor: 5-PHENYLVALERIC ACID, AROMATIC AMINO ACID AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Okamoto, A, Hirotsu, K, Kagamiyama, H.
Deposit date:1998-08-06
Release date:1999-02-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The active site of Paracoccus denitrificans aromatic amino acid aminotransferase has contrary properties: flexibility and rigidity.
Biochemistry, 38, 1999
2AY6
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BU of 2ay6 by Molmil
AROMATIC AMINO ACID AMINOTRANSFERASE WITH 3-INDOLEBUTYRIC ACID
Descriptor: 3-INDOLEBUTYRIC ACID, AROMATIC AMINO ACID AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Okamoto, A, Hirotsu, K, Kagamiyama, H.
Deposit date:1998-08-06
Release date:1999-02-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The active site of Paracoccus denitrificans aromatic amino acid aminotransferase has contrary properties: flexibility and rigidity.
Biochemistry, 38, 1999
2AY4
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BU of 2ay4 by Molmil
AROMATIC AMINO ACID AMINOTRANSFERASE WITH 3-(P-TOLYL)PROPIONIC ACID
Descriptor: 3-(P-TOLYL)PROPIONIC ACID, AROMATIC AMINO ACID AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Okamoto, A, Hirotsu, K, Kagamiyama, H.
Deposit date:1998-08-06
Release date:1999-02-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The active site of Paracoccus denitrificans aromatic amino acid aminotransferase has contrary properties: flexibility and rigidity.
Biochemistry, 38, 1999
2AY1
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BU of 2ay1 by Molmil
AROMATIC AMINO ACID AMINOTRANSFERASE WITH 4-AMINOHYDROCINNAMIC ACID
Descriptor: 4-AMINOHYDROCINNAMIC ACID, AROMATIC AMINO ACID AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Okamoto, A, Hirotsu, K, Kagamiyama, H.
Deposit date:1998-08-06
Release date:1999-02-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The active site of Paracoccus denitrificans aromatic amino acid aminotransferase has contrary properties: flexibility and rigidity.
Biochemistry, 38, 1999
5XKM
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BU of 5xkm by Molmil
Crystal structure of human phosphodiesterase 2A in complex with 6-methyl-N-(1-(4-(trifluoromethoxy)phenyl)propyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Descriptor: 6-methyl-N-[(1R)-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, MAGNESIUM ION, ZINC ION, ...
Authors:Oki, H, Kondo, M, Snell, G, Lane, W.
Deposit date:2017-05-08
Release date:2017-08-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of an Orally Bioavailable, Brain-Penetrating, in Vivo Active Phosphodiesterase 2A Inhibitor Lead Series for the Treatment of Cognitive Disorders.
J. Med. Chem., 60, 2017
3VSY
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BU of 3vsy by Molmil
High-resolution crystal structure of wild-type KSI in the apo form at neutral pH
Descriptor: SULFATE ION, Steroid Delta-isomerase
Authors:Caaveiro, J.M.M, Kobe, A, Tsumoto, K.
Deposit date:2012-05-16
Release date:2013-02-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Incorporation of rapid thermodynamic data in fragment-based drug discovery.
J.Med.Chem., 56, 2013
3WYM
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BU of 3wym by Molmil
Crystal structure of the catalytic domain of PDE10A complexed with 1-(2-fluoro-4-(1H-pyrazol-1-yl)phenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one
Descriptor: 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Oki, H, Hayano, Y.
Deposit date:2014-09-01
Release date:2014-11-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor.
J.Med.Chem., 57, 2014
3WYK
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BU of 3wyk by Molmil
Crystal structure of the catalytic domain of PDE10A complexed with 3-(1-phenyl-1H-pyrazol-5-yl)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one
Descriptor: 3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Oki, H, Hayano, Y.
Deposit date:2014-09-01
Release date:2014-11-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor.
J.Med.Chem., 57, 2014
3WYL
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BU of 3wyl by Molmil
Crystal structure of the catalytic domain of PDE10A complexed with 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one
Descriptor: 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Oki, H, Hayano, Y.
Deposit date:2014-09-01
Release date:2014-11-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor.
J.Med.Chem., 57, 2014

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