1WTG
 
 | | Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-biphenylalanine-Gln-p-aminobenzamidine | | Descriptor: | 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE), CALCIUM ION, Coagulation factor VII, ... | | Authors: | Kadono, S, Sakamoto, S, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Kitazawa, K, Yoshihashi, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Kodama, M, Haramura, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | | Deposit date: | 2004-11-23 | | Release date: | 2005-11-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel interactions of large P3 moiety and small P4 moiety in the binding of the peptide mimetic factor VIIa inhibitor
Biochem.Biophys.Res.Commun., 326, 2005
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5XYG
 | | Structure of 6-aminohexanoate-oligomer hydrolase from Arthrobacter sp. KI72. | | Descriptor: | CHLORIDE ION, Endotype 6-aminohexanoat-oligomer hydrolase, GLYCEROL, ... | | Authors: | Negoro, S, Shibata, N, Nagai, K, Higuchi, Y. | | Deposit date: | 2017-07-07 | | Release date: | 2018-11-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis of the correct subunit assembly, aggregation, and intracellular degradation of nylon hydrolase
Sci Rep, 8, 2018
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5XYS
 | | Structure of 6-aminohexanoate-oligomer hydrolase from Arthrobacter sp. KI72., D122V mutant | | Descriptor: | Endo-type 6-aminohexanoate oligomer hydrolase, GLYCEROL, PHOSPHATE ION | | Authors: | Negoro, S, Shibata, N, Nagai, K, Higuchi, Y. | | Deposit date: | 2017-07-10 | | Release date: | 2018-11-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Structural basis of the correct subunit assembly, aggregation, and intracellular degradation of nylon hydrolase
Sci Rep, 8, 2018
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5Y0L
 | | Structure of 6-aminohexanoate-oligomer hydrolase from Arthrobacter sp. KI72., D122G/H130Y mutant | | Descriptor: | Endo-type 6-aminohexanoate oligomer hydrolase, GLYCEROL, SODIUM ION, ... | | Authors: | Negoro, S, Shibata, N, Nagai, K, Higuchi, Y. | | Deposit date: | 2017-07-18 | | Release date: | 2018-07-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.385 Å) | | Cite: | Structural basis of the correct subunit assembly, aggregation, and intracellular degradation of nylon hydrolase
Sci Rep, 8, 2018
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4YTY
 | | Structure of rat xanthine oxidoreductase, C535A/C992R/C1324S, NADH bound form | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BICARBONATE ION, CALCIUM ION, ... | | Authors: | Nishino, T, Okamoto, K, Kawaguchi, Y, Matsumura, T, Eger, B.T, Pai, E.F. | | Deposit date: | 2015-03-18 | | Release date: | 2015-04-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The C-terminal peptide plays a role in the formation of an intermediate form during the transition between xanthine dehydrogenase and xanthine oxidase.
Febs J., 282, 2015
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5Y0M
 | | Structure of 6-aminohexanoate-oligomer hydrolase from Arthrobacter sp. KI72., D36A/D122G/H130Y/E263Q mutant | | Descriptor: | CHLORIDE ION, Endo-type 6-aminohexanoate oligomer hydrolase, GLYCEROL, ... | | Authors: | Negoro, S, Shibata, N, Nagai, K, Higuchi, Y. | | Deposit date: | 2017-07-18 | | Release date: | 2018-07-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Structural basis of the correct subunit assembly, aggregation, and intracellular degradation of nylon hydrolase
Sci Rep, 8, 2018
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5XYQ
 | | Structure of 6-aminohexanoate-oligomer hydrolase from Arthrobacter sp. KI72., D122K mutant | | Descriptor: | Endo-type 6-aminohexanoate oligomer hydrolase, GLYCEROL, PHOSPHATE ION | | Authors: | Negoro, S, Shibata, N, Nagai, K, Higuchi, Y. | | Deposit date: | 2017-07-10 | | Release date: | 2018-11-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural basis of the correct subunit assembly, aggregation, and intracellular degradation of nylon hydrolase
Sci Rep, 8, 2018
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4P7W
 | | L-proline-bound L-proline cis-4-hydroxylase | | Descriptor: | 2-OXOGLUTARIC ACID, COBALT (II) ION, L-proline cis-4-hydroxylase, ... | | Authors: | Shomura, Y, Koketsu, K, Moriwaki, K, Hayashi, M, Mitsuhashi, S, Hara, R, Kino, K, Higuchi, Y. | | Deposit date: | 2014-03-28 | | Release date: | 2014-09-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Refined Regio- and Stereoselective Hydroxylation of l-Pipecolic Acid by Protein Engineering of l-Proline cis-4-Hydroxylase Based on the X-ray Crystal Structure.
Acs Synth Biol, 4, 2015
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5Y4N
 | | Crystal structure of aerobically purified and anaerobically crystallized D. vulgaris Miyazaki F [NiFe]-hydrogenase | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Nishikawa, K, Mochida, S, Hiromoto, T, Shibata, N, Higuchi, Y. | | Deposit date: | 2017-08-04 | | Release date: | 2018-08-08 | | Last modified: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Ni-elimination from the active site of the standard [NiFe]‐hydrogenase upon oxidation by O2.
J.Inorg.Biochem., 177, 2017
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1WUN
 | | Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-Trp-Gln-p-aminobenzamidine | | Descriptor: | CALCIUM ION, Coagulation factor VII, N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE, ... | | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Yoshihashi, K, Kitazawa, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | | Deposit date: | 2004-12-08 | | Release date: | 2005-12-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based design of P3 moieties in the peptide mimetic factor VIIa inhibitor
Biochem.Biophys.Res.Commun., 327, 2005
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1WSS
 | | Human Factor Viia-Tissue Factor in Complex with peptide-mimetic inhibitor that has two charged groups in P2 and P4 | | Descriptor: | CALCIUM ION, Coagulation factor VII, N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-5-IMINOORNITHINAMIDE, ... | | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | | Deposit date: | 2004-11-10 | | Release date: | 2005-11-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of human factor VIIa/tissue factor in complex with a peptide-mimetic inhibitor: high selectivity against thrombin by introducing two charged groups in P2 and P4.
Acta Crystallogr.,Sect.F, 61, 2005
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1WR5
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1WV7
 | | Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-5-propoxy-Trp-Gln-p-aminobenzamidine | | Descriptor: | CALCIUM ION, Coagulation factor VII, N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDE, ... | | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Yoshihashi, K, Kitazawa, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | | Deposit date: | 2004-12-11 | | Release date: | 2005-12-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based design of P3 moieties in the peptide mimetic factor VIIa inhibitor
Biochem.Biophys.Res.Commun., 327, 2005
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4LM5
 | | Crystal structure of Pim1 in complex with 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol (resulting from displacement of SKF86002) | | Descriptor: | 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol, GLYCEROL, Serine/threonine-protein kinase pim-1 | | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2013-07-10 | | Release date: | 2014-02-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
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4P7X
 | | L-pipecolic acid-bound L-proline cis-4-hydroxylase | | Descriptor: | (2S)-piperidine-2-carboxylic acid, 2-OXOGLUTARIC ACID, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ... | | Authors: | Shomura, Y, Koketsu, K, Moriwaki, K, Hayashi, M, Mitsuhashi, S, Hara, R, Kino, K, Higuchi, Y. | | Deposit date: | 2014-03-28 | | Release date: | 2014-09-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Refined Regio- and Stereoselective Hydroxylation of l-Pipecolic Acid by Protein Engineering of l-Proline cis-4-Hydroxylase Based on the X-ray Crystal Structure.
Acs Synth Biol, 4, 2015
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3AQG
 | | Crystal structure of human pancreatic secretory protein ZG16b | | Descriptor: | PHOSPHATE ION, Zymogen granule protein 16 homolog B | | Authors: | Kanagawa, M, Satoh, T, Nakano, Y, Kojima-Aikawa, K, Yamaguchi, Y. | | Deposit date: | 2010-11-01 | | Release date: | 2010-12-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structures of human secretory proteins ZG16p and ZG16b reveal a Jacalin-related beta-prism fold
Biochem.Biophys.Res.Commun., 2010
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5ZE9
 | | Crystal structure of AMP-PNP bound mutant A3B3 complex from Enterococcus hirae V-ATPase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Maruyama, S, Suzuki, K, Sasaki, H, Mizutani, K, Saito, Y, Imai, F.L, Ishizuka-Katsura, Y, Shirouzu, M, Ichiro, Y, Murata, T. | | Deposit date: | 2018-02-27 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Metastable asymmetrical structure of a shaftless V1motor.
Sci Adv, 5, 2019
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4YSW
 | | Structure of rat xanthine oxidoreductase, C-terminal deletion protein variant, NADH bound form | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BICARBONATE ION, CALCIUM ION, ... | | Authors: | Nishino, T, Okamoto, K, Kawaguchi, Y, Matsumura, T, Eger, B.T, Pai, E.F. | | Deposit date: | 2015-03-17 | | Release date: | 2015-04-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The C-terminal peptide plays a role in the formation of an intermediate form during the transition between xanthine dehydrogenase and xanthine oxidase.
Febs J., 282, 2015
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4YTZ
 | | Rat xanthine oxidoreductase, C-terminal deletion protein variant, crystal grown without dithiothreitol | | Descriptor: | BICARBONATE ION, CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Nishino, T, Okamoto, K, Kawaguchi, Y, Matsumura, T, Eger, B.T, Pai, E.F, Nishino, T. | | Deposit date: | 2015-03-18 | | Release date: | 2015-04-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The C-terminal peptide plays a role in the formation of an intermediate form during the transition between xanthine dehydrogenase and xanthine oxidase
Febs J., 282, 2015
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5ZEA
 | | Crystal structure of the nucleotide-free mutant A3B3 | | Descriptor: | GLYCEROL, V-type sodium ATPase catalytic subunit A, V-type sodium ATPase subunit B | | Authors: | Maruyama, S, Suzuki, K, Mizutani, K, Saito, Y, Imai, F.L, Ishizuka-Katsura, Y, Shirouzu, M, Ichiro, Y, Murata, T. | | Deposit date: | 2018-02-27 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.384 Å) | | Cite: | Metastable asymmetrical structure of a shaftless V1motor.
Sci Adv, 5, 2019
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3AYX
 | | Membrane-bound respiratory [NiFe] hydrogenase from Hydrogenovibrio marinus in an H2-reduced condition | | Descriptor: | CARBON MONOXIDE, CYANIDE ION, FE (II) ION, ... | | Authors: | Shomura, Y, Yoon, K.S, Nishihara, H, Higuchi, Y. | | Deposit date: | 2011-05-20 | | Release date: | 2011-10-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Structural basis for a [4Fe-3S] cluster in the oxygen-tolerant membrane-bound [NiFe]-hydrogenase
Nature, 479, 2011
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4LMU
 | | Crystal structure of Pim1 in complex with the inhibitor Quercetin (resulting from displacement of SKF86002) | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, GLYCEROL, Serine/threonine-protein kinase pim-1 | | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2013-07-11 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
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1VGN
 | | Structure-based design of the irreversible inhibitors to metallo--lactamase (IMP-1) | | Descriptor: | 3-OXO-3-[(3-OXOPROPYL)SULFANYL]PROPANE-1-THIOLATE, ACETIC ACID, Beta-lactamase IMP-1, ... | | Authors: | Kurosaki, H, Yamaguchi, Y, Higashi, T, Soga, K, Matsueda, S, Misumi, S, Yamagata, Y, Arakawa, Y, Goto, M. | | Deposit date: | 2004-04-27 | | Release date: | 2005-06-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Irreversible Inhibition of Metallo-beta-lactamase (IMP-1) by 3-(3-Mercaptopropionylsulfanyl)propionic Acid Pentafluorophenyl Ester
Angew.Chem.Int.Ed.Engl., 44, 2005
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3AYZ
 | | Membrane-bound respiratory [NiFe] hydrogenase from Hydrogenovibrio marinus in an air-oxidized condition | | Descriptor: | CARBON MONOXIDE, CYANIDE ION, FE (II) ION, ... | | Authors: | Shomura, Y, Yoon, K.S, Nishihara, H, Higuchi, Y. | | Deposit date: | 2011-05-20 | | Release date: | 2011-10-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Structural basis for a [4Fe-3S] cluster in the oxygen-tolerant membrane-bound [NiFe]-hydrogenase
Nature, 479, 2011
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7VU6
 | | The crystal structure of SARS-CoV-2 3CL protease in complex with compound 3 | | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | Authors: | Yamamoto, S, Yamane, J, Tachibana, Y. | | Deposit date: | 2021-11-01 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19.
J.Med.Chem., 65, 2022
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