1BWV
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![BU of 1bwv by Molmil](/molmil-images/mine/1bwv) | Activated Ribulose 1,5-Bisphosphate Carboxylase/Oxygenase (RUBISCO) Complexed with the Reaction Intermediate Analogue 2-Carboxyarabinitol 1,5-Bisphosphate | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, PROTEIN (RIBULOSE BISPHOSPHATE CARBOXYLASE) | Authors: | Sugawara, H, Yamamoto, H, Shibata, N, Inoue, T, Miyake, C, Yokota, A, Kai, Y. | Deposit date: | 1998-09-29 | Release date: | 1999-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of carboxylase reaction-oriented ribulose 1, 5-bisphosphate carboxylase/oxygenase from a thermophilic red alga, Galdieria partita. J.Biol.Chem., 274, 1999
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1WMZ
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![BU of 1wmz by Molmil](/molmil-images/mine/1wmz) | Crystal Structure of C-type Lectin CEL-I complexed with N-acetyl-D-galactosamine | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, ... | Authors: | Sugawara, H, Kusunoki, M, Kurisu, G, Fujimoto, T, Aoyagi, H, Hatakeyama, T. | Deposit date: | 2004-07-22 | Release date: | 2004-09-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Characteristic Recognition of N-Acetylgalactosamine by an Invertebrate C-type Lectin, CEL-I, Revealed by X-ray Crystallographic Analysis J.Biol.Chem., 279, 2004
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1WMY
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![BU of 1wmy by Molmil](/molmil-images/mine/1wmy) | Crystal Structure of C-type Lectin CEL-I from Cucumaria echinata | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, lectin CEL-I, ... | Authors: | Sugawara, H, Kusunoki, M, Kurisu, G, Fujimoto, T, Aoyagi, H, Hatakeyama, T. | Deposit date: | 2004-07-22 | Release date: | 2004-09-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Characteristic Recognition of N-Acetylgalactosamine by an Invertebrate C-type Lectin, CEL-I, Revealed by X-ray Crystallographic Analysis J.Biol.Chem., 279, 2004
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1BYO
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![BU of 1byo by Molmil](/molmil-images/mine/1byo) | WILD-TYPE PLASTOCYANIN FROM SILENE | Descriptor: | COPPER (II) ION, PROTEIN (PLASTOCYANIN) | Authors: | Sugawara, H, Inoue, T, Li, C, Gotowda, M, Hibino, T, Takabe, T, Kai, Y. | Deposit date: | 1998-10-19 | Release date: | 1999-10-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of wild-type and mutant plastocyanins from a higher plant, Silene. J.Biochem.(Tokyo), 125, 1999
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1BYP
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![BU of 1byp by Molmil](/molmil-images/mine/1byp) | E43K,D44K DOUBLE MUTANT PLASTOCYANIN FROM SILENE | Descriptor: | COPPER (II) ION, PROTEIN (PLASTOCYANIN) | Authors: | Sugawara, H, Inoue, T, Li, C, Gotowda, M, Hibino, T, Takabe, T, Kai, Y. | Deposit date: | 1998-10-19 | Release date: | 1999-10-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of wild-type and mutant plastocyanins from a higher plant, Silene. J.Biochem.(Tokyo), 125, 1999
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1WN0
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![BU of 1wn0 by Molmil](/molmil-images/mine/1wn0) | Crystal Structure of Histidine-containing Phosphotransfer Protein, ZmHP2, from maize | Descriptor: | histidine-containing phosphotransfer protein | Authors: | Sugawara, H, Kawano, Y, Hatakeyama, T, Yamaya, T, Kamiya, N, Sakakibara, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-07-24 | Release date: | 2005-01-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the histidine-containing phosphotransfer protein ZmHP2 from maize Protein Sci., 14, 2005
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6AHS
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![BU of 6ahs by Molmil](/molmil-images/mine/6ahs) | Mouse Kallikrein 7 in complex with imidazolinylindole derivative | Descriptor: | 1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4R)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]-1H-indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Sugawara, H. | Deposit date: | 2018-08-20 | Release date: | 2019-01-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery and structure-activity relationship of imidazolinylindole derivatives as kallikrein 7 inhibitors. Bioorg. Med. Chem. Lett., 29, 2019
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5ZFI
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![BU of 5zfi by Molmil](/molmil-images/mine/5zfi) | Mouse kallikrein 7 in complex with 6-benzyl-1,4-diazepan-7-one derivative | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(3Z,6R)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-N-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]acetamide, Kallikrein-7 | Authors: | Sugawara, H. | Deposit date: | 2018-03-06 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based drug design to overcome species differences in kallikrein 7 inhibition of 1,3,6-trisubstituted 1,4-diazepan-7-ones. Bioorg. Med. Chem., 26, 2018
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5ZFH
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![BU of 5zfh by Molmil](/molmil-images/mine/5zfh) | Mouse Kallikrein 7 | Descriptor: | Kallikrein-7 | Authors: | Sugawara, H. | Deposit date: | 2018-03-06 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structure-based drug design to overcome species differences in kallikrein 7 inhibition of 1,3,6-trisubstituted 1,4-diazepan-7-ones. Bioorg. Med. Chem., 26, 2018
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5Y9L
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![BU of 5y9l by Molmil](/molmil-images/mine/5y9l) | Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane-7-one | Descriptor: | 3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid, CHLORIDE ION, Kallikrein-7 | Authors: | Sugawara, H. | Deposit date: | 2017-08-25 | Release date: | 2017-11-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors Bioorg. Med. Chem. Lett., 27, 2017
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5YJK
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![BU of 5yjk by Molmil](/molmil-images/mine/5yjk) | Human kallikrein 7 in complex with 1,4-diazepane-7-one 1-acetamide derivative | Descriptor: | (R)-2-(6-(5-chloro-2-methoxybenzyl)-3-(2,2-dimethylhydrazono)-7-oxo-1,4-diazepan-1-yl)-N-(3-(methylsulfonyl)phenyl)acetamide, CHLORIDE ION, Kallikrein-7 | Authors: | Sugawara, H. | Deposit date: | 2017-10-11 | Release date: | 2017-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors Bioorg. Med. Chem. Lett., 27, 2017
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5YJP
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![BU of 5yjp by Molmil](/molmil-images/mine/5yjp) | Human chymase in complex with 3-(ethoxyimino)-7-oxo-1,4-diazepane derivative | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-3-(ethoxyimino)-7-oxo-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ... | Authors: | Sugawara, H. | Deposit date: | 2017-10-11 | Release date: | 2017-12-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors Bioorg. Med. Chem. Lett., 28, 2018
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6J6U
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![BU of 6j6u by Molmil](/molmil-images/mine/6j6u) | Rat PTPRZ D1-D2 domain | Descriptor: | Receptor-type tyrosine-protein phosphatase zeta | Authors: | Sugawara, H. | Deposit date: | 2019-01-15 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | A head-to-toe dimerization has physiological relevance for ligand-induced inactivation of protein tyrosine receptor type Z. J.Biol.Chem., 294, 2019
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5YJM
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![BU of 5yjm by Molmil](/molmil-images/mine/5yjm) | Human chymase in complex with 7-oxo-3-(phenoxyimino)-1,4-diazepane derivative | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ... | Authors: | Sugawara, H. | Deposit date: | 2017-10-11 | Release date: | 2017-12-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors Bioorg. Med. Chem. Lett., 28, 2018
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5H08
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![BU of 5h08 by Molmil](/molmil-images/mine/5h08) | Human PTPRZ D1 domain complexed with NAZ2329 | Descriptor: | 3-{[2-Ethoxy-5-(trifluoromethyl)benzyl]sulfanyl}-N-(phenylsulfonyl)thiophene-2-carboxamide, Receptor-type tyrosine-protein phosphatase zeta | Authors: | Sugawara, H. | Deposit date: | 2016-10-04 | Release date: | 2017-07-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Targeting PTPRZ inhibits stem cell-like properties and tumorigenicity in glioblastoma cells Sci Rep, 7, 2017
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5AWX
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![BU of 5awx by Molmil](/molmil-images/mine/5awx) | Crystal structure of Human PTPRZ D1 domain | Descriptor: | BROMIDE ION, Receptor-type tyrosine-protein phosphatase zeta | Authors: | Sugawara, H. | Deposit date: | 2015-07-10 | Release date: | 2016-02-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Small-molecule inhibition of PTPRZ reduces tumor growth in a rat model of glioblastoma Sci Rep, 6, 2016
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3CUL
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![BU of 3cul by Molmil](/molmil-images/mine/3cul) | Aminoacyl-tRNA synthetase ribozyme | Descriptor: | MAGNESIUM ION, POTASSIUM ION, RNA (92-MER), ... | Authors: | Xiao, H, Murakami, H, Suga, H, Ferre-D'Amare, A.R. | Deposit date: | 2008-04-16 | Release date: | 2008-06-24 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of specific tRNA aminoacylation by a small in vitro selected ribozyme. Nature, 454, 2008
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3CUN
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![BU of 3cun by Molmil](/molmil-images/mine/3cun) | Aminoacyl-tRNA synthetase ribozyme | Descriptor: | COBALT (II) ION, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Xiao, H, Murakami, H, Suga, H, Ferre-D'Amare, A.R. | Deposit date: | 2008-04-16 | Release date: | 2008-06-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of specific tRNA aminoacylation by a small in vitro selected ribozyme. Nature, 454, 2008
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7QPB
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![BU of 7qpb by Molmil](/molmil-images/mine/7qpb) | Catalytic C-lobe of the HECT-type ubiquitin ligase E6AP in complex with a hybrid foldamer-peptide macrocycle | Descriptor: | Isoform I of Ubiquitin-protein ligase E3A, hybrid foldamer-peptide macrocycle | Authors: | Dengler, S, Howard, R.T, Morozov, V, Tsiamantas, C, Douat, C, Suga, H, Huc, I. | Deposit date: | 2022-01-03 | Release date: | 2023-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.342 Å) | Cite: | Display Selection of a Hybrid Foldamer-Peptide Macrocycle. Angew.Chem.Int.Ed.Engl., 62, 2023
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8JE4
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![BU of 8je4 by Molmil](/molmil-images/mine/8je4) | Crystal structure of LimF prenyltransferase (H239G/W273T mutant) bound with the thiodiphosphate moiety of farnesyl S-thiolodiphosphate (FSPP) | Descriptor: | MAGNESIUM ION, TRIHYDROGEN THIODIPHOSPHATE, prenyltransferase, ... | Authors: | Hamada, K, Oguni, A, Zhang, Y, Satake, M, Goto, Y, Suga, H, Ogata, K, Sengoku, T. | Deposit date: | 2023-05-15 | Release date: | 2023-11-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Switching Prenyl Donor Specificities of Cyanobactin Prenyltransferases. J.Am.Chem.Soc., 145, 2023
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8WM0
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![BU of 8wm0 by Molmil](/molmil-images/mine/8wm0) | Crystal structure of TNIK-thiopeptide wTP3 complex | Descriptor: | ADENOSINE, THIOPEPTIDE wTP3, TRAF2 and NCK-interacting protein kinase | Authors: | Hamada, K, Kobayashi, S, Vinogradov, A.A, Zhang, Y, Goto, Y, Suga, H, Ogata, K, Sengoku, T. | Deposit date: | 2023-10-01 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Compact Reprogrammed Genetic Code for De Novo Discovery of Proteolytically Stable Thiopeptides. J.Am.Chem.Soc., 2024
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8YE0
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![BU of 8ye0 by Molmil](/molmil-images/mine/8ye0) | Crystal structure of KgpF prenyltransferase | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LynF/TruF/PatF family peptide O-prenyltransferase, MAGNESIUM ION, ... | Authors: | Hamada, K, Inoue, S, Goto, Y, Suga, H, Ogata, K, Sengoku, T. | Deposit date: | 2024-02-21 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | De Novo Discovery of Pseudo-Natural Prenylated Macrocyclic Peptide Ligands. Angew.Chem.Int.Ed.Engl., 2024
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7XZR
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![BU of 7xzr by Molmil](/molmil-images/mine/7xzr) | Crystal structure of TNIK-AMPPNP-thiopeptide TP15 complex | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | Authors: | Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T. | Deposit date: | 2022-06-03 | Release date: | 2022-10-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors. J.Am.Chem.Soc., 144, 2022
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7XZQ
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![BU of 7xzq by Molmil](/molmil-images/mine/7xzq) | Crystal structure of TNIK-thiopeptide TP1 complex | Descriptor: | 1,4-BUTANEDIOL, TRAF2 and NCK-interacting protein kinase, thiopeptide TP1 | Authors: | Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T. | Deposit date: | 2022-06-03 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors. J.Am.Chem.Soc., 144, 2022
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6WGN
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![BU of 6wgn by Molmil](/molmil-images/mine/6wgn) | Crystal structure of K-Ras(G12D) GppNHp bound to cyclic peptide ligand KD2 | Descriptor: | Cyclic Peptide KD2, GTPase KRas, MAGNESIUM ION, ... | Authors: | Zhang, Z, Gao, R, Hu, Q, Peacock, H, Peacock, D.M, Shokat, K.M, Suga, H. | Deposit date: | 2020-04-06 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | GTP-State-Selective Cyclic Peptide Ligands of K-Ras(G12D) Block Its Interaction with Raf. Acs Cent.Sci., 6, 2020
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