1BMQ
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![BU of 1bmq by Molmil](/molmil-images/mine/1bmq) | CRYSTAL STRUCTURE OF THE COMPLEX OF INTERLEUKIN-1BETA CONVERTING ENZYME (ICE) WITH A PEPTIDE BASED INHIBITOR, (3S )-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL }AMINO)-4-OXOBUTANAMIDE | Descriptor: | (3S)-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)-4-OXOBUTANAMIDE, PROTEIN (INTERLEUKIN-1 BETA CONVERTASE) | Authors: | Okamoto, Y, Anan, H, Nakai, E, Morihira, K, Yonetoku, Y, Kurihara, H, Katayama, N, Sakashita, H, Terai, Y, Takeuchi, M, Shibanuma, T, Isomura, Y. | Deposit date: | 1998-07-24 | Release date: | 1998-07-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Peptide based interleukin-1 beta converting enzyme (ICE) inhibitors: synthesis, structure activity relationships and crystallographic study of the ICE-inhibitor complex. Chem.Pharm.Bull., 47, 1999
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1JDC
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![BU of 1jdc by Molmil](/molmil-images/mine/1jdc) | MUTANT (E219Q) MALTOTETRAOSE-FORMING EXO-AMYLASE COCRYSTALLIZED WITH MALTOTETRAOSE (CRYSTAL TYPE 1) | Descriptor: | 1,4-ALPHA MALTOTETRAHYDROLASE, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Yoshioka, Y, Hasegawa, K, Matsuura, Y, Katsube, Y, Kubota, M. | Deposit date: | 1997-06-16 | Release date: | 1997-10-15 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of a mutant maltotetraose-forming exo-amylase cocrystallized with maltopentaose. J.Mol.Biol., 271, 1997
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1JDD
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![BU of 1jdd by Molmil](/molmil-images/mine/1jdd) | MUTANT (E219Q) MALTOTETRAOSE-FORMING EXO-AMYLASE COCRYSTALLIZED WITH MALTOTETRAOSE (CRYSTAL TYPE 2) | Descriptor: | 1,4-ALPHA MALTOTETRAHYDROLASE, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Yoshioka, Y, Hasegawa, K, Matsuura, Y, Katsube, Y, Kubota, M. | Deposit date: | 1997-06-16 | Release date: | 1997-10-15 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of a mutant maltotetraose-forming exo-amylase cocrystallized with maltopentaose. J.Mol.Biol., 271, 1997
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1JDA
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![BU of 1jda by Molmil](/molmil-images/mine/1jda) | MALTOTETRAOSE-FORMING EXO-AMYLASE | Descriptor: | 1,4-ALPHA MALTOTETRAHYDROLASE, CALCIUM ION | Authors: | Yoshioka, Y, Hasegawa, K, Matsuura, Y, Katsube, Y, Kubota, M. | Deposit date: | 1997-06-16 | Release date: | 1997-10-15 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of a mutant maltotetraose-forming exo-amylase cocrystallized with maltopentaose. J.Mol.Biol., 271, 1997
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5AXE
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![BU of 5axe by Molmil](/molmil-images/mine/5axe) | Crystal Structure Analysis of DNA Duplexes containing sulfoamide-bridged nucleic acid (SuNA-NH) | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(LSH)P*AP*CP*GP*C)-3') | Authors: | Mitsuoka, Y, Aoyama, H, Kugimiya, A, Fujimura, Y, Yamamoto, T, Waki, R, Wada, F, Tahara, S, Sawamura, M, Noda, M, Hari, Y, Obika, S. | Deposit date: | 2015-07-28 | Release date: | 2016-07-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Effect of an N-substituent in sulfonamide-bridged nucleic acid (SuNA) on hybridization ability and duplex structure. Org.Biomol.Chem., 14, 2016
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5AXF
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![BU of 5axf by Molmil](/molmil-images/mine/5axf) | Crystal Structure Analysis of DNA Duplexes containing sulfoamide-bridged nucleic acid (SuNA-NMe) | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(LSM)P*AP*CP*GP*C)-3') | Authors: | Mitsuoka, Y, Aoyama, H, Kugimiya, A, Fujimura, Y, Yamamoto, T, Waki, R, Wada, F, Tahara, S, Sawamura, M, Noda, M, Hari, Y, Obika, S. | Deposit date: | 2015-07-28 | Release date: | 2016-07-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Effect of an N-substituent in sulfonamide-bridged nucleic acid (SuNA) on hybridization ability and duplex structure. Org.Biomol.Chem., 14, 2016
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4P1W
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![BU of 4p1w by Molmil](/molmil-images/mine/4p1w) | |
4P1N
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![BU of 4p1n by Molmil](/molmil-images/mine/4p1n) | Crystal structure of Atg1-Atg13 complex | Descriptor: | Atg1 tMIT, Atg13 MIM | Authors: | Fujioka, Y, Noda, N.N. | Deposit date: | 2014-02-27 | Release date: | 2014-05-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of starvation-induced assembly of the autophagy initiation complex. Nat.Struct.Mol.Biol., 21, 2014
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1IWA
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![BU of 1iwa by Molmil](/molmil-images/mine/1iwa) | RUBISCO FROM GALDIERIA PARTITA | Descriptor: | SULFATE ION, ribulose-1,5-bisphosphate carboxylase/oxygenase large subunit, ribulose-1,5-bisphosphate carboxylase/oxygenase small subunit | Authors: | Okano, Y, Mizohata, E, Xie, Y, Matsumura, H, Sugawara, H, Inoue, T, Yokota, A, Kai, Y. | Deposit date: | 2002-04-30 | Release date: | 2003-04-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-Ray Structure of Galdieria Rubisco Complexed with one sulfate ion per active site FEBS LETT., 527, 2002
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3A7P
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![BU of 3a7p by Molmil](/molmil-images/mine/3a7p) | |
3A7O
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![BU of 3a7o by Molmil](/molmil-images/mine/3a7o) | |
3WHN
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![BU of 3whn by Molmil](/molmil-images/mine/3whn) | Hemerythrin-like domain of DcrH I119H mutant (met) | Descriptor: | CALCIUM ION, CHLORO DIIRON-OXO MOIETY, Hemerythrin-like domain protein DcrH | Authors: | Okamoto, Y, Onoda, A, Sugimoto, H, Takano, Y, Hirota, S, Kurtz Jr, D.M, Shiro, Y, Hayashi, T. | Deposit date: | 2013-08-29 | Release date: | 2014-02-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | H2O2-dependent substrate oxidation by an engineered diiron site in a bacterial hemerythrin. Chem.Commun.(Camb.), 50, 2014
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3WAQ
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![BU of 3waq by Molmil](/molmil-images/mine/3waq) | Hemerythrin-like domain of DcrH I119E mutant (met) | Descriptor: | Hemerythrin-like domain protein DcrH, MU-OXO-DIIRON | Authors: | Okamoto, Y, Onoda, A, Sugimoto, H, Takano, Y, Hirota, S, Kurtz Jr, D.M, Shiro, Y, Hayashi, T. | Deposit date: | 2013-05-07 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure, exogenous ligand binding, and redox properties of an engineered diiron active site in a bacterial hemerythrin Inorg.Chem., 52, 2013
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3W6I
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![BU of 3w6i by Molmil](/molmil-images/mine/3w6i) | Crystal structure of 19F probe-labeled hCAI | Descriptor: | 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene, Carbonic anhydrase 1, ZINC ION | Authors: | Takaoka, Y, Kioi, Y, Morito, A, Otani, J, Arita, K, Ashihara, E, Ariyoshi, M, Tochio, H, Shirakawa, M, Hamachi, I. | Deposit date: | 2013-02-14 | Release date: | 2013-03-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.693 Å) | Cite: | Quantitative Comparison of Protein Dynamics in Live Cells and In Vitro by In-Cell 19F-NMR To be published
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3W6H
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![BU of 3w6h by Molmil](/molmil-images/mine/3w6h) | Crystal structure of 19F probe-labeled hCAI in complex with acetazolamide | Descriptor: | 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 1, ... | Authors: | Takaoka, Y, Kioi, Y, Morito, A, Otani, J, Arita, K, Ashihara, E, Ariyoshi, M, Tochio, H, Shirakawa, M, Hamachi, I. | Deposit date: | 2013-02-14 | Release date: | 2013-03-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.964 Å) | Cite: | Quantitative Comparison of Protein Dynamics in Live Cells and In Vitro by In-Cell 19F-NMR To be published
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8K4Z
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![BU of 8k4z by Molmil](/molmil-images/mine/8k4z) | |
5JHF
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![BU of 5jhf by Molmil](/molmil-images/mine/5jhf) | |
1QPK
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![BU of 1qpk by Molmil](/molmil-images/mine/1qpk) | MUTANT (D193G) MALTOTETRAOSE-FORMING EXO-AMYLASE IN COMPLEX WITH MALTOTETRAOSE | Descriptor: | CALCIUM ION, PROTEIN (MALTOTETRAOSE-FORMING AMYLASE), alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Yoshioka, Y, Hasegawa, K, Matsuura, Y, Katsube, Y, Kubota, M. | Deposit date: | 1999-05-26 | Release date: | 1999-11-17 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Roles of catalytic residues in alpha-amylases as evidenced by the structures of the product-complexed mutants of a maltotetraose-forming amylase. Protein Eng., 12, 1999
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7F2X
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![BU of 7f2x by Molmil](/molmil-images/mine/7f2x) | Crystal structure of MEK1 C121S mutant | Descriptor: | MEK1 F11, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Fujioka, Y, Noda, N.N. | Deposit date: | 2021-06-15 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.007 Å) | Cite: | Qualitative differences in disease-associated MEK mutants reveal molecular signatures and aberrant signaling-crosstalk in cancer. Nat Commun, 13, 2022
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8JUD
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![BU of 8jud by Molmil](/molmil-images/mine/8jud) | Crystal structure of human MMP-7 in complex with inhibitor | Descriptor: | CALCIUM ION, Matrilysin, Peptide Inhibitor, ... | Authors: | Kamitani, M, Abe-Sato, K, Oka, Y. | Deposit date: | 2023-06-26 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Based Optimization and Biological Evaluation of Potent and Selective MMP-7 Inhibitors for Kidney Fibrosis. J.Med.Chem., 66, 2023
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8JUF
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![BU of 8juf by Molmil](/molmil-images/mine/8juf) | Crystal structure of human MMP-7 in complex with inhibitor | Descriptor: | CALCIUM ION, Matrilysin, Peptide Inhibitor, ... | Authors: | Kamitani, M, Abe-Sato, K, Oka, Y. | Deposit date: | 2023-06-26 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structure-Based Optimization and Biological Evaluation of Potent and Selective MMP-7 Inhibitors for Kidney Fibrosis. J.Med.Chem., 66, 2023
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8JUG
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![BU of 8jug by Molmil](/molmil-images/mine/8jug) | Crystal structure of human MMP-7 in complex with inhibitor | Descriptor: | CALCIUM ION, Matrilysin, Peptide Inhibitor, ... | Authors: | Kamitani, M, Abe-Sato, K, Oka, Y. | Deposit date: | 2023-06-26 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure-Based Optimization and Biological Evaluation of Potent and Selective MMP-7 Inhibitors for Kidney Fibrosis. J.Med.Chem., 66, 2023
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7WXX
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![BU of 7wxx by Molmil](/molmil-images/mine/7wxx) | Crystal structure of human MMP-7 in complex with inhibitor | Descriptor: | CALCIUM ION, Matrilysin, Peptide Inhibitor, ... | Authors: | Kamitani, M, Oka, Y, Tabuse, H. | Deposit date: | 2022-02-15 | Release date: | 2022-10-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of Highly Potent and Selective Matrix Metalloproteinase-7 Inhibitors by Hybridizing the S1' Subsite Binder with Short Peptides. J.Med.Chem., 65, 2022
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3WYX
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![BU of 3wyx by Molmil](/molmil-images/mine/3wyx) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 6-((3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-2-(cyclohexylamino)nicotinonitrile | Descriptor: | 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, Dual specificity protein kinase TTK, IODIDE ION | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y. | Deposit date: | 2014-09-09 | Release date: | 2015-04-08 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity. Bioorg.Med.Chem., 23, 2015
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3WZK
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![BU of 3wzk by Molmil](/molmil-images/mine/3wzk) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH N-cyclopropyl-4-(8-((thiophen-2-ylmethyl)amino)imidazo[1,2-a]pyrazin-3-yl)benzamide | Descriptor: | CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y. | Deposit date: | 2014-09-29 | Release date: | 2015-02-11 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity. J.Med.Chem., 58, 2015
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