1MHW
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![BU of 1mhw by Molmil](/molmil-images/mine/1mhw) | Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides | Descriptor: | 4-biphenylacetyl-Cys-(D)Arg-Tyr-N-(2-phenylethyl) amide, Cathepsin L | Authors: | Chowdhury, S, Sivaraman, J, Wang, J, Devanathan, G, Lachance, P, Qi, H, Menard, R, Lefebvre, J, Konishi, Y, Cygler, M, Sulea, T, Purisima, E.O. | Deposit date: | 2002-08-21 | Release date: | 2002-12-11 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides J.Med.Chem., 45, 2002
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2LX2
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![BU of 2lx2 by Molmil](/molmil-images/mine/2lx2) | 1H,13C,15N assignments for an isoform of the type III antifreeze protein from notched-fin eelpout | Descriptor: | Type III antifreeze protein nfeAFP11 | Authors: | Kumeta, H, Ogura, K, Nishimiya, Y, Miura, A, Inagaki, F, Tsuda, S. | Deposit date: | 2012-08-12 | Release date: | 2013-07-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR structure note: a defective isoform and its activity-improved variant of a type III antifreeze protein from Zoarces elongates Kner J.Biomol.Nmr, 55, 2013
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4FRV
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![BU of 4frv by Molmil](/molmil-images/mine/4frv) | Crystal structure of mutated cyclophilin B that causes hyperelastosis cutis in the American Quarter Horse | Descriptor: | 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, Peptidyl-prolyl cis-trans isomerase, ... | Authors: | Boudko, S.P, Ishikawa, Y, Bachinger, H.P. | Deposit date: | 2012-06-26 | Release date: | 2012-11-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal structures of wild-type and mutated cyclophilin B that causes hyperelastosis cutis in the American quarter horse. BMC Res Notes, 5, 2012
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3VM6
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![BU of 3vm6 by Molmil](/molmil-images/mine/3vm6) | Crystal structure of ribose-1,5-bisphosphate isomerase from Thermococcus kodakarensis KOD1 in complex with alpha-D-ribose-1,5-bisphosphate | Descriptor: | 1,5-di-O-phosphono-alpha-D-ribofuranose, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Nakamura, A, Fujihashi, M, Aono, R, Sato, T, Nishiba, Y, Yoshida, S, Yano, A, Atomi, H, Imanaka, T, Miki, K. | Deposit date: | 2011-12-08 | Release date: | 2012-04-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Dynamic, ligand-dependent conformational change triggers reaction of ribose-1,5-bisphosphate isomerase from Thermococcus kodakarensis KOD1 J.Biol.Chem., 287, 2012
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5XA4
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![BU of 5xa4 by Molmil](/molmil-images/mine/5xa4) | Crystal Structure of HasAp with Fe-5,15-Diazaporphyrin | Descriptor: | 10,20-Diphenyl-5,15-diaza-porphyrin containing FE, Heme acquisition protein HasAp | Authors: | Shoji, O, Uehara, H, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2017-03-10 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structures of the Heme Acquisition Protein HasA with Iron(III)-5,15-Diphenylporphyrin and Derivatives Thereof as an Artificial Prosthetic Group Angew. Chem. Int. Ed. Engl., 56, 2017
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2RPV
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![BU of 2rpv by Molmil](/molmil-images/mine/2rpv) | Solution Structure of GB1 with LBT probe | Descriptor: | Immunoglobulin G-binding protein G, LANTHANUM (III) ION | Authors: | Saio, T, Ogura, K, Yokochi, M, Kobashigawa, Y, Inagaki, F. | Deposit date: | 2008-10-28 | Release date: | 2009-09-15 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Two-point anchoring of a lanthanide-binding peptide to a target protein enhances the paramagnetic anisotropic effect J.Biomol.Nmr, 44, 2009
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5XKB
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![BU of 5xkb by Molmil](/molmil-images/mine/5xkb) | Crystal Structure of HasAp with Fe-5,15-bisethynyl-10,20-diphenylporphyrin | Descriptor: | 5,15-Bisethynyl-10,20-diphenylporphyrin containing FE, Heme acquisition protein HasAp | Authors: | Shoji, O, Uehara, H, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2017-05-06 | Release date: | 2017-12-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of the Heme Acquisition Protein HasA with Iron(III)-5,15-Diphenylporphyrin and Derivatives Thereof as an Artificial Prosthetic Group Angew. Chem. Int. Ed. Engl., 56, 2017
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5XEM
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5XIC
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![BU of 5xic by Molmil](/molmil-images/mine/5xic) | Crystal Structure of HasAp with Fe-5,10,15-triphenylporphyrin | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 5,10,15-Triphenylporphyrin cpntaining FE, Heme acquisition protein HasAp | Authors: | Shoji, O, Uehara, H, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2017-04-26 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structures of the Heme Acquisition Protein HasA with Iron(III)-5,15-Diphenylporphyrin and Derivatives Thereof as an Artificial Prosthetic Group Angew. Chem. Int. Ed. Engl., 56, 2017
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1IYX
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![BU of 1iyx by Molmil](/molmil-images/mine/1iyx) | Crystal structure of enolase from Enterococcus hirae | Descriptor: | ENOLASE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Hosaka, T, Meguro, T, Yamato, I, Shirakihara, Y. | Deposit date: | 2002-09-12 | Release date: | 2003-07-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Enterococcus hirae Enolase at 2.8 A Resolution J.BIOCHEM.(TOKYO), 133, 2003
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5XIB
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![BU of 5xib by Molmil](/molmil-images/mine/5xib) | Crystal Structure of HasAp with Fe-5,15-Diphenylporphyrin | Descriptor: | 5,15-Diphenylporphyrin containing FE, Heme acquisition protein HasAp | Authors: | Shoji, O, Uehara, H, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2017-04-26 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of the Heme Acquisition Protein HasA with Iron(III)-5,15-Diphenylporphyrin and Derivatives Thereof as an Artificial Prosthetic Group Angew. Chem. Int. Ed. Engl., 56, 2017
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2III
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![BU of 2iii by Molmil](/molmil-images/mine/2iii) | Crystal structure of the adenosylmethionine decarboxylase (aq_254) from aquifex aeolicus vf5 | Descriptor: | CALCIUM ION, MAGNESIUM ION, S-adenosylmethionine decarboxylase proenzyme | Authors: | Jeyakanthan, J, Kanaujia, S.P, Vasuki Ranjani, C, Sekar, K, Baba, S, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-09-28 | Release date: | 2007-10-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the adenosylmethionine decarboxylase (aq_254) from aquifex aeolicus vf5 To be Published
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5X79
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![BU of 5x79 by Molmil](/molmil-images/mine/5x79) | Human GST Pi conjugated with novel inhibitor, GS-ESF | Descriptor: | (2S)-2-azanyl-5-[[(2R)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase P | Authors: | Tomoike, F, Shishido, Y, Fukui, K, Kimura, Y, Abe, H. | Deposit date: | 2017-02-24 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A covalent G-site inhibitor for glutathione S-transferase Pi (GSTP1-1). Chem. Commun. (Camb.), 53, 2017
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5XT6
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![BU of 5xt6 by Molmil](/molmil-images/mine/5xt6) | A sulfur-transferring catalytic intermediate of SufS-SufU complex from Bacillus subtilis | Descriptor: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID, Cysteine desulfurase SufS, ZINC ION, ... | Authors: | Fujishiro, T, Kunichika, K, Takahashi, Y. | Deposit date: | 2017-06-17 | Release date: | 2017-12-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Zinc-Ligand Swapping Mediated Complex Formation and Sulfur Transfer between SufS and SufU for Iron-Sulfur Cluster Biogenesis in Bacillus subtilis J. Am. Chem. Soc., 139, 2017
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5XEO
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5XEN
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3WFC
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![BU of 3wfc by Molmil](/molmil-images/mine/3wfc) | Reduced and carbonmonoxide-bound cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment | Descriptor: | CALCIUM ION, CARBON MONOXIDE, FE (III) ION, ... | Authors: | Sato, N, Ishii, S, Hino, T, Sugimoto, H, Fukumori, Y, Shiro, Y, Tosha, T. | Deposit date: | 2013-07-18 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of reduced and ligand-bound nitric oxide reductase provide insights into functional differences in respiratory enzymes. Proteins, 82, 2014
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5XT5
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![BU of 5xt5 by Molmil](/molmil-images/mine/5xt5) | SufS-SufU complex from Bacillus subtilis | Descriptor: | Cysteine desulfurase SufS, PYRIDOXAL-5'-PHOSPHATE, ZINC ION, ... | Authors: | Fujishiro, T, Takahashi, Y. | Deposit date: | 2017-06-17 | Release date: | 2017-12-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Zinc-Ligand Swapping Mediated Complex Formation and Sulfur Transfer between SufS and SufU for Iron-Sulfur Cluster Biogenesis in Bacillus subtilis J. Am. Chem. Soc., 139, 2017
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5XIE
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![BU of 5xie by Molmil](/molmil-images/mine/5xie) | Crystal Structure of HasAp with 5-ethynyl-10,20-diphenylporphyrin | Descriptor: | 5-Ethynyl-10,20-diphenylporphyrin containing FE, Heme acquisition protein HasAp | Authors: | Shoji, O, Uehara, H, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2017-04-26 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structures of the Heme Acquisition Protein HasA with Iron(III)-5,15-Diphenylporphyrin and Derivatives Thereof as an Artificial Prosthetic Group Angew. Chem. Int. Ed. Engl., 56, 2017
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1UFZ
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![BU of 1ufz by Molmil](/molmil-images/mine/1ufz) | Solution structure of HBS1-like domain in hypothetical protein BAB28515 | Descriptor: | Hypothetical protein BAB28515 | Authors: | He, F, Muto, Y, Hayami, N, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Kobayashi, N, Tanaka, A, Osanai, T, Matsuo, Y, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-06-11 | Release date: | 2004-08-03 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of HBS1-like domain in hypothetical protein BAB28515 To be Published
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1UG8
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![BU of 1ug8 by Molmil](/molmil-images/mine/1ug8) | NMR structure of the R3H domain from Poly(A)-specific Ribonuclease | Descriptor: | Poly(A)-specific Ribonuclease | Authors: | Nagata, T, Muto, Y, Hayami, N, Uda, H, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Kobayashi, N, Tanaka, A, Osanai, T, Matsuo, Y, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-06-15 | Release date: | 2004-08-17 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | NMR structure of the R3H domain from Poly(A)-specific Ribonuclease To be Published
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5XXN
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![BU of 5xxn by Molmil](/molmil-images/mine/5xxn) | Crystal Structure of mutant (D286N) beta-glucosidase from Bacteroides thetaiotaomicron in complex with sophorose | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ... | Authors: | Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahashi, Y, Sugimono, N, Nakai, H, Taguchi, H. | Deposit date: | 2017-07-04 | Release date: | 2017-12-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase. FEBS Lett., 591, 2017
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7WMT
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![BU of 7wmt by Molmil](/molmil-images/mine/7wmt) | Crystal structure of small molecule 13 bound to human Nicotinamide N-methyltransferase | Descriptor: | Nicotinamide N-methyltransferase, [(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone | Authors: | Yoshida, S, Uehara, S, Kondo, N, Takahashi, Y, Yamamoto, S, Kameda, A, Kawagoe, S, Inoue, N, Yamada, M, Yoshimura, N, Tachibana, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-31 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy from High-Affinity Macrocyclic Peptides. J.Med.Chem., 65, 2022
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7WMC
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![BU of 7wmc by Molmil](/molmil-images/mine/7wmc) | Crystal structure of macrocyclic peptide 1 bound to human Nicotinamide N-methyltransferase | Descriptor: | Nicotinamide N-methyltransferase, Peptide1 | Authors: | Yoshida, S, Uehara, S, Kondo, N, Takahashi, Y, Yamamoto, S, Kameda, A, Kawagoe, S, Inoue, N, Yamada, M, Yoshimura, N, Tachibana, Y. | Deposit date: | 2022-01-14 | Release date: | 2022-08-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy from High-Affinity Macrocyclic Peptides. J.Med.Chem., 65, 2022
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4FRU
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![BU of 4fru by Molmil](/molmil-images/mine/4fru) | Crystal structure of horse wild-type cyclophilin B | Descriptor: | 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, Peptidyl-prolyl cis-trans isomerase, ... | Authors: | Boudko, S.P, Ishikawa, Y, Bachinger, H.P. | Deposit date: | 2012-06-26 | Release date: | 2012-11-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal structures of wild-type and mutated cyclophilin B that causes hyperelastosis cutis in the American quarter horse. BMC Res Notes, 5, 2012
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