4K3J
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![BU of 4k3j by Molmil](/molmil-images/mine/4k3j) | Crystal structure of Onartuzumab Fab in complex with MET and HGF-beta | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hepatocyte growth factor, Hepatocyte growth factor beta chain, ... | Authors: | Ma, X, Starovasnik, M.A. | Deposit date: | 2013-04-10 | Release date: | 2013-08-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Monovalent antibody design and mechanism of action of onartuzumab, a MET antagonist with anti-tumor activity as a therapeutic agent. Proc.Natl.Acad.Sci.USA, 110, 2013
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8W85
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![BU of 8w85 by Molmil](/molmil-images/mine/8w85) | HLA-DQ2.5-gamma2 gliadin peptide in complex with DQN0385AE01 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE01 Fab heavy chain, DQN0385AE01 Fab light chain, ... | Authors: | Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T. | Deposit date: | 2023-08-31 | Release date: | 2023-11-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.769 Å) | Cite: | Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease. Nat Commun, 14, 2023
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8W86
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![BU of 8w86 by Molmil](/molmil-images/mine/8w86) | HLA-DQ2.5-B/C hordein peptide in complex with DQN0385AE02 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE02 Fab heavy chain, DQN0385AE02 Fab light chain, ... | Authors: | Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T. | Deposit date: | 2023-08-31 | Release date: | 2023-11-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.236 Å) | Cite: | Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease. Nat Commun, 14, 2023
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8W84
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![BU of 8w84 by Molmil](/molmil-images/mine/8w84) | HLA-DQ2.5-alpha2 gliadin peptide in complex with DQN0344AE02 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ... | Authors: | Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T. | Deposit date: | 2023-08-31 | Release date: | 2023-11-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.105 Å) | Cite: | Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease. Nat Commun, 14, 2023
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8W83
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![BU of 8w83 by Molmil](/molmil-images/mine/8w83) | HLA-DQ2.5-alpha1 gliadin peptide in complex with DQN0344AE02 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ... | Authors: | Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T. | Deposit date: | 2023-08-31 | Release date: | 2023-11-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.818 Å) | Cite: | Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease. Nat Commun, 14, 2023
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7YV1
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![BU of 7yv1 by Molmil](/molmil-images/mine/7yv1) | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ... | Authors: | Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A. | Deposit date: | 2022-08-18 | Release date: | 2023-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.454 Å) | Cite: | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets. J.Am.Chem.Soc., 145, 2023
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6PAZ
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![BU of 6paz by Molmil](/molmil-images/mine/6paz) | OXIDIZED MUTANT P80I PSEUDOAZURIN FROM A. FAECALIS | Descriptor: | COPPER (II) ION, PSEUDOAZURIN | Authors: | Adman, E.T, Libeu, C.A.P. | Deposit date: | 1997-02-21 | Release date: | 1997-08-20 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences. Biochemistry, 36, 1997
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2YY8
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![BU of 2yy8 by Molmil](/molmil-images/mine/2yy8) | |
2YTZ
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![BU of 2ytz by Molmil](/molmil-images/mine/2ytz) | Complex structure of Trm1 from Pyrococcus horikoshii with S-adenosyl-L-Homocystein in the orthorhombic crystal-lattice | Descriptor: | N(2),N(2)-dimethylguanosine tRNA methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION | Authors: | Ihsanawati, Shirouzu, M, Bessho, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-05 | Release date: | 2007-10-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal Structure of tRNA N(2),N(2)-Guanosine Dimethyltransferase Trm1 from Pyrococcus horikoshii J.Mol.Biol., 383, 2008
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5PAZ
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![BU of 5paz by Molmil](/molmil-images/mine/5paz) | REDUCED MUTANT P80A PSEUDOAZURIN FROM A. FAECALIS | Descriptor: | COPPER (II) ION, PSEUDOAZURIN | Authors: | Adman, E.T, Libeu, C.A.P. | Deposit date: | 1997-02-21 | Release date: | 1997-08-20 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences. Biochemistry, 36, 1997
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7PAZ
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![BU of 7paz by Molmil](/molmil-images/mine/7paz) | REDUCED MUTANT P80I PSEUDOAZURIN FROM A. FAECALIS | Descriptor: | COPPER (II) ION, PSEUDOAZURIN | Authors: | Adman, E.T, Libeu, C.A.P. | Deposit date: | 1997-02-21 | Release date: | 1997-08-20 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences. Biochemistry, 36, 1997
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1BDM
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3PAZ
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![BU of 3paz by Molmil](/molmil-images/mine/3paz) | REDUCED NATIVE PSEUDOAZURIN FROM A. FAECALIS | Descriptor: | COPPER (II) ION, PSEUDOAZURIN | Authors: | Adman, E.T, Libeu, C.A.P. | Deposit date: | 1997-02-20 | Release date: | 1997-08-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences. Biochemistry, 36, 1997
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4PAZ
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![BU of 4paz by Molmil](/molmil-images/mine/4paz) | OXIDIZED MUTANT P80A PSEUDOAZURIN FROM A. FAECALIS | Descriptor: | COPPER (II) ION, PSEUDOAZURIN | Authors: | Adman, E.T, Libeu, C.A.P. | Deposit date: | 1997-02-20 | Release date: | 1997-08-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences. Biochemistry, 36, 1997
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8PAZ
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![BU of 8paz by Molmil](/molmil-images/mine/8paz) | OXIDIZED NATIVE PSEUDOAZURIN FROM A. FAECALIS | Descriptor: | COPPER (II) ION, PSEUDOAZURIN | Authors: | Adman, E.T, Libeu, C.A.P. | Deposit date: | 1997-02-24 | Release date: | 1997-08-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences. Biochemistry, 36, 1997
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1BMD
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![BU of 1bmd by Molmil](/molmil-images/mine/1bmd) | |
7WDT
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![BU of 7wdt by Molmil](/molmil-images/mine/7wdt) | 6-sulfo-beta-D-N-acetylglucosaminidase from Bifidobacterium bifidum in complex with GlcNAc-6S | Descriptor: | 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, ... | Authors: | Yamada, C, Kashima, T, Fushinobu, S, Katoh, T, Katayama, T. | Deposit date: | 2021-12-22 | Release date: | 2022-12-28 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A bacterial sulfoglycosidase highlights mucin O-glycan breakdown in the gut ecosystem. Nat.Chem.Biol., 19, 2023
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7WDU
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![BU of 7wdu by Molmil](/molmil-images/mine/7wdu) | 6-sulfo-beta-D-N-acetylglucosaminidase from Bifidobacterium bifidum in complex with PUGNAc-6S | Descriptor: | Beta-N-acetylhexosaminidase, CALCIUM ION, [[(3R,4R,5S,6R)-3-acetamido-4,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate | Authors: | Kashima, T, Yamada, C, Fushinobu, S, Katoh, T, Katayama, T. | Deposit date: | 2021-12-22 | Release date: | 2022-12-28 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | A bacterial sulfoglycosidase highlights mucin O-glycan breakdown in the gut ecosystem. Nat.Chem.Biol., 19, 2023
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1NTD
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![BU of 1ntd by Molmil](/molmil-images/mine/1ntd) | STRUCTURE OF ALCALIGENES FAECALIS NITRITE REDUCTASE MUTANT M150E THAT CONTAINS ZINC | Descriptor: | COPPER (II) ION, NITRITE REDUCTASE | Authors: | Murphy, M.E.P, Adman, E.T, Turley, S. | Deposit date: | 1995-07-03 | Release date: | 1996-11-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of Alcaligenes faecalis nitrite reductase and a copper site mutant, M150E, that contains zinc. Biochemistry, 34, 1995
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5JGB
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![BU of 5jgb by Molmil](/molmil-images/mine/5jgb) | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 10 | Descriptor: | N-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-04-20 | Release date: | 2016-07-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD) Bioorg.Med.Chem., 24, 2016
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5JGD
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![BU of 5jgd by Molmil](/molmil-images/mine/5jgd) | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 12 | Descriptor: | N-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-04-20 | Release date: | 2016-07-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD) Bioorg.Med.Chem., 24, 2016
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8IBR
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![BU of 8ibr by Molmil](/molmil-images/mine/8ibr) | Crystal structure of GH42 beta-galactosidase BiBga42A from Bifidobacterium longum subspecies infantis in complex with glycerol | Descriptor: | Beta-galactosidase, DI(HYDROXYETHYL)ETHER, GLYCEROL | Authors: | Hidaka, M, Fushinobu, S, Gotoh, A, Katayama, T. | Deposit date: | 2023-02-10 | Release date: | 2023-06-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Substrate recognition mode of a glycoside hydrolase family 42 beta-galactosidase from Bifidobacterium longum subspecies infantis ( Bi Bga42A) revealed by crystallographic and mutational analyses. Microbiome Res Rep, 2, 2023
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8IBT
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![BU of 8ibt by Molmil](/molmil-images/mine/8ibt) | Crystal structure of GH42 beta-galactosidase BiBga42A from Bifidobacterium longum subspecies infantis E318S mutant in complex with lacto-N-tetraose | Descriptor: | Beta-galactosidase, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Hidaka, M, Fushinobu, S, Gotoh, A, Katayama, T. | Deposit date: | 2023-02-10 | Release date: | 2023-06-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Substrate recognition mode of a glycoside hydrolase family 42 beta-galactosidase from Bifidobacterium longum subspecies infantis ( Bi Bga42A) revealed by crystallographic and mutational analyses. Microbiome Res Rep, 2, 2023
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7XMC
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![BU of 7xmc by Molmil](/molmil-images/mine/7xmc) | Cryo-EM structure of Cytochrome bo3 from Escherichia coli, apo structure with DMSO | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ... | Authors: | Nishida, Y, Shigematsu, H, Iwamoto, T, Takashima, S, Shintani, Y. | Deposit date: | 2022-04-25 | Release date: | 2022-12-21 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases. Nat Commun, 13, 2022
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7XMD
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![BU of 7xmd by Molmil](/molmil-images/mine/7xmd) | Cryo-EM structure of Cytochrome bo3 from Escherichia coli, the structure complexed with an allosteric inhibitor N4 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ... | Authors: | Nishida, Y, Shigematsu, H, Iwamoto, T, Takashima, S, Shintani, Y. | Deposit date: | 2022-04-25 | Release date: | 2022-12-21 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases. Nat Commun, 13, 2022
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