6JQA
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![BU of 6jqa by Molmil](/molmil-images/mine/6jqa) | |
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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2AFN
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![BU of 2afn by Molmil](/molmil-images/mine/2afn) | STRUCTURE OF ALCALIGENES FAECALIS NITRITE REDUCTASE AND A COPPER SITE 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: | 1996-08-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of Alcaligenes faecalis nitrite reductase and a copper site mutant, M150E, that contains zinc. Biochemistry, 34, 1995
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8H7X
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![BU of 8h7x by Molmil](/molmil-images/mine/8h7x) | Crystal structure of EGFR T790M/C797S mutant in complex with brigatinib | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor | Authors: | Kukimoto-Niino, M, Shirouzu, M. | Deposit date: | 2022-10-21 | Release date: | 2023-10-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.404 Å) | Cite: | A macrocyclic kinase inhibitor overcomes triple resistant mutations in EGFR-positive lung cancer. NPJ Precis Oncol, 8, 2024
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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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8IBS
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![BU of 8ibs by Molmil](/molmil-images/mine/8ibs) | Crystal structure of GH42 beta-galactosidase BiBga42A from Bifidobacterium longum subspecies infantis E160A/E318A mutant in complex with galactose | Descriptor: | Beta-galactosidase, alpha-D-galactopyranose | 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 (1.9 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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7XI9
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![BU of 7xi9 by Molmil](/molmil-images/mine/7xi9) | Cryo-EM structure of human DNMT1 (aa:351-1616) in complex with ubiquitinated H3 and hemimethylated DNA analog (CXXC-ordered form) | Descriptor: | DNA (5'-D(*AP*CP*TP*TP*AP*(5CM)P*GP*GP*AP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*TP*CP*(C55)P*GP*TP*AP*AP*GP*T)-3'), DNA (cytosine-5)-methyltransferase 1, ... | Authors: | Onoda, H, Kikuchi, A, Kori, S, Yoshimi, S, Yamagata, A, Arita, K. | Deposit date: | 2022-04-12 | Release date: | 2022-11-30 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (2.52 Å) | Cite: | Structural basis for activation of DNMT1. Nat Commun, 13, 2022
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7XIB
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![BU of 7xib by Molmil](/molmil-images/mine/7xib) | Cryo-EM structure of human DNMT1 (aa:351-1616) in complex with ubiquitinated H3 and hemimethylated DNA analog (CXXC-disordered form) | Descriptor: | DNA (5'-D(*AP*CP*TP*TP*AP*(5CM)P*GP*GP*AP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*TP*CP*(C55)P*GP*TP*AP*AP*GP*T)-3'), DNA (cytosine-5)-methyltransferase 1, ... | Authors: | Onoda, H, Kikuchi, A, Kori, S, Yoshimi, S, Yamagata, A, Arita, K. | Deposit date: | 2022-04-12 | Release date: | 2022-11-30 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (2.23 Å) | Cite: | Structural basis for activation of DNMT1. Nat Commun, 13, 2022
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7FB7
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![BU of 7fb7 by Molmil](/molmil-images/mine/7fb7) | Crystal structure of human UHRF1 TTD in complex with 5-amino-2,4-dimethylpyridine | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-amino-2,4-dimethylpyridine, DIMETHYL SULFOXIDE, ... | Authors: | Kori, S, Arita, K, Yoshimi, S. | Deposit date: | 2021-07-08 | Release date: | 2022-01-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure-based screening combined with computational and biochemical analyses identified the inhibitor targeting the binding of DNA Ligase 1 to UHRF1. Bioorg.Med.Chem., 52, 2021
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5GJF
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![BU of 5gjf by Molmil](/molmil-images/mine/5gjf) | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 3 | Descriptor: | N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-06-29 | Release date: | 2016-11-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD) Chem.Pharm.Bull., 64, 2016
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5GJG
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![BU of 5gjg by Molmil](/molmil-images/mine/5gjg) | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 4 | Descriptor: | N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-06-29 | Release date: | 2016-11-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD) Chem.Pharm.Bull., 64, 2016
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7SEL
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![BU of 7sel by Molmil](/molmil-images/mine/7sel) | E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3) | Descriptor: | (2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase | Authors: | Payandeh, J, Koth, C.M, Verma, V.A. | Deposit date: | 2021-09-30 | Release date: | 2022-03-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.978 Å) | Cite: | Discovery of Inhibitors of the Lipopolysaccharide Transporter MsbA: From a Screening Hit to Potent Wild-Type Gram-Negative Activity. J.Med.Chem., 65, 2022
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5GJD
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![BU of 5gjd by Molmil](/molmil-images/mine/5gjd) | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 2 | Descriptor: | 1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-06-29 | Release date: | 2016-11-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD) Chem.Pharm.Bull., 64, 2016
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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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3ONE
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![BU of 3one by Molmil](/molmil-images/mine/3one) | Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with adenine | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENINE, Adenosylhomocysteinase, ... | Authors: | Brzezinski, K, Jaskolski, M. | Deposit date: | 2010-08-28 | Release date: | 2011-08-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus). Acta Crystallogr.,Sect.D, 68, 2012
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3ONF
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![BU of 3onf by Molmil](/molmil-images/mine/3onf) | Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with cordycepin | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3'-DEOXYADENOSINE, Adenosylhomocysteinase, ... | Authors: | Brzezinski, K, Jaskolski, M. | Deposit date: | 2010-08-28 | Release date: | 2011-08-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus). Acta Crystallogr.,Sect.D, 68, 2012
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3OND
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![BU of 3ond by Molmil](/molmil-images/mine/3ond) | Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with adenosine | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE, Adenosylhomocysteinase, ... | Authors: | Brzezinski, K, Jaskolski, M. | Deposit date: | 2010-08-28 | Release date: | 2011-08-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus). Acta Crystallogr.,Sect.D, 68, 2012
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6IP6
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![BU of 6ip6 by Molmil](/molmil-images/mine/6ip6) | Cryo-EM structure of the CMV-stalled human 80S ribosome with HCV IRES (Structure iii) | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | Authors: | Yokoyama, T, Shigematsu, H, Shirouzu, M, Imataka, H, Ito, T. | Deposit date: | 2018-11-02 | Release date: | 2019-05-29 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | HCV IRES Captures an Actively Translating 80S Ribosome. Mol.Cell, 74, 2019
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6IP8
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![BU of 6ip8 by Molmil](/molmil-images/mine/6ip8) | Cryo-EM structure of the HCV IRES dependently initiated CMV-stalled 80S ribosome (Structure iv) | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | Authors: | Yokoyama, T, Shigematsu, H, Shirouzu, M, Imataka, H, Ito, T. | Deposit date: | 2018-11-02 | Release date: | 2019-05-29 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | HCV IRES Captures an Actively Translating 80S Ribosome. Mol.Cell, 74, 2019
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6IP5
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![BU of 6ip5 by Molmil](/molmil-images/mine/6ip5) | Cryo-EM structure of the CMV-stalled human 80S ribosome (Structure ii) | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | Authors: | Yokoyama, T, Shigematsu, H, Shirouzu, M, Imataka, H, Ito, T. | Deposit date: | 2018-11-02 | Release date: | 2019-05-29 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | HCV IRES Captures an Actively Translating 80S Ribosome. Mol.Cell, 74, 2019
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6JLY
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![BU of 6jly by Molmil](/molmil-images/mine/6jly) | eIF2a - eIF2B complex | Descriptor: | Eukaryotic translation initiation factor 2 subunit alpha, PHOSPHATE ION, Probable translation initiation factor eIF-2B subunit beta, ... | Authors: | Kashiwagi, K, Ito, T. | Deposit date: | 2019-03-07 | Release date: | 2019-05-01 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural basis for eIF2B inhibition in integrated stress response. Science, 364, 2019
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6K72
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![BU of 6k72 by Molmil](/molmil-images/mine/6k72) | eIF2(aP) - eIF2B complex | Descriptor: | Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 2, Eukaryotic translation initiation factor 2 subunit 3, ... | Authors: | Kashiwagi, K, Yokoyama, T, Ito, T. | Deposit date: | 2019-06-05 | Release date: | 2019-07-10 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural basis for eIF2B inhibition in integrated stress response. Science, 364, 2019
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6K71
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![BU of 6k71 by Molmil](/molmil-images/mine/6k71) | eIF2 - eIF2B complex | Descriptor: | Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 2, Eukaryotic translation initiation factor 2 subunit 3, ... | Authors: | Kashiwagi, K, Yokoyama, T, Ito, T. | Deposit date: | 2019-06-05 | Release date: | 2019-07-10 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural basis for eIF2B inhibition in integrated stress response. Science, 364, 2019
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5V7T
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![BU of 5v7t by Molmil](/molmil-images/mine/5v7t) | crystal structure of PARP14 bound to N-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine inhibitor | Descriptor: | N-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine, Poly [ADP-ribose] polymerase 14 | Authors: | saikatendu, k.s, Hirozane, M. | Deposit date: | 2017-03-20 | Release date: | 2017-05-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of PARP14 inhibitors using novel methods for detecting auto-ribosylation. Biochem. Biophys. Res. Commun., 486, 2017
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