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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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
| 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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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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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
| 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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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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7XMA
| Crystal structure of Bovine heart cytochrome c oxidase, apo structure with DMSO | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Takashima, S, Shintani, Y. | Deposit date: | 2022-04-25 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 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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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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1CYD
| CARBONYL REDUCTASE COMPLEXED WITH NADPH AND 2-PROPANOL | Descriptor: | CARBONYL REDUCTASE, ISOPROPYL ALCOHOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Tanaka, N, Nonaka, T, Mitsui, Y. | Deposit date: | 1995-09-01 | Release date: | 1996-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the ternary complex of mouse lung carbonyl reductase at 1.8 A resolution: the structural origin of coenzyme specificity in the short-chain dehydrogenase/reductase family. Structure, 4, 1996
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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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5V7W
| Crystal structure of human PARP14 bound to 2-{[(1-methylpiperidin-4-yl)methyl]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one inhibitor | Descriptor: | 2-{[(1-methylpiperidin-4-yl)methyl]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Poly [ADP-ribose] polymerase 14 | Authors: | saikatendu, k.s, Hirozane, M. | Deposit date: | 2017-03-20 | Release date: | 2017-05-10 | Last modified: | 2018-11-14 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Identification of PARP14 inhibitors using novel methods for detecting auto-ribosylation. Biochem. Biophys. Res. Commun., 486, 2017
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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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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: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.52 Å) | Cite: | Structural basis for activation of DNMT1. Nat Commun, 13, 2022
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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: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.23 Å) | Cite: | Structural basis for activation of DNMT1. Nat Commun, 13, 2022
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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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7VLK
| eIF2B-SFSV NSs C2-imposed | Descriptor: | Non-structural protein NS-S, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ... | Authors: | Kashiwagi, K, Ito, T. | Deposit date: | 2021-10-04 | Release date: | 2021-12-01 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.27 Å) | Cite: | eIF2B-capturing viral protein NSs suppresses the integrated stress response. Nat Commun, 12, 2021
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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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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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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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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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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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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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4LVC
| Crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii in complex with adenosine | Descriptor: | ACETATE ION, ADENOSINE, AMMONIUM ION, ... | Authors: | Manszewski, T, Singh, K, Imiolczyk, B, Jaskolski, M. | Deposit date: | 2013-07-26 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | An enzyme captured in two conformational states: crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii. Acta Crystallogr.,Sect.D, 71, 2015
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7F67
| eIF2B-SFSV NSs-2-eIF2 | Descriptor: | Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 3, Non-structural protein NS-S, ... | Authors: | Kashiwagi, K, Ito, T. | Deposit date: | 2021-06-24 | Release date: | 2021-12-01 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | eIF2B-capturing viral protein NSs suppresses the integrated stress response. Nat Commun, 12, 2021
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