4YXD
 
 | | CRYSTAL STRUCTURE OF PORCINE HEART MITOCHONDRIAL COMPLEX II BOUND WITH flutolanil | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K. | | 登録日 | 2015-03-23 | | 公開日 | 2016-03-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria
Int J Mol Sci, 16, 2015
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2OOI
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5CQ2
 | | Crystal Structure of tandem WW domains of ITCH in complex with TXNIP peptide | | 分子名称: | E3 ubiquitin-protein ligase Itchy homolog, Thioredoxin-interacting protein, UNKNOWN ATOM OR ION | | 著者 | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2015-07-21 | | 公開日 | 2015-09-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural basis for the regulatory role of the PPxY motifs in the thioredoxin-interacting protein TXNIP.
Biochem.J., 473, 2016
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7A09
 | | Structure of a human ABCE1-bound 43S pre-initiation complex - State III | | 分子名称: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | 著者 | Kratzat, H, Mackens-Kiani, T, Ameismeier, A, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | 登録日 | 2020-08-07 | | 公開日 | 2020-10-14 | | 最終更新日 | 2021-01-13 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | A structural inventory of native ribosomal ABCE1-43S pre-initiation complexes.
Embo J., 40, 2021
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5CQ8
 | | Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 4'-Hydroxyacetophenone (SGC - Diamond I04-1 fragment screening) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, P-HYDROXYACETOPHENONE | | 著者 | Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-07-21 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.651 Å) | | 主引用文献 | Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 4'-Hydroxyacetophenone (SGC - Diamond I04-1 fragment screening)
To be published
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3GB7
 | | Potassium Channel KcsA-Fab complex in Li+ | | 分子名称: | DIACYL GLYCEROL, NICKEL (II) ION, Voltage-gated potassium channel, ... | | 著者 | Thompson, A.N, Ilsoo, K, Panosian, T.D, Iverson, T.M, Allen, T.W, Nimigean, C.M. | | 登録日 | 2009-02-18 | | 公開日 | 2009-11-17 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Mechanism of potassium-channel selectivity revealed by Na(+) and Li(+) binding sites within the KcsA pore.
Nat.Struct.Mol.Biol., 16, 2009
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7G1W
 | | Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid | | 分子名称: | 5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid, Fatty acid-binding protein, adipocyte | | 著者 | Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G. | | 登録日 | 2023-04-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
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2KPB
 | | Specific motifs of the V-ATPase a2-subunit isoform interact with catalytic and regulatory domains of ARNO | | 分子名称: | ARNO-p(375-400) | | 著者 | Merkulova, M, Bakulina, A, Thaker, Y.R, Gr ber, G, Marshansky, V. | | 登録日 | 2009-10-11 | | 公開日 | 2010-03-02 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Specific motifs of the V-ATPase a2-subunit isoform interact with catalytic and regulatory domains of ARNO
Biochim.Biophys.Acta, 2010
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7RKS
 | | Structure of the SARS-CoV receptor binding domain in complex with the human neutralizing antibody Fab fragment, C118 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, C118 Antibody Fab Heavy Chain, ... | | 著者 | Jette, C.A, Bjorkman, P.J, Barnes, C.O. | | 登録日 | 2021-07-22 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Broad cross-reactivity across sarbecoviruses exhibited by a subset of COVID-19 donor-derived neutralizing antibodies.
Cell Rep, 36, 2021
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7TXW
 | | Crystal structure of the complex of the malaria sexual stage protein and vaccine target Pfs25 with the Fab fragment of a transmission blocking antibody 1G2 | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOL, ... | | 著者 | Singh, K, Gittis, A.G, Garboczi, D.N. | | 登録日 | 2022-02-10 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Structural and immunological differences in Plasmodium falciparum sexual stage transmission-blocking vaccines comprised of Pfs25-EPA nanoparticles.
Npj Vaccines, 8, 2023
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5MMN
 | | E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[8-methyl-5-(2-methyl-pyridin-4-yl)-isoquinolin-3-yl]-urea | | 分子名称: | 1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea, DNA gyrase subunit B | | 著者 | Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G. | | 登録日 | 2016-12-12 | | 公開日 | 2017-04-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.
J. Med. Chem., 60, 2017
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6PIV
 | | Crystal structure of HCV NS3/4A D168A protease in complex with P4-7 (NR03-77) | | 分子名称: | (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, 1,2-ETHANEDIOL, NS3/4A protease, ... | | 著者 | Zephyr, J, Schiffer, C.A. | | 登録日 | 2019-06-27 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
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6PJ0
 | | Crystal structure of HCV NS3/4A D168A protease in complex with P4-5 (NR01-97) | | 分子名称: | 1,2-ETHANEDIOL, 1-ethylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, NS3/4 Aprotease, ... | | 著者 | Zephyr, J, Schiffer, C.A. | | 登録日 | 2019-06-27 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
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4LKF
 | | Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with GalA-WKY at 1.64 A Resolution | | 分子名称: | CALCIUM ION, P-HYDROXYBENZOIC ACID, PA-I galactophilic lectin, ... | | 著者 | Kadam, R.U, Stocker, A, Reymond, J.-L. | | 登録日 | 2013-07-07 | | 公開日 | 2013-12-18 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Structure-Based Optimization of the Terminal Tripeptide in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting LecA.
Chemistry, 19, 2013
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8QDF
 | | Engineered LmrR with Met-89 replaced by para-boronophenylalanine | | 分子名称: | Transcriptional regulator, PadR-like family | | 著者 | Thunnissen, A.M.W.H, Rozeboom, H.J, Longwitz, L, Leveson-Gower, R.B, Roelfes, G. | | 登録日 | 2023-08-29 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Boron catalysis in a designer enzyme.
Nature, 629, 2024
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5K0L
 | | Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ... | | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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5K10
 | | Cryo-EM structure of isocitrate dehydrogenase (IDH1) | | 分子名称: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | | 登録日 | 2016-05-17 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
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8DQR
 | | Crystal structure of Arabidopsis thaliana COSY in complex with scopoletin | | 分子名称: | CALCIUM ION, COENZYME A, Coumarin Synthase, ... | | 著者 | Kim, C.Y, Mitchell, A.J, Gutierrez, M, Weng, J.K. | | 登録日 | 2022-07-19 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Emergence of a proton exchange-based isomerization and lactonization mechanism in the plant coumarin synthase COSY.
Nat Commun, 14, 2023
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6S8M
 | | S. pombe microtubule decorated with Cut7 motor domain in the AMPPNP state | | 分子名称: | 7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Moores, C.A, von Loeffelholz, O. | | 登録日 | 2019-07-10 | | 公開日 | 2019-08-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Cryo-EM Structure (4.5- angstrom ) of Yeast Kinesin-5-Microtubule Complex Reveals a Distinct Binding Footprint and Mechanism of Drug Resistance.
J.Mol.Biol., 431, 2019
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6XD4
 | | CDC-like protein | | 分子名称: | ACETATE ION, Hemolysin, SODIUM ION | | 著者 | Morton, C.J, Parker, M.W, Lawrence, S.L, Johnstone, B.A, Tweten, R.K. | | 登録日 | 2020-06-09 | | 公開日 | 2021-04-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Key Motif in the Cholesterol-Dependent Cytolysins Reveals a Large Family of Related Proteins.
Mbio, 11, 2020
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7RKU
 | | Structure of the SARS-CoV-2 receptor binding domain in complex with the human neutralizing antibody Fab fragment, C022 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C022 Antibody Fab Heavy Chain, C022 Antibody Fab Light Chain, ... | | 著者 | Jette, C.A, Bjorkman, P.J, Barnes, C.O. | | 登録日 | 2021-07-22 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Broad cross-reactivity across sarbecoviruses exhibited by a subset of COVID-19 donor-derived neutralizing antibodies.
Cell Rep, 36, 2021
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6C1U
 | | MBD2 in complex with a deoxy-oligonucleotide | | 分子名称: | 12-mer DNA, Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION | | 著者 | Lei, M, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2018-01-05 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA.
J. Biol. Chem., 293, 2018
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2KND
 | | Psb27 structure from Synechocystis | | 分子名称: | Photosystem II 11 kDa protein | | 著者 | Cormann, K.U, Nowaczyk, M.M, Bangert, J.-A, Ikeuchi, M, Roegner, M, Stoll, R. | | 登録日 | 2009-08-21 | | 公開日 | 2009-09-01 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of Psb27 in solution: implications for transient binding to photosystem II during biogenesis and repair
Biochemistry, 48, 2009
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4Z47
 | | Structure of the enzyme-product complex resulting from TDG action on a GU mismatch in the presence of excess base | | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, DNA, ... | | 著者 | Pozharski, E, Malik, S.S, Drohat, A.C. | | 登録日 | 2015-04-01 | | 公開日 | 2015-09-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA.
Nucleic Acids Res., 43, 2015
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6C2M
 | | Crystal structure of HCV NS3/4A protease variant Y56H in complex with MK-5172 | | 分子名称: | (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide, NS3 protease, SULFATE ION, ... | | 著者 | Matthew, A.N, Schiffer, C.A. | | 登録日 | 2018-01-08 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.859 Å) | | 主引用文献 | Clinical signature variant of HCV NS3/4A protease uses a novel mechanism to confer resistance
To Be Published
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