1K39
 
 | | The structure of yeast delta3-delta2-enoyl-COA isomerase complexed with octanoyl-COA | | 分子名称: | OCTANOYL-COENZYME A, PHOSPHATE ION, d3,d2-enoyl CoA isomerase ECI1 | | 著者 | Mursula, A.M, Geerlof, A, Hiltunen, J.K, Wierenga, R.K. | | 登録日 | 2001-10-02 | | 公開日 | 2003-08-05 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (3.29 Å) | | 主引用文献 |
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6ZE8
 | | Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound OATD-01 | | 分子名称: | 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4H-1,2,4-triazol-3-amine, Chitotriosidase-1, GLYCEROL, ... | | 著者 | Nowotny, M, Bartlomiejczak, A, Napiorkowska-Gromadzka, A. | | 登録日 | 2020-06-16 | | 公開日 | 2020-11-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Discovery of OATD-01 , a First-in-Class Chitinase Inhibitor as Potential New Therapeutics for Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 63, 2020
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6ZID
 | | Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 5 ps (b) structure | | 分子名称: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | 著者 | Baath, P, Dods, R, Braenden, G, Neutze, R. | | 登録日 | 2020-06-25 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
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5ESB
 | | Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Vaniprevir | | 分子名称: | (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide, NS3 protease, SULFATE ION, ... | | 著者 | Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A. | | 登録日 | 2015-11-16 | | 公開日 | 2016-11-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease.
J.Am.Chem.Soc., 138, 2016
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6ZIZ
 | | CRYSTAL STRUCTURE OF NRAS Q61R IN COMPLEX WITH GTP AND COMPOUND 18 | | 分子名称: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Kessler, D, Fischer, G, Boettcher, J. | | 登録日 | 2020-06-26 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.785 Å) | | 主引用文献 | Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
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5EE4
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1KBG
 | | MHC Class I H-2KB Presented Glycopeptide RGY8-6H-GAL2 | | 分子名称: | 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, PROTEIN (BETA-2-MICROGLOBULIN), ... | | 著者 | Speir, J.A, Abdel-Motal, U.M, Jondal, M, Wilson, I.A. | | 登録日 | 1998-08-28 | | 公開日 | 1999-02-09 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of an MHC class I presented glycopeptide that generates carbohydrate-specific CTL.
Immunity, 10, 1999
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7SMR
 | | Cryo-EM structure of Torpedo acetylcholine receptor in complex with carbachol, desensitized state | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Rahman, M.M, Basta, T, Teng, J, Lee, M, Worrell, B.T, Stowell, M.H.B, Hibbs, R.E. | | 登録日 | 2021-10-26 | | 公開日 | 2022-03-09 | | 最終更新日 | 2022-04-27 | | 実験手法 | ELECTRON MICROSCOPY (2.77 Å) | | 主引用文献 | Structural mechanism of muscle nicotinic receptor desensitization and block by curare.
Nat.Struct.Mol.Biol., 29, 2022
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5EKM
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5EFC
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6ZJN
 | | Respiratory complex I from Thermus thermophilus, NADH dataset, minor state | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, NADH-quinone oxidoreductase subunit 1, ... | | 著者 | Kaszuba, K, Tambalo, M, Gallagher, G.T, Sazanov, L.A. | | 登録日 | 2020-06-29 | | 公開日 | 2020-09-02 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (6.1 Å) | | 主引用文献 | Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
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6ZI0
 | | Crystal structure of the isolated H. influenzae VapD toxin (wildtype) | | 分子名称: | Endoribonuclease VapD | | 著者 | Bertelsen, M.B, Senissar, M, Nielsen, M.H, Bisiak, F, Cunha, M.V, Molinaro, A.L, Daines, D.A, Brodersen, D.E. | | 登録日 | 2020-06-24 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural Basis for Toxin Inhibition in the VapXD Toxin-Antitoxin System.
Structure, 29, 2021
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7SMM
 | | Cryo-EM structure of Torpedo acetylcholine receptor in apo form | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Rahman, M.M, Basta, T, Teng, J, Lee, M, Worrell, B.T, Stowell, M.H.B, Hibbs, R.E. | | 登録日 | 2021-10-26 | | 公開日 | 2022-03-09 | | 最終更新日 | 2022-04-27 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Structural mechanism of muscle nicotinic receptor desensitization and block by curare.
Nat.Struct.Mol.Biol., 29, 2022
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7SMQ
 | | Cryo-EM structure of Torpedo acetylcholine receptor in apo form with added cholesterol | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Rahman, M.M, Basta, T, Teng, J, Lee, M, Worrell, B.T, Stowell, M.H.B, Hibbs, R.E. | | 登録日 | 2021-10-26 | | 公開日 | 2022-03-09 | | 最終更新日 | 2022-04-27 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Structural mechanism of muscle nicotinic receptor desensitization and block by curare.
Nat.Struct.Mol.Biol., 29, 2022
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6Z94
 | | [4Fe-4S]-dependent thiouracil desulfidase TudS (DUF523Vcz)(S-SAD data) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DUF523 domain-containing protein, ... | | 著者 | Pecqueur, L, Zhou, J, Fontecave, M, Golinelli-Pimpaneau, B. | | 登録日 | 2020-06-03 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.759 Å) | | 主引用文献 | Structural Evidence for a [4Fe-5S] Intermediate in the Non-Redox Desulfuration of Thiouracil.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6Z2G
 | | Crystal structure of human NLRP9 PYD | | 分子名称: | NACHT, LRR and PYD domains-containing protein 9 | | 著者 | Marleaux, M, Anand, K, Geyer, M. | | 登録日 | 2020-05-15 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal structure of the human NLRP9 pyrin domain suggests a distinct mode of inflammasome assembly.
Febs Lett., 594, 2020
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6Z2K
 | | The structure of the tetrameric HDAC1/MIDEAS/DNTTIP1 MiDAC deacetylase complex | | 分子名称: | Deoxynucleotidyltransferase terminal-interacting protein 1, Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, ... | | 著者 | Fairall, L, Saleh, A, Ragan, T.J, Millard, C.J, Savva, C.G, Schwabe, J.W.R. | | 登録日 | 2020-05-16 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | The MiDAC histone deacetylase complex is essential for embryonic development and has a unique multivalent structure.
Nat Commun, 11, 2020
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6T1P
 | | ASR Alternansucrase in complex with isomaltononaose | | 分子名称: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ... | | 著者 | Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. | | 登録日 | 2019-10-04 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation.
J.Biol.Chem., 295, 2020
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5W5N
 | | Crystal structure of human IgG4-Sigma2 Fc fragment | | 分子名称: | ACETATE ION, GLYCEROL, Immunoglobulin heavy constant gamma 4, ... | | 著者 | Armstrong, A.A, Gilliland, G.L. | | 登録日 | 2017-06-15 | | 公開日 | 2017-09-13 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Functional, Biophysical, and Structural Characterization of Human IgG1 and IgG4 Fc Variants with Ablated Immune Functionality.
Antibodies, 6, 2017
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7SMS
 | | Cryo-EM structure of Torpedo acetylcholine receptor in complex with d-tubocurarine | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine receptor subunit alpha, ... | | 著者 | Rahman, M.M, Basta, T, Teng, J, Lee, M, Worrell, B.T, Stowell, M.H.B, Hibbs, R.E. | | 登録日 | 2021-10-26 | | 公開日 | 2022-03-09 | | 最終更新日 | 2022-04-27 | | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | | 主引用文献 | Structural mechanism of muscle nicotinic receptor desensitization and block by curare.
Nat.Struct.Mol.Biol., 29, 2022
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5ENB
 | | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with o-Tolylthiourea (SGC - Diamond I04-1 fragment screening) | | 分子名称: | 1,2-ETHANEDIOL, 1-(2-methylphenyl)thiourea, PH-interacting protein | | 著者 | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | | 登録日 | 2015-11-09 | | 公開日 | 2016-04-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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6ZDF
 | | Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with HEPES | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glycoprotein endo-alpha-1,2-mannosidase | | 著者 | Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J. | | 登録日 | 2020-06-14 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5ENI
 | | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-13 N11537 (SGC - Diamond I04-1 fragment screening) | | 分子名称: | PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide | | 著者 | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | | 登録日 | 2015-11-09 | | 公開日 | 2016-04-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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6Z3A
 | | Mec1-Ddc2 (wild-type) in complex with AMP-PNP | | 分子名称: | DNA damage checkpoint protein LCD1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase MEC1, ... | | 著者 | Yates, L.A, Zhang, X. | | 登録日 | 2020-05-19 | | 公開日 | 2020-11-11 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Mechanism of auto-inhibition and activation of Mec1 ATR checkpoint kinase.
Nat.Struct.Mol.Biol., 28, 2021
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7SMT
 | | Cryo-EM structure of Torpedo acetylcholine receptor in complex with d-tubocurarine and carbachol | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Rahman, M.M, Basta, T, Teng, J, Lee, M, Worrell, B.T, Stowell, M.H.B, Hibbs, R.E. | | 登録日 | 2021-10-26 | | 公開日 | 2022-03-09 | | 最終更新日 | 2022-04-27 | | 実験手法 | ELECTRON MICROSCOPY (2.56 Å) | | 主引用文献 | Structural mechanism of muscle nicotinic receptor desensitization and block by curare.
Nat.Struct.Mol.Biol., 29, 2022
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