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7OKG
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BU of 7okg by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 8e
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2021-05-17
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket.
J.Med.Chem., 64, 2021
7OKK
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Crystal structure of human BCL6 BTB domain in complex with compound 12e
分子名称: 1,2-ETHANEDIOL, 2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-ethanamide, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2021-05-17
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket.
J.Med.Chem., 64, 2021
7PQ0
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BU of 7pq0 by Molmil
Crystal structure of the Burkholderia Lethal Factor 1 (BLF1) C94S inactive mutant in complex with human eIF4A - Crystal form B
分子名称: Burkholderia Lethal Factor 1 (BLF1), Eukaryotic initiation factor 4A-I
著者Mobbs, G.W, Aziz, A.A, Dix, S.R, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W.
登録日2021-09-15
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1.
Commun Biol, 5, 2022
7PPZ
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Crystal structure of the Burkholderia Lethal Factor 1 (BLF1) C94S inactive mutant in complex with human eIF4A - Crystal form A
分子名称: Burkholderia Lethal Factor 1 (BLF1), Eukaryotic initiation factor 4A-I
著者Mobbs, G.W, Aziz, A.A, Dix, S.R, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W.
登録日2021-09-15
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1.
Commun Biol, 5, 2022
5ZFM
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BU of 5zfm by Molmil
Ketoreductase LbCR mutant - M6
分子名称: 3-oxoacyl-acyl carrier protein reductase
著者Gong, X.M, Zheng, G.W, Xu, J.H.
登録日2018-03-06
公開日2019-01-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of an Engineered Ketoreductase with Simultaneously Improved Thermostability and Activity for Making a Bulky Atorvastatin Precursor
Acs Catalysis, 9, 2019
5ZI0
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BU of 5zi0 by Molmil
Ketoreductase LbCR mutant - M8
分子名称: 3-oxoacyl-acyl carrier protein reductase
著者Gong, X.M, Zheng, G.W, Xu, J.H.
登録日2018-03-14
公開日2019-01-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Development of an Engineered Ketoreductase with Simultaneously Improved Thermostability and Activity for Making a Bulky Atorvastatin Precursor
Acs Catalysis, 9, 2019
7SK2
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BU of 7sk2 by Molmil
Human wildtype GABA reuptake transporter 1 in complex with tiagabine, inward-open conformation
分子名称: Sodium- and chloride-dependent GABA transporter 1, Tiagabine
著者Gati, C, Motiwala, Z, Aduri, N.G, Shaye, H, Han, G.W, Cherezov, V.
登録日2021-10-19
公開日2022-06-08
最終更新日2022-07-06
実験手法ELECTRON MICROSCOPY (3.82 Å)
主引用文献Structural basis of GABA reuptake inhibition.
Nature, 606, 2022
6WQA
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BU of 6wqa by Molmil
2.0A angstrom A2a adenosine receptor structure using XFEL data collected in helium atmosphere.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
著者Lee, M.-Y, Geiger, J, Ishchenko, A, Han, G.W, Barty, A, White, T.A, Gati, C, Batyuk, A, Hunter, M.S, Aquila, A, Boutet, S, Weierstall, U, Cherezov, V, Liu, W.
登録日2020-04-28
公開日2020-11-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase
Iucrj, 7, 2020
7Q7S
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BU of 7q7s by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 4
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2021-11-09
公開日2022-06-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.
J.Med.Chem., 65, 2022
6X94
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BU of 6x94 by Molmil
An orthogonal seryl-tRNA synthetase/tRNA pair for noncanonical amino acid mutagenesis in Escherichia coli
分子名称: 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Zambaldo, C, Koh, M, Nasertorabi, F, Han, G.W, Chatterjee, A, Stevens, R.C, Schultz, P.G.
登録日2020-06-02
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献An orthogonal seryl-tRNA synthetase/tRNA pair for noncanonical amino acid mutagenesis in Escherichia coli.
Bioorg.Med.Chem., 28, 2020
7RCV
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BU of 7rcv by Molmil
High-resolution structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803
分子名称: (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Gisriel, C.J, Brudvig, G.W.
登録日2021-07-08
公開日2021-12-29
最終更新日2022-01-05
実験手法ELECTRON MICROSCOPY (2.01 Å)
主引用文献High-resolution cryo-electron microscopy structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803.
Proc.Natl.Acad.Sci.USA, 119, 2022
7S3D
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BU of 7s3d by Molmil
Structure of photosystem I with bound ferredoxin from Synechococcus sp. PCC 7335 acclimated to far-red light
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2Fe-2S ferredoxin-type domain-containing protein, ...
著者Gisriel, C.J, Flesher, D.A, Shen, G, Wang, J, Ho, M, Brudvig, G.W, Bryant, D.A.
登録日2021-09-05
公開日2021-11-24
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献Structure of a photosystem I-ferredoxin complex from a marine cyanobacterium provides insights into far-red light photoacclimation.
J.Biol.Chem., 298, 2021
7SA3
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BU of 7sa3 by Molmil
Structure of a monomeric photosystem II core complex from a cyanobacterium acclimated to far-red light
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
著者Gisriel, C.J, Bryant, D.A, Brudvig, G.W.
登録日2021-09-22
公開日2021-12-01
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.25 Å)
主引用文献Structure of a monomeric photosystem II core complex from a cyanobacterium acclimated to far-red light reveals the functions of chlorophylls d and f.
J.Biol.Chem., 298, 2021
6AQF
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BU of 6aqf by Molmil
Crystal structure of A2AAR-BRIL in complex with the antagonist ZM241385 produced from Pichia pastoris
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
著者Eddy, M.T, Lee, M.Y, Gao, Z, White, K, Didenko, T, Horst, R, Audet, M, Stanczak, P, McClary, K.M, Han, G.W, Jacobson, K.A, Stevens, R.C, Wuthrich, K.
登録日2017-08-19
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Allosteric Coupling of Drug Binding and Intracellular Signaling in the A2A Adenosine Receptor.
Cell, 172, 2018
7TBM
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BU of 7tbm by Molmil
Composite structure of the dilated human nuclear pore complex (NPC) generated with a 37A in situ cryo-ET map of CD4+ T cell NPC
分子名称: DDX19, NUP107 CTD, NUP107 NTD, ...
著者Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
登録日2021-12-22
公開日2022-06-15
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (37 Å)
主引用文献Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7TBK
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BU of 7tbk by Molmil
Composite structure of the dilated human nuclear pore complex (NPC) symmetric core generated with a 37A in situ cryo-ET map of CD4+ T cell NPC
分子名称: NUP107 CTD, NUP107 NTD, NUP133, ...
著者Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A.
登録日2021-12-22
公開日2022-06-15
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (37 Å)
主引用文献Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
7TBI
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BU of 7tbi by Molmil
Composite structure of the S. cerevisiae nuclear pore complex (NPC)
分子名称: Dyn2, Nic96 R1, Nic96 R2, ...
著者Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A.
登録日2021-12-22
公開日2022-06-15
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (25 Å)
主引用文献Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
7TBJ
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BU of 7tbj by Molmil
Composite structure of the human nuclear pore complex (NPC) symmetric core generated with a 12A cryo-ET map of the purified HeLa cell NPC
分子名称: NUP107 CTD, NUP107 NTD, NUP133, ...
著者Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A.
登録日2021-12-22
公開日2022-06-22
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (23 Å)
主引用文献Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
7TBL
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BU of 7tbl by Molmil
Composite structure of the human nuclear pore complex (NPC) cytoplasmic face generated with a 12A cryo-ET map of the purified HeLa cell NPC
分子名称: DDX19, ELYS, GLE1, ...
著者Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
登録日2021-12-22
公開日2022-06-22
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (23 Å)
主引用文献Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
6ALI
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BU of 6ali by Molmil
Solution NMR structure of a putative thioredoxin (ECH_0218) in the oxidized state from Ehrlichia chaffeensis, the etiological agent responsible for human monocytic ehrlichiosis. Seattle Structural Genomics Center for Infectious Disease target EhchA.00546.a
分子名称: Thioredoxin
著者Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-08-08
公開日2017-09-06
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution NMR structures of oxidized and reduced Ehrlichia chaffeensis thioredoxin: NMR-invisible structure owing to backbone dynamics.
Acta Crystallogr F Struct Biol Commun, 74, 2018
7SUS
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BU of 7sus by Molmil
Crystal structure of Apelin receptor in complex with small molecule
分子名称: (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apelin receptor, ...
著者Xu, F, Yue, Y, Liu, L.E, Han, G.W, Hanson, M.
登録日2021-11-18
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural insight into apelin receptor-G protein stoichiometry.
Nat.Struct.Mol.Biol., 29, 2022
6BQG
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BU of 6bqg by Molmil
Crystal structure of 5-HT2C in complex with ergotamine
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, Ergotamine
著者Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z.
登録日2017-11-27
公開日2018-02-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
6AMR
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BU of 6amr by Molmil
Solution NMR structure of a putative thioredoxin (ECH_0218) in the reduced state from Ehrlichia chaffeensis, the etiological agent responsible for human monocytic ehrlichiosis. Seattle Structural Genomics Center for Infectious Disease target EhchA.00546.a
分子名称: Thioredoxin
著者Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-08-11
公開日2017-09-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR structures of oxidized and reduced Ehrlichia chaffeensis thioredoxin: NMR-invisible structure owing to backbone dynamics.
Acta Crystallogr F Struct Biol Commun, 74, 2018
5DHG
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BU of 5dhg by Molmil
The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with C-35 (PSI Community Target)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide, OLEIC ACID, ...
著者Miller, R.L, Thompson, A.A, Trapella, C, Guerrini, R, Malfacini, D, Patel, N, Han, G.W, Cherezov, V, Calo, G, Katritch, V, Stevens, R.C, GPCR Network (GPCR)
登録日2015-08-30
公開日2015-10-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled Receptor.
Structure, 23, 2015
5DHH
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BU of 5dhh by Molmil
The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with SB-612111 (PSI Community Target)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (5S,7S)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol, OLEIC ACID, ...
著者Miller, R.L, Thompson, A.A, Trapella, C, Guerrini, R, Malfacini, D, Patel, N, Han, G.W, Cherezov, V, Calo, G, Katritch, V, Stevens, R.C, GPCR Network (GPCR)
登録日2015-08-31
公開日2015-10-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled Receptor.
Structure, 23, 2015

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