1L9J
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![BU of 1l9j by Molmil](/molmil-images/mine/1l9j) | X-Ray Structure of the Cytochrome-c(2)-Photosynthetic Reaction Center Electron Transfer Complex from Rhodobacter sphaeroides in Type I Co-Crystals | 分子名称: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CHLORIDE ION, ... | 著者 | Axelrod, H.L, Abresch, E.C, Okamura, M.Y, Yeh, A.P, Rees, D.C, Feher, G. | 登録日 | 2002-03-24 | 公開日 | 2002-06-12 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | X-ray structure determination of the cytochrome c2: reaction center electron transfer complex from Rhodobacter sphaeroides. J.Mol.Biol., 319, 2002
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8HKD
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5OGI
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![BU of 5ogi by Molmil](/molmil-images/mine/5ogi) | Complex of a binding protein and human adenovirus C 5 hexon | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Schmid, M, Ernst, P, Honegger, A, Suomalainen, M, Zimmermann, M, Braun, L, Stauffer, S, Thom, C, Dreier, B, Eibauer, M, Kipar, A, Vogel, V, Greber, U.F, Medalia, O, Plueckthun, A. | 登録日 | 2017-07-13 | 公開日 | 2018-02-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Adenoviral vector with shield and adapter increases tumor specificity and escapes liver and immune control. Nat Commun, 9, 2018
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5EC2
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![BU of 5ec2 by Molmil](/molmil-images/mine/5ec2) | KcsA with V76ester+G77dA mutations | 分子名称: | Antibody Fab Fragment Light Chain, DIACYL GLYCEROL, NONAN-1-OL, ... | 著者 | Matulef, K, Valiyaveetil, F.I. | 登録日 | 2015-10-20 | 公開日 | 2016-04-20 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Individual Ion Binding Sites in the K(+) Channel Play Distinct Roles in C-type Inactivation and in Recovery from Inactivation. Structure, 24, 2016
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1A2I
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![BU of 1a2i by Molmil](/molmil-images/mine/1a2i) | SOLUTION STRUCTURE OF DESULFOVIBRIO VULGARIS (HILDENBOROUGH) FERROCYTOCHROME C3, NMR, 20 STRUCTURES | 分子名称: | CYTOCHROME C3, HEME C | 著者 | Messias, A.C, Kastrau, D.H.K, Costa, H.S, Legall, J, Turner, D.L, Santos, H, Xavier, A.V. | 登録日 | 1998-01-05 | 公開日 | 1998-07-08 | 最終更新日 | 2022-02-16 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of Desulfovibrio vulgaris (Hildenborough) ferrocytochrome c3: structural basis for functional cooperativity. J.Mol.Biol., 281, 1998
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5OUK
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![BU of 5ouk by Molmil](/molmil-images/mine/5ouk) | Crystal structure of human AKR1B1 complexed with NADP+ and compound 41 | 分子名称: | 2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Metwally, K, Podjarny, A. | 登録日 | 2017-08-24 | 公開日 | 2018-05-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (0.959 Å) | 主引用文献 | Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase. Eur J Med Chem, 152, 2018
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8A27
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![BU of 8a27 by Molmil](/molmil-images/mine/8a27) | EGFR kinase domain in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide | 分子名称: | (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide, 1,2-ETHANEDIOL, Epidermal growth factor receptor, ... | 著者 | Kuglstatter, A, Ehler, A. | 登録日 | 2022-06-02 | 公開日 | 2022-10-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib. J.Med.Chem., 65, 2022
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8A2D
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![BU of 8a2d by Molmil](/molmil-images/mine/8a2d) | EGFR kinase domain (L858R/V948R) in complex with 2-[4-(difluoromethyl)-6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-thiazol-2-yl-acetamide | 分子名称: | (2R)-2-[4-[bis(fluoranyl)methyl]-6-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)ethanamide, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Kuglstatter, A, Ehler, A. | 登録日 | 2022-06-03 | 公開日 | 2022-10-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib. J.Med.Chem., 65, 2022
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5ZKQ
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![BU of 5zkq by Molmil](/molmil-images/mine/5zkq) | Crystal structure of the human platelet-activating factor receptor in complex with ABT-491 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide, Platelet-activating factor receptor,Endolysin,Endolysin,Platelet-activating factor receptor, ... | 著者 | Cao, C, Zhao, Q, Zhang, X.C, Wu, B. | 登録日 | 2018-03-25 | 公開日 | 2018-06-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for signal recognition and transduction by platelet-activating-factor receptor. Nat. Struct. Mol. Biol., 25, 2018
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3ASO
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![BU of 3aso by Molmil](/molmil-images/mine/3aso) | Bovine heart cytochrome C oxidase in the fully oxidized state measured at 0.9 angstrom wavelength | 分子名称: | (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, ... | 著者 | Suga, M, Yano, N, Muramoto, K, Shinzawa-Itoh, K, Maeda, T, Yamashita, E, Tsukihara, T, Yoshikawa, S. | 登録日 | 2010-12-17 | 公開日 | 2011-08-03 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Distinguishing between Cl- and O2(2-) as the bridging element between Fe3+ and Cu2+ in resting-oxidized cytochrome c oxidase Acta Crystallogr.,Sect.D, 67, 2011
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3ASN
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![BU of 3asn by Molmil](/molmil-images/mine/3asn) | Bovine heart cytochrome C oxidase in the fully oxidized state measured at 1.7470 angstrom wavelength | 分子名称: | (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, ... | 著者 | Suga, M, Yano, N, Muramoto, K, Shinzawa-Itoh, K, Maeda, T, Yamashita, E, Tsukihara, T, Yoshikawa, S. | 登録日 | 2010-12-17 | 公開日 | 2011-08-03 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Distinguishing between Cl- and O2(2-) as the bridging element between Fe3+ and Cu2+ in resting-oxidized cytochrome c oxidase Acta Crystallogr.,Sect.D, 67, 2011
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6EPM
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![BU of 6epm by Molmil](/molmil-images/mine/6epm) | Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F1 | 分子名称: | (1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine, GLYCEROL, GTPase KRas, ... | 著者 | Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V. | 登録日 | 2017-10-12 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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1C87
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![BU of 1c87 by Molmil](/molmil-images/mine/1c87) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 2-(OXALYL-AMINO-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID | 分子名称: | 2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B) | 著者 | Iversen, L.F, Andersen, H.S, Mortensen, S.B, Moller, N.P. | 登録日 | 2000-04-16 | 公開日 | 2000-05-03 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-based design of a low molecular weight, nonphosphorus, nonpeptide, and highly selective inhibitor of protein-tyrosine phosphatase 1B. J.Biol.Chem., 275, 2000
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5EC1
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![BU of 5ec1 by Molmil](/molmil-images/mine/5ec1) | KcsA with V76ester mutation | 分子名称: | Antibody Fab Fragment Light Chain, DIACYL GLYCEROL, NONAN-1-OL, ... | 著者 | Matulef, K, Valiyaveetil, F.I. | 登録日 | 2015-10-20 | 公開日 | 2016-04-20 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Individual Ion Binding Sites in the K(+) Channel Play Distinct Roles in C-type Inactivation and in Recovery from Inactivation. Structure, 24, 2016
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1M1P
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![BU of 1m1p by Molmil](/molmil-images/mine/1m1p) | P21 crystal structure of the tetraheme cytochrome c3 from Shewanella oneidensis MR1 | 分子名称: | HEME C, SULFATE ION, Small tetraheme cytochrome c | 著者 | Leys, D, Meyer, T.E, Tsapin, A.I, Nealson, K.H, Cusanovich, M.A, Van Beeumen, J.J. | 登録日 | 2002-06-20 | 公開日 | 2002-08-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Crystal structures at atomic resolution reveal the novel concept of 'electron-harvesting' as a role for the small tetraheme cytochrome c J.Biol.Chem., 277, 2002
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7V3R
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![BU of 7v3r by Molmil](/molmil-images/mine/7v3r) | Crystal structure of CMET in complex with a novel inhibitor | 分子名称: | Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(2-phenylazanylpyrimidin-4-yl)oxy-phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | 著者 | Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C. | 登録日 | 2021-08-11 | 公開日 | 2022-08-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase J.Med.Chem., 66, 2023
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7V3S
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![BU of 7v3s by Molmil](/molmil-images/mine/7v3s) | Crystal structure of CMET in complex with a novel inhibitor | 分子名称: | Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | 著者 | Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C. | 登録日 | 2021-08-11 | 公開日 | 2022-08-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase J.Med.Chem., 66, 2023
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6LOD
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![BU of 6lod by Molmil](/molmil-images/mine/6lod) | Cryo-EM structure of the air-oxidized photosynthetic alternative complex III from Roseiflexus castenholzii | 分子名称: | Cytochrome c domain-containing protein, FE3-S4 CLUSTER, Fe-S-cluster-containing hydrogenase components 1-like protein, ... | 著者 | Shi, Y, Xin, Y.Y, Wang, C, Blankenship, R.E, Sun, F, Xu, X.L. | 登録日 | 2020-01-05 | 公開日 | 2020-11-04 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Cryo-EM structures of the air-oxidized and dithionite-reduced photosynthetic alternative complex III from Roseiflexus castenholzii . Sci Adv, 6, 2020
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1C88
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![BU of 1c88 by Molmil](/molmil-images/mine/1c88) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID | 分子名称: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B) | 著者 | Iversen, L.F, Andersen, H.S, Mortensen, S.B, Moller, N.P. | 登録日 | 2000-04-16 | 公開日 | 2000-05-03 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-based design of a low molecular weight, nonphosphorus, nonpeptide, and highly selective inhibitor of protein-tyrosine phosphatase 1B. J.Biol.Chem., 275, 2000
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8V80
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![BU of 8v80 by Molmil](/molmil-images/mine/8v80) | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and (-)-TQS | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | 著者 | Burke, S.M, Noviello, C.M, Hibbs, R.E. | 登録日 | 2023-12-04 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.34 Å) | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8V88
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![BU of 8v88 by Molmil](/molmil-images/mine/8v88) | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and GAT107 | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | 著者 | Burke, S.M, Noviello, C.M, Hibbs, R.E. | 登録日 | 2023-12-05 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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5NG5
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![BU of 5ng5 by Molmil](/molmil-images/mine/5ng5) | multi-drug efflux; membrane transport; RND superfamily; Drug resistance | 分子名称: | 6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile, Multidrug efflux pump accessory protein AcrZ, Multidrug efflux pump subunit AcrA, ... | 著者 | Wang, Z, Fan, G, Hryc, C.F, Blaza, J.N, Serysheva, I.I, Schmid, M.F, Chiu, W, Luisi, B.F, Du, D. | 登録日 | 2017-03-16 | 公開日 | 2017-04-19 | 最終更新日 | 2017-08-02 | 実験手法 | ELECTRON MICROSCOPY (6.5 Å) | 主引用文献 | An allosteric transport mechanism for the AcrAB-TolC Multidrug Efflux Pump. Elife, 6, 2017
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8V86
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![BU of 8v86 by Molmil](/molmil-images/mine/8v86) | Alpha7-nicotinic acetylcholine receptor bound to GAT107 | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | 著者 | Burke, S.M, Noviello, C.M, Hibbs, R.E. | 登録日 | 2023-12-04 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.47 Å) | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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7TGG
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![BU of 7tgg by Molmil](/molmil-images/mine/7tgg) | Cryo-EM structure of PilA-N and PilA-C from Geobacter sulfurreducens | 分子名称: | Geopilin domain 1 protein, Geopilin domain 2 protein | 著者 | Wang, F, Mustafa, K, Chan, C.H, Joshi, K, Bond, D.R, Hochbaum, A.I, Egelman, E.H. | 登録日 | 2022-01-07 | 公開日 | 2022-02-23 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Cryo-EM structure of an extracellular Geobacter OmcE cytochrome filament reveals tetrahaem packing. Nat Microbiol, 7, 2022
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3ME6
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![BU of 3me6 by Molmil](/molmil-images/mine/3me6) | Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug clopidogrel | 分子名称: | Clopidogrel, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Gay, S.C, Roberts, A.G, Maekawa, K, Talakad, J.C, Hong, W.X, Zhang, Q, Stout, C.D, Halpert, J.R. | 登録日 | 2010-03-31 | 公開日 | 2010-09-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel. Biochemistry, 49, 2010
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