2M70
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7PYR
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![BU of 7pyr by Molmil](/molmil-images/mine/7pyr) | Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2115 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | 著者 | Claff, T, Klapschinski, T.A, Tiruttani Subhramanyam, U.K, Vaassen, V.J, Schlegel, J.G, Vielmuth, C, Voss, J.H, Labahn, J, Muller, C.E. | 登録日 | 2021-10-11 | 公開日 | 2022-03-02 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Single Stabilizing Point Mutation Enables High-Resolution Co-Crystal Structures of the Adenosine A 2A Receptor with Preladenant Conjugates. Angew.Chem.Int.Ed.Engl., 61, 2022
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7PX4
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![BU of 7px4 by Molmil](/molmil-images/mine/7px4) | Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2113 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | 著者 | Claff, T, Klapschinski, T.A, Tiruttani Subhramanyam, U.K, Vaassen, V.J, Schlegel, J.G, Vielmuth, C, Voss, J.H, Labahn, J, Muller, C.E. | 登録日 | 2021-10-07 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Single Stabilizing Point Mutation Enables High-Resolution Co-Crystal Structures of the Adenosine A 2A Receptor with Preladenant Conjugates. Angew.Chem.Int.Ed.Engl., 61, 2022
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1BJT
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1BIW
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![BU of 1biw by Molmil](/molmil-images/mine/1biw) | DESIGN AND SYNTHESIS OF CONFORMATIONALLY-CONSTRAINED MMP INHIBITORS | 分子名称: | CALCIUM ION, N1-HYDROXY-2-(3-HYDROXY-PROPYL)-3-ISOBUTYL-N4-[1-(2-METHOXY-ETHYL)-2-OXO-AZEPAN-3-YL]-SUCCINAMIDE, PROTEIN (STROMELYSIN-1 COMPLEX), ... | 著者 | Natchus, M.G, Cheng, M, Wahl, C.T, Pikul, S, Almstead, N.G, Bradley, R.S, Taiwo, Y.O, Mieling, G.E, Dunaway, C.M, Snider, C.E, McIver, J.M, Barnett, B.L, McPhail, S.J, Anastasio, M.B, De, B. | 登録日 | 1998-06-19 | 公開日 | 1999-07-16 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Design and synthesis of conformationally-constrained MMP inhibitors. Bioorg.Med.Chem.Lett., 8, 1998
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1BO5
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![BU of 1bo5 by Molmil](/molmil-images/mine/1bo5) | CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN ESCHERICHIA COLI GLYCEROL KINASE AND THE ALLOSTERIC REGULATOR FRUCTOSE 1,6-BISPHOSPHATE. | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, PROTEIN (GLYCEROL KINASE) | 著者 | Ormo, M, Bystrom, C.E, Remington, S.J. | 登録日 | 1998-08-10 | 公開日 | 1999-01-13 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Crystal structure of a complex of Escherichia coli glycerol kinase and an allosteric effector fructose 1,6-bisphosphate. Biochemistry, 37, 1998
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1BOT
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![BU of 1bot by Molmil](/molmil-images/mine/1bot) | CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN ESCHERICHIA COLI GLYCEROL KINASE AND THE ALLOSTERIC REGULATOR FRUCTOSE 1,6-BISPHOSPHATE. | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, PROTEIN (GLYCEROL KINASE) | 著者 | Ormo, M, Bystrom, C.E, Remington, S.J. | 登録日 | 1998-08-05 | 公開日 | 1999-01-19 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Crystal structure of a complex of Escherichia coli glycerol kinase and an allosteric effector fructose 1,6-bisphosphate. Biochemistry, 37, 1998
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1BTS
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![BU of 1bts by Molmil](/molmil-images/mine/1bts) | THE SOLUTION STRUCTURES OF THE FIRST AND SECOND TRANSMEMBRANE-SPANNING SEGMENTS OF BAND 3 | 分子名称: | BAND 3 ANION TRANSPORT PROTEIN | 著者 | Gargaro, A.R, Bloomberg, G.B, Dempsey, C.E, Murray, M, Tanner, M.J.A. | 登録日 | 1994-08-03 | 公開日 | 1994-11-01 | 最終更新日 | 2022-02-16 | 実験手法 | SOLUTION NMR | 主引用文献 | The solution structures of the first and second transmembrane-spanning segments of band 3. Eur.J.Biochem., 221, 1994
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2M5K
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![BU of 2m5k by Molmil](/molmil-images/mine/2m5k) | Atomic-resolution structure of a doublet cross-beta amyloid fibril | 分子名称: | Transthyretin | 著者 | Fitzpatrick, A.W.P, Debelouchina, G.T, Bayro, M.J, Clare, D.K, Caporini, M.A, Bajaj, V.S, Jaroniec, C.P, Wang, L, Ladizhansky, V, Muller, S, MacPhee, C.E, Waudby, C.A, Mott, H.R, de Simone, A, Knowles, T.P.J, Saibil, H.R, Vendruscolo, M, Orlova, E.V, Griffin, R.G, Dobson, C.M. | 登録日 | 2013-02-27 | 公開日 | 2013-12-04 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (12.7 Å), SOLID-STATE NMR | 主引用文献 | Atomic structure and hierarchical assembly of a cross-beta amyloid fibril. Proc.Natl.Acad.Sci.USA, 110, 2013
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2M5M
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![BU of 2m5m by Molmil](/molmil-images/mine/2m5m) | Atomic-resolution structure of a triplet cross-beta amyloid fibril | 分子名称: | Transthyretin | 著者 | Fitzpatrick, A.W.P, Debelouchina, G.T, Bayro, M.J, Clare, D.K, Caporini, M.A, Bajaj, V.S, Jaroniec, C.P, Wang, L, Ladizhansky, V, Muller, S, MacPhee, C.E, Waudby, C.A, Mott, H.R, de Simone, A, Knowles, T.P.J, Saibil, H.R, Vendruscolo, M, Orlova, E.V, Griffin, R.G, Dobson, C.M. | 登録日 | 2013-02-27 | 公開日 | 2013-12-04 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (12.2 Å), SOLID-STATE NMR | 主引用文献 | Atomic structure and hierarchical assembly of a cross-beta amyloid fibril. Proc.Natl.Acad.Sci.USA, 110, 2013
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7QOA
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![BU of 7qoa by Molmil](/molmil-images/mine/7qoa) | Structure of CodB, a cytosine transporter in an outward-facing conformation | 分子名称: | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-AMINOPYRIMIDIN-2(1H)-ONE, Cytosine permease, ... | 著者 | Hatton, C.E, Cameron, A.D. | 登録日 | 2021-12-23 | 公開日 | 2022-07-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of cytosine transport protein CodB provides insight into nucleobase-cation symporter 1 mechanism. Embo J., 41, 2022
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9IK1
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![BU of 9ik1 by Molmil](/molmil-images/mine/9ik1) | Cryo-EM structure of the human P2X3 receptor-compound 26a complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[2-cyclopropyl-7-[[(1~{R})-1-naphthalen-2-ylethyl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Kim, S, Kim, G.R, Kim, Y.O, Han, X, Nagel, J, Kim, J, Song, D.I, Muller, C.E, Yoon, M.H, Jin, M.S, Kim, Y.C. | 登録日 | 2024-06-26 | 公開日 | 2024-09-04 | 実験手法 | ELECTRON MICROSCOPY (2.61 Å) | 主引用文献 | Discovery of Triazolopyrimidine Derivatives as Selective P2X3 Receptor Antagonists Binding to an Unprecedented Allosteric Site as Evidenced by Cryo-Electron Microscopy. J.Med.Chem., 67, 2024
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7QT2
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![BU of 7qt2 by Molmil](/molmil-images/mine/7qt2) | Antibody FenAb208 - fentanyl complex | 分子名称: | Antibody heavy chain, Antibody light chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | 著者 | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | 登録日 | 2022-01-14 | 公開日 | 2023-05-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl. Cell Rep, 42, 2023
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7QT0
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![BU of 7qt0 by Molmil](/molmil-images/mine/7qt0) | Antibody FenAb136 - fentanyl complex | 分子名称: | 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain | 著者 | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | 登録日 | 2022-01-14 | 公開日 | 2023-05-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl. Cell Rep, 42, 2023
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7QT4
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![BU of 7qt4 by Molmil](/molmil-images/mine/7qt4) | Antibody FenAb709 - fentanyl complex | 分子名称: | 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain | 著者 | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | 登録日 | 2022-01-14 | 公開日 | 2023-05-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl. Cell Rep, 42, 2023
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7QT3
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![BU of 7qt3 by Molmil](/molmil-images/mine/7qt3) | Antibody FenAb609 - fentanyl complex | 分子名称: | Antibody heavy chain, Antibody light chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | 著者 | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | 登録日 | 2022-01-14 | 公開日 | 2023-05-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl. Cell Rep, 42, 2023
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1AF8
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![BU of 1af8 by Molmil](/molmil-images/mine/1af8) | ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN FROM STREPTOMYCES COELICOLOR A3(2), NMR, 24 STRUCTURES | 分子名称: | ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN | 著者 | Crump, M.P, Crosby, J, Dempsey, C.E, Parkinson, J.A, Murray, M, Hopwood, D.A, Simpson, T.J. | 登録日 | 1997-03-23 | 公開日 | 1997-09-26 | 最終更新日 | 2024-04-10 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the actinorhodin polyketide synthase acyl carrier protein from Streptomyces coelicolor A3(2). Biochemistry, 36, 1997
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2O8Z
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![BU of 2o8z by Molmil](/molmil-images/mine/2o8z) | Bound Structure of CRF1 Extracellular Domain Antagonist | 分子名称: | cCRF(30-41) Peptide | 著者 | Mesleh, M.F, Shirley, W.A, Heise, C.E, Ling, N, Maki, R.A, Laura, R.P. | 登録日 | 2006-12-12 | 公開日 | 2006-12-26 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structural characterization of a minimal peptide antagonist bound to the extracellular domain of the corticotropin-releasing factor1 receptor. J.Biol.Chem., 282, 2007
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2P1R
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![BU of 2p1r by Molmil](/molmil-images/mine/2p1r) | Crystal structure of Salmonella typhimurium YegS, a putative lipid kinase homologous to eukaryotic sphingosine and diacylglycerol kinases. | 分子名称: | CALCIUM ION, CHLORIDE ION, Lipid kinase yegS, ... | 著者 | Nichols, C.E, Lamb, H.K, Lockyer, M, Charles, I.G, Pyne, S, Hawkins, A.R, Stammers, D.K. | 登録日 | 2007-03-06 | 公開日 | 2007-10-23 | 最終更新日 | 2019-07-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Characterization of Salmonella typhimurium YegS, a putative lipid kinase homologous to eukaryotic sphingosine and diacylglycerol kinases Proteins: Struct.,Funct.,Genet., 68, 2007
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1BTQ
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![BU of 1btq by Molmil](/molmil-images/mine/1btq) | THE SOLUTION STRUCTURES OF THE FIRST AND SECOND TRANSMEMBRANE-SPANNING SEGMENTS OF BAND 3 | 分子名称: | BAND 3 ANION TRANSPORT PROTEIN | 著者 | Gargaro, A.R, Bloomberg, G.B, Dempsey, C.E, Murray, M, Tanner, M.J.A. | 登録日 | 1994-08-03 | 公開日 | 1994-11-30 | 最終更新日 | 2022-02-16 | 実験手法 | SOLUTION NMR | 主引用文献 | The solution structures of the first and second transmembrane-spanning segments of band 3. Eur.J.Biochem., 221, 1994
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1B79
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2NUH
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1ABW
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![BU of 1abw by Molmil](/molmil-images/mine/1abw) | DEOXY RHB1.1 (RECOMBINANT HEMOGLOBIN) | 分子名称: | HEMOGLOBIN-BASED BLOOD SUBSTITUTE, LEUCINE, METHIONINE, ... | 著者 | Kundrot, C.E, Kroeger, K.S. | 登録日 | 1997-01-29 | 公開日 | 1998-06-17 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structures of a hemoglobin-based blood substitute: insights into the function of allosteric proteins. Structure, 5, 1997
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1ABY
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![BU of 1aby by Molmil](/molmil-images/mine/1aby) | CYANOMET RHB1.1 (RECOMBINANT HEMOGLOBIN) | 分子名称: | CYANIDE ION, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Kundrot, C.E, Kroeger, K.S. | 登録日 | 1997-01-29 | 公開日 | 1998-02-25 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structures of a hemoglobin-based blood substitute: insights into the function of allosteric proteins. Structure, 5, 1997
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2OPR
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![BU of 2opr by Molmil](/molmil-images/mine/2opr) | Crystal Structure of K101E Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X. | 分子名称: | ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE, Reverse transcriptase/ribonuclease H, p51 RT | 著者 | Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Short, S.A, Chan, J.H, Kleim, J, Stammers, D.K. | 登録日 | 2007-01-30 | 公開日 | 2007-05-22 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Relationship of Potency and Resilience to Drug Resistant Mutations for GW420867X Revealed by Crystal Structures of Inhibitor Complexes for Wild-Type, Leu100Ile, Lys101Glu, and Tyr188Cys Mutant HIV-1 Reverse Transcriptases. J.Med.Chem., 50, 2007
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