6WIQ
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![BU of 6wiq by Molmil](/molmil-images/mine/6wiq) | Crystal structure of the co-factor complex of NSP7 and the C-terminal domain of NSP8 from SARS CoV-2 | 分子名称: | Non-structural protein 7, Non-structural protein 8 | 著者 | Wilamowski, M, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2020-04-10 | 公開日 | 2020-04-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication. Biophys.J., 120, 2021
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4JMZ
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5XC1
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![BU of 5xc1 by Molmil](/molmil-images/mine/5xc1) | Crystal structure of the complex of an aromatic mutant (W6A) of an alkali thermostable GH10 Xylanase from Bacillus sp. NG-27 with S-1,2-Propanediol | 分子名称: | Beta-xylanase, MAGNESIUM ION, S-1,2-PROPANEDIOL, ... | 著者 | Bansia, H, Mahanta, P, Ramakumar, S. | 登録日 | 2017-03-21 | 公開日 | 2018-03-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Small Glycols Discover Cryptic Pockets on Proteins for Fragment-Based Approaches. J.Chem.Inf.Model., 2021
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6WN0
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![BU of 6wn0 by Molmil](/molmil-images/mine/6wn0) | The structure of a CoA-dependent acyl-homoserine lactone synthase, RpaI, with the adduct of SAH and p-coumaroyl CoA | 分子名称: | (2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-{[(2E)-3-(cis-4-hydroxycyclohexa-2,5-dien-1-yl)prop-2-enoyl]amino}butanoic acid, 4-coumaroyl-homoserine lactone synthase, COENZYME A | 著者 | Dong, S.-H, Nair, S.K. | 登録日 | 2020-04-22 | 公開日 | 2020-05-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure-Guided Biochemical Analysis of Quorum Signal Synthase Specificities. Acs Chem.Biol., 15, 2020
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6X4M
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![BU of 6x4m by Molmil](/molmil-images/mine/6x4m) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate (compound 3) | 分子名称: | Peptidyl-prolyl cis-trans isomerase A, tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | 登録日 | 2020-05-22 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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5ZCO
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![BU of 5zco by Molmil](/molmil-images/mine/5zco) | azide-bound cytochrome c oxidase structure determined using the crystals exposed to 2 mM azide solution for 2 days | 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 | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | 登録日 | 2018-02-19 | 公開日 | 2018-08-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity. J. Biol. Chem., 293, 2018
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6WQD
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![BU of 6wqd by Molmil](/molmil-images/mine/6wqd) | The 1.95 A Crystal Structure of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS-CoV-2 | 分子名称: | 1,2-ETHANEDIOL, Non-structural protein 7, Non-structural protein 8 | 著者 | Kim, Y, Wilamowski, M, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2020-04-28 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication. Biophys.J., 120, 2021
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6X4Q
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![BU of 6x4q by Molmil](/molmil-images/mine/6x4q) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 33) | 分子名称: | (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | 登録日 | 2020-05-22 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6X5G
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![BU of 6x5g by Molmil](/molmil-images/mine/6x5g) | Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and LRRC7 inhibitory domain | 分子名称: | BICINE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, ... | 著者 | Ozden, C, Stratton, M.M, Garman, S.C. | 登録日 | 2020-05-26 | 公開日 | 2020-12-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
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5Z86
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![BU of 5z86 by Molmil](/molmil-images/mine/5z86) | azide-bound cytochrome c oxidase structure determined using the crystals exposed to 20 mM azide solution for 3 days | 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 | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | 登録日 | 2018-01-31 | 公開日 | 2018-08-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity. J. Biol. Chem., 293, 2018
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6WHO
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![BU of 6who by Molmil](/molmil-images/mine/6who) | Histone deacetylases complex with peptide macrocycles | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | 著者 | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | 登録日 | 2020-04-08 | 公開日 | 2021-04-21 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHN
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![BU of 6whn by Molmil](/molmil-images/mine/6whn) | Histone deacetylases complex with peptide macrocycles | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | 著者 | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | 登録日 | 2020-04-08 | 公開日 | 2021-04-21 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHQ
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![BU of 6whq by Molmil](/molmil-images/mine/6whq) | Histone deacetylases complex with peptide macrocycles | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | 著者 | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | 登録日 | 2020-04-08 | 公開日 | 2021-04-21 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WSJ
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6WHZ
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![BU of 6whz by Molmil](/molmil-images/mine/6whz) | Histone deacetylases complex with peptide macrocycles | 分子名称: | Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ... | 著者 | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | 登録日 | 2020-04-08 | 公開日 | 2021-04-21 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WI3
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![BU of 6wi3 by Molmil](/molmil-images/mine/6wi3) | Histone deacetylases complex with peptide macrocycles | 分子名称: | (SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ... | 著者 | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | 登録日 | 2020-04-08 | 公開日 | 2021-04-21 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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5WLK
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6X1K
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![BU of 6x1k by Molmil](/molmil-images/mine/6x1k) | Solution NMR structure of de novo designed TMB2.3 | 分子名称: | De novo designed transmembrane beta-barrel TMB2.3 | 著者 | Liang, B, Vorobieva, A.A, Chow, C.M, Baker, D, Tamm, L.K. | 登録日 | 2020-05-19 | 公開日 | 2021-02-17 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | De novo design of transmembrane beta barrels. Science, 371, 2021
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5Z84
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![BU of 5z84 by Molmil](/molmil-images/mine/5z84) | The structure of azide-bound cytochrome c oxidase determined using the crystals exposed to 20 mM azide solution for 4 days | 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 | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | 登録日 | 2018-01-31 | 公開日 | 2018-08-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity. J. Biol. Chem., 293, 2018
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6XNR
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![BU of 6xnr by Molmil](/molmil-images/mine/6xnr) | Crystal structure of Rhagium Mordax antifreeze protein | 分子名称: | 1,2-ETHANEDIOL, Antifreeze protein | 著者 | Ye, Q, Eves, R, Campbell, R.L, Davies, P.L. | 登録日 | 2020-07-04 | 公開日 | 2020-08-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Crystal structure of an insect antifreeze protein reveals ordered waters on the ice-binding surface. Biochem.J., 477, 2020
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5Z85
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![BU of 5z85 by Molmil](/molmil-images/mine/5z85) | The structure of azide-bound cytochrome c oxidase determined using the another batch crystals exposed to 20 mM azide solution for 2 days | 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 | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | 登録日 | 2018-01-31 | 公開日 | 2018-08-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity. J. Biol. Chem., 293, 2018
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5XC0
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1EIJ
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![BU of 1eij by Molmil](/molmil-images/mine/1eij) | NMR ENSEMBLE OF METHANOBACTERIUM THERMOAUTOTROPHICUM PROTEIN 1615 | 分子名称: | HYPOTHETICAL PROTEIN MTH1615 | 著者 | Christendat, D, Booth, V, Gernstein, M, Arrowsmith, C.H, Edwards, A.M, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2000-02-25 | 公開日 | 2000-11-03 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural proteomics of an archaeon. Nat.Struct.Biol., 7, 2000
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1ELY
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![BU of 1ely by Molmil](/molmil-images/mine/1ely) | E. COLI ALKALINE PHOSPHATASE MUTANT (S102C) | 分子名称: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Stec, B, Hehir, M, Brennan, C, Nolte, M, Kantrowitz, E.R. | 登録日 | 1998-02-10 | 公開日 | 1998-05-27 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Kinetic and X-ray structural studies of three mutant E. coli alkaline phosphatases: insights into the catalytic mechanism without the nucleophile Ser102. J.Mol.Biol., 277, 1998
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1EBL
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![BU of 1ebl by Molmil](/molmil-images/mine/1ebl) | THE 1.8 A CRYSTAL STRUCTURE AND ACTIVE SITE ARCHITECTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE III (FABH) FROM ESCHERICHIA COLI | 分子名称: | BETA-KETOACYL-ACP SYNTHASE III, COENZYME A | 著者 | Davies, C, Heath, R.J, White, S.W, Rock, C.O. | 登録日 | 2000-01-24 | 公開日 | 2000-02-11 | 最終更新日 | 2018-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The 1.8 A crystal structure and active-site architecture of beta-ketoacyl-acyl carrier protein synthase III (FabH) from escherichia coli. Structure Fold.Des., 8, 2000
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