7B83
 
 | | Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc | | 分子名称: | 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ... | | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-12-12 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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7AKW
 | | Crystal structure of the viral rhodopsins chimera O1O2 | | 分子名称: | EICOSANE, RETINAL, chimera of viral rhodopsins OLPVR1 and OLPVRII | | 著者 | Kovalev, K, Zabelskii, D, Alekseev, A, Astashkin, R, Gordeliy, V. | | 登録日 | 2020-10-02 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Viral rhodopsins 1 are an unique family of light-gated cation channels.
Nat Commun, 11, 2020
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7AKY
 | | Crystal structure of the viral rhodopsin OLPVR1 in P21212 space group | | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, EICOSANE, viral rhodopsin OLPVR1 | | 著者 | Kovalev, K, Zabelskii, D, Alekseev, A, Astashkin, R, Gordeliy, V. | | 登録日 | 2020-10-02 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Viral rhodopsins 1 are an unique family of light-gated cation channels.
Nat Commun, 11, 2020
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7AKX
 | | Crystal structure of the viral rhodopsin OLPVR1 in P1 space group | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ... | | 著者 | Kovalev, K, Zabelskii, D, Alekseev, A, Astashkin, R, Gordeliy, V. | | 登録日 | 2020-10-02 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Viral rhodopsins 1 are an unique family of light-gated cation channels.
Nat Commun, 11, 2020
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4WV3
 | | Crystal structure of the anthranilate CoA ligase AuaEII in complex with anthranoyl-AMP | | 分子名称: | 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, Anthranilate-CoA ligase | | 著者 | Tsai, S.C, Muller, R, Jackson, D.R, Tu, S.S, Nguyen, M, Barajas, J.F, Pistorious, D, Krug, D. | | 登録日 | 2014-11-04 | | 公開日 | 2015-11-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.599 Å) | | 主引用文献 | Structural Insights into Anthranilate Priming during Type II Polyketide Biosynthesis.
Acs Chem.Biol., 11, 2016
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1A3R
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6GTH
 | | Serial Femtosecond Crystallography at Megahertz pulse rates | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | 著者 | Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H. | | 登録日 | 2018-06-18 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Megahertz serial crystallography.
Nat Commun, 9, 2018
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7A2B
 | | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q207D | | 分子名称: | MAGNESIUM ION, R-specific alcohol dehydrogenase | | 著者 | Bischoff, D, Hermann, J, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | | 登録日 | 2020-08-17 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.399 Å) | | 主引用文献 | Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
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7PB9
 | | Crystal structure of tandem WH domains of Vps25 from Odinarchaeota | | 分子名称: | Tandem WH domains of Vps25 | | 著者 | Salzer, R, Bellini, D, Papatziamou, D, Robinson, N.P, Lowe, J. | | 登録日 | 2021-08-01 | | 公開日 | 2022-06-08 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Asgard archaea shed light on the evolutionary origins of the eukaryotic ubiquitin-ESCRT machinery.
Nat Commun, 13, 2022
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7P7Y
 | | X-ray structure of Lactobacillus kefir alcohol dehydrogenase mutant Q126K | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Bischoff, D, Walla, B, Janowski, R, Niessing, D, Weuster-Botz, D. | | 登録日 | 2021-07-21 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Transfer of a Rational Crystal Contact Engineering Strategy between Diverse Alcohol Dehydrogenases
Crystals, 11, 2021
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7P36
 | | X-ray structure of Lactobacillus kefir alcohol dehydrogenase (wild type) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Bischoff, D, Walla, B, Janowski, R, Niessing, D, Weuster-Botz, D. | | 登録日 | 2021-07-07 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Transfer of a Rational Crystal Contact Engineering Strategy between Diverse Alcohol Dehydrogenases
Crystals, 11, 2021
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2YLY
 | | Sulfonamides as selective Estrogen Receptor beta Agonists. | | 分子名称: | ESTROGEN RECEPTOR BETA, N-cyclopropyl-4-oxidanyl-N-[(2R)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide, SULFATE ION | | 著者 | Roberts, L.R, Armour, D, Barker, C, Bazin, R, Bess, K, Brown, A, Favor, D, Ellis, D, MacKenny, M, Pullen, N, Stennett, A, Strand, L, Styles, M, Phillips, C. | | 登録日 | 2011-06-06 | | 公開日 | 2012-06-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Sulfonamides as Selective Oestrogen Receptor Beta Agonists.
Bioorg.Med.Chem.Lett., 21, 2011
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8B7B
 | | Tubulin - maytansinoid - 6 complex | | 分子名称: | (~{Z})-11-[[(1~{R},2~{R},3~{S},5~{S},6~{S},16~{E},18~{E},20~{R},21~{S})-11-chloranyl-12,20-dimethoxy-2,5,9,16-tetramethyl-21-oxidanyl-8,23-bis(oxidanylidene)-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy]-11-oxidanylidene-undec-2-enoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Boiarska, Z, Perez-Pena, H, Abel, A.-C, Marzullo, P, Alvarez-Bernad, B, Bonato, F, Santini, B, Horvath, D, Lucena-Agell, D, Vasile, F, Sironi, M, Diaz, J.F, Steinmetz, M.O, Prota, A.E, Pieraccini, S, Passarella, D. | | 登録日 | 2022-09-29 | | 公開日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics.
Chemistry, 29, 2023
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8B7A
 | | Tubulin - maytansinoid - 4 complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Boiarska, Z, Perez-Pena, H, Abel, A.-C, Marzullo, P, Alvarez-Bernad, B, Bonato, F, Santini, B, Horvath, D, Lucena-Agell, D, Vasile, F, Sironi, M, Diaz, F.J, Steinmetz, M.O, Prota, A.E, Piaraccini, S, Passarella, D. | | 登録日 | 2022-09-29 | | 公開日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics.
Chemistry, 29, 2023
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8B7C
 | | Tubulin-maytansinoid-12 complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Boiarska, Z, Perez-Pena, H, Abel, A.-C, Marzullo, P, Alvarez-Bernad, B, Bonato, F, Santini, B, Horvath, D, Lucena-Agell, D, Vasile, F, Sironi, M, Diaz, J.F, Steinmetz, M.O, Prota, A.E, Pieraccini, S, Passarella, D. | | 登録日 | 2022-09-29 | | 公開日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics.
Chemistry, 29, 2023
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8GEL
 | | Cryo-EM structure of synthetic tetrameric building block sC4 | | 分子名称: | sC4 | | 著者 | Redler, R.L, Huddy, T.F, Hsia, Y, Baker, D, Ekiert, D, Bhabha, G. | | 登録日 | 2023-03-07 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-04-10 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024
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5FI8
 | | Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bounded with DSM422 (Tetrahydro-2-naphthyl and 2-indanyl triazolopyrimidine) | | 分子名称: | 2-[1,1-bis(fluoranyl)ethyl]-~{N}-[(2~{S})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | 著者 | Deng, X, Kokkonda, S, Tomchick, D, Phillips, M. | | 登録日 | 2015-12-22 | | 公開日 | 2016-05-18 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Tetrahydro-2-naphthyl and 2-Indanyl Triazolopyrimidines Targeting Plasmodium falciparum Dihydroorotate Dehydrogenase Display Potent and Selective Antimalarial Activity.
J.Med.Chem., 59, 2016
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8XI3
 | | Structure of mouse SCMC-14-3-3gama complex | | 分子名称: | 14-3-3 protein gamma, NACHT, LRR and PYD domains-containing protein 5, ... | | 著者 | Chi, P, Han, Z, Jiao, H, Li, J, Wang, X, Hu, H, Deng, D. | | 登録日 | 2023-12-19 | | 公開日 | 2024-10-02 | | 最終更新日 | 2025-06-18 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | The subcortical maternal complex modulates the cell cycle during early mammalian embryogenesis via 14-3-3.
Nat Commun, 15, 2024
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8ONW
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8OFB
 | | Crystal Structure of T. maritima reverse gyrase with a minimal latch, hexagonal form | | 分子名称: | CHLORIDE ION, HEXAETHYLENE GLYCOL, Reverse gyrase, ... | | 著者 | Klostermeier, D, Rasche, R, Mhaindarkar, V, Kummel, D, Rudolph, M.G. | | 登録日 | 2023-03-15 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Structure of reverse gyrase with a minimal latch that supports ATP-dependent positive supercoiling without specific interactions with the topoisomerase domain.
Acta Crystallogr D Struct Biol, 79, 2023
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1FOD
 | | STRUCTURE OF A MAJOR IMMUNOGENIC SITE ON FOOT-AND-MOUTH DISEASE VIRUS | | 分子名称: | FOOT AND MOUTH DISEASE VIRUS | | 著者 | Logan, D.T, Lea, S, Lewis, R, Stuart, D, Fry, E. | | 登録日 | 1993-10-27 | | 公開日 | 1994-01-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure of a major immunogenic site on foot-and-mouth disease virus.
Nature, 362, 1993
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1BAK
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5BNJ
 | | CDK8/CYCC IN COMPLEX WITH 8-{3-Chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)-phenyl]-pyridin- 4-yl}-2,8-diaza-spiro[4.5]decan-1-one | | 分子名称: | 8-{3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, Cyclin-dependent kinase 8, ... | | 著者 | Musil, D, Blagg, J, Wienke, D. | | 登録日 | 2015-05-26 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease.
Nat.Chem.Biol., 11, 2015
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1BYZ
 | | DESIGNED PEPTIDE ALPHA-1, P1 FORM | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | | 著者 | Prive, G.G, Anderson, D.H, Wesson, L, Cascio, D, Eisenberg, D. | | 登録日 | 1998-10-20 | | 公開日 | 1998-10-28 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (0.9 Å) | | 主引用文献 | Packed protein bilayers in the 0.90 A resolution structure of a designed alpha helical bundle.
Protein Sci., 8, 1999
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8WQO
 | | Crystal structure of BRD4-BD1 bound with DI106 | | 分子名称: | (3~{R})-6-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one, Isoform C of Bromodomain-containing protein 4 | | 著者 | Cao, D, Xiong, B. | | 登録日 | 2023-10-12 | | 公開日 | 2024-07-24 | | 最終更新日 | 2025-02-19 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Structure-Based Rational Design and Evaluation of BET-Aurora Kinase Dual-Inhibitors for Treatment of Cancers.
J.Med.Chem., 68, 2025
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