6URE
 
 | | Barrier-to-autointegration factor Aqueous: 1 of 14 in MSCS set | | 分子名称: | Barrier-to-autointegration factor, ETHANOL | | 著者 | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | | 登録日 | 2019-10-23 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.653 Å) | | 主引用文献 | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
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6URK
 | | Barrier-to-autointegration factor soaked in Glycerol: 1 of 14 in MSCS set | | 分子名称: | Barrier-to-autointegration factor, ETHANOL | | 著者 | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | | 登録日 | 2019-10-23 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
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6USD
 | | Barrier-to-autointegration factor soaked in ethanol: 1 of 14 in MSCS set | | 分子名称: | Barrier-to-autointegration factor, ETHANOL | | 著者 | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | | 登録日 | 2019-10-25 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.653 Å) | | 主引用文献 | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
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6EIO
 | | Crystal structure of an ice binding protein from an Antarctic Biological Consortium | | 分子名称: | Antifreeze protein, GLYCEROL, SULFATE ION | | 著者 | Nardini, M, Mangiagalli, M, Nardone, V, Bar Dolev, M, Vena, V.F, Sarusi, G, Braslavsky, I, Lotti, M. | | 登録日 | 2017-09-19 | | 公開日 | 2018-03-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (0.84 Å) | | 主引用文献 | Structure of a bacterial ice binding protein with two faces of interaction with ice.
FEBS J., 285, 2018
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7ULL
 | | Human Grp94 N-terminal domain in complex with 42C | | 分子名称: | DIMETHYL SULFOXIDE, Endoplasmin, GLYCEROL, ... | | 著者 | Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. | | 登録日 | 2022-04-05 | | 公開日 | 2023-04-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks.
Protein Sci., 32, 2023
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7ULK
 | | Human TRAP1 NM in complex with 42C | | 分子名称: | CALCIUM ION, Heat shock protein 75 kDa, mitochondrial, ... | | 著者 | Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. | | 登録日 | 2022-04-05 | | 公開日 | 2023-04-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks.
Protein Sci., 32, 2023
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7ULJ
 | | Hsp90b N-terminal domain in complex with 42C | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Heat shock protein HSP 90-beta, ... | | 著者 | Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. | | 登録日 | 2022-04-05 | | 公開日 | 2023-04-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks.
Protein Sci., 32, 2023
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7Q21
 | | III2-IV2 respiratory supercomplex from Corynebacterium glutamicum | | 分子名称: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | | 著者 | Kovalova, T, Moe, A, Krol, S, Yanofsky, D.J, Bott, M, Sjostrand, D, Rubinstein, J.L, Hogbom, M, Brzezinski, P. | | 登録日 | 2021-10-22 | | 公開日 | 2022-02-02 | | 最終更新日 | 2022-03-16 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | The respiratory supercomplex from C. glutamicum.
Structure, 30, 2022
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7A04
 | | Structure of human CKa1 in complex with compound b | | 分子名称: | 1,2-ETHANEDIOL, 1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium, Choline kinase alpha | | 著者 | Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C. | | 登録日 | 2020-08-06 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism.
Eur.J.Med.Chem., 207, 2020
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7A06
 | | Structure of human CKa1 in complex with compound o | | 分子名称: | 1,2-ETHANEDIOL, 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine, Choline kinase alpha | | 著者 | Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C. | | 登録日 | 2020-08-06 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism.
Eur.J.Med.Chem., 207, 2020
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6NBS
 | | WT ERK2 with compound 2507-8 | | 分子名称: | (5S)-5-benzyl-4,5-dihydro-1H-imidazol-2-amine, GLYCEROL, Mitogen-activated protein kinase 1, ... | | 著者 | Sammons, R.M, Perry, N.A, Cho, E.J, Kaoud, T.S, Zamora-Olivares, D.P, Piserchio, A, Houghten, R.A, Giulianotti, M, Li, Y, Debevec, G, Gurevich, V.V, Ghose, R, Iverson, T.M, Dalby, K.N. | | 登録日 | 2018-12-10 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A Novel Class of Common Docking Domain Inhibitors That Prevent ERK2 Activation and Substrate Phosphorylation.
Acs Chem.Biol., 14, 2019
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3PCQ
 | | Femtosecond X-ray protein Nanocrystallography | | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | 著者 | Chapman, H.N, Fromme, P, Barty, A, White, T.A, Kirian, R.A, Aquila, A, Hunter, M.S, Schulz, J, Deponte, D.P, Weierstall, U, Doak, R.B, Maia, F.R.N.C, Martin, A.V, Schlichting, I, Lomb, L, Coppola, N, Shoeman, R.L, Epp, S.W, Hartmann, R, Rolles, D, Rudenko, A, Foucar, L, Kimmel, N, Weidenspointner, G, Holl, P, Liang, M, Barthelmess, M, Caleman, C, Boutet, S, Bogan, M.J, Krzywinski, J, Bostedt, C, Bajt, S, Gumprecht, L, Rudek, B, Erk, B, Schmidt, C, Homke, A, Reich, C, Pietschner, D, Struder, L, Hauser, G, Gorke, H, Ullrich, J, Herrmann, S, Schaller, G, Schopper, F, Soltau, H, Kuhnel, K.-U, Messerschmidt, M, Bozek, J.D, Hau-Riege, S.P, Frank, M, Hampton, C.Y, Sierra, R, Starodub, D, Williams, G.J, Hajdu, J, Timneanu, N, Seibert, M.M, Andreasson, J, Rocker, A, Jonsson, O, Svenda, M, Stern, S, Nass, K, Andritschke, R, Schroter, C.-D, Krasniqi, F, Bott, M, Schmidt, K.E, Wang, X, Grotjohann, I, Holton, J.M, Barends, T.R.M, Neutze, R, Marchesini, S, Fromme, R, Schorb, S, Rupp, D, Adolph, M, Gorkhover, T, Andersson, I, Hirsemann, H, Potdevin, G, Graafsma, H, Nilsson, B, Spence, J.C.H. | | 登録日 | 2010-10-21 | | 公開日 | 2011-02-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (8.984 Å) | | 主引用文献 | Femtosecond X-ray protein nanocrystallography.
Nature, 470, 2011
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5L8S
 | | The crystal structure of a cold-adapted acylaminoacyl peptidase reveals a novel quaternary architecture based on the arm-exchange mechanism | | 分子名称: | Amino acyl peptidase, SULFATE ION | | 著者 | Brocca, S, Ferrari, C, Barbiroli, A, Pesce, A, Lotti, M, Nardini, M. | | 登録日 | 2016-06-08 | | 公開日 | 2016-11-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A bacterial acyl aminoacyl peptidase couples flexibility and stability as a result of cold adaptation.
FEBS J., 283, 2016
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4TZG
 | | Crystal structure of eCGP123, an extremely thermostable green fluorescent protein | | 分子名称: | Fluorescent Protein | | 著者 | Close, D.W, Don Paul, C, Traore, D.A.K, Wilce, M.C.J, Prescott, M, Bradbury, A.R.M. | | 登録日 | 2014-07-10 | | 公開日 | 2014-10-22 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Thermal green protein, an extremely stable, nonaggregating fluorescent protein created by structure-guided surface engineering.
Proteins, 83, 2015
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5MG3
 | | EM fitted model of bacterial holo-translocon | | 分子名称: | Membrane protein insertase YidC, Protein translocase subunit SecD, Protein translocase subunit SecE, ... | | 著者 | Schaffitzel, C, Botte, M. | | 登録日 | 2016-11-20 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (14 Å) | | 主引用文献 | A central cavity within the holo-translocon suggests a mechanism for membrane protein insertion.
Sci Rep, 6, 2016
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2BAG
 | | 3D Structure of Torpedo californica acetylcholinesterase complexed with Ganstigmine | | 分子名称: | 1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,3A,8,8A-HEXAHYDROPYRROLO[2,3-B]INDOL-5-YL 2-ETHYLPHENYLCARBAMATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Lamba, D, Bartolucci, C, Siotto, M, Racchi, M, Villetti, G, Delcanale, M. | | 登録日 | 2005-10-14 | | 公開日 | 2006-08-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural Determinants of Torpedo californica Acetylcholinesterase Inhibition by the Novel and Orally Active Carbamate Based Anti-Alzheimer Drug Ganstigmine (CHF-2819)
J.Med.Chem., 49, 2006
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7S8Z
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7S9G
 | | Room-temperature Human Hsp90a-NTD bound to BIIB021 | | 分子名称: | 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION | | 著者 | Stachowski, T.R, Vanarotti, M, Fischer, M. | | 登録日 | 2021-09-21 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7S9F
 | | Cryogenic Human Hsp90a-NTD bound to BIIB021 | | 分子名称: | 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION | | 著者 | Stachowski, T.R, Vanarotti, M, Seetharaman, J, Fischer, M. | | 登録日 | 2021-09-20 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7S95
 | | Room-temperature Human Hsp90a-NTD bound to adenine | | 分子名称: | ADENINE, Heat shock protein HSP 90-alpha | | 著者 | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | | 登録日 | 2021-09-20 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7S9I
 | | Room-temperature Human Hsp90a-NTD bound to EC144 | | 分子名称: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-alpha | | 著者 | Stachowski, T.R, Vanarotti, M, Fischer, M. | | 登録日 | 2021-09-21 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7S98
 | | Cryogenic Human Hsp90a-NTD bound to N6M | | 分子名称: | Heat shock protein HSP 90-alpha, N-METHYL-9H-PURIN-6-AMINE | | 著者 | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | | 登録日 | 2021-09-20 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7S9H
 | | Cryogenic Human Hsp90a-NTD bound to EC144 | | 分子名称: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-alpha, MAGNESIUM ION | | 著者 | Stachowski, T.R, Vanarotti, M, Seetharaman, J, Fischer, M. | | 登録日 | 2021-09-21 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7S90
 | | Cryogenic Human Hsp90a-NTD bound to adenine | | 分子名称: | ADENINE, Heat shock protein HSP 90-alpha | | 著者 | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | | 登録日 | 2021-09-20 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7S8Y
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