7UCR
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![BU of 7ucr by Molmil](/molmil-images/mine/7ucr) | Joint X-ray/neutron structure of the Sarcin-Ricin loop RNA | 分子名称: | SULFATE ION, Sarcin-Ricin loop RNA | 著者 | Harp, J.M, Egli, M.E, Pallan, P.S, Coates, L. | 登録日 | 2022-03-17 | 公開日 | 2022-07-20 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1 Å), X-RAY DIFFRACTION | 主引用文献 | Cryo neutron crystallography demonstrates influence of RNA 2'-OH orientation on conformation, sugar pucker and water structure. Nucleic Acids Res., 50, 2022
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8B06
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![BU of 8b06 by Molmil](/molmil-images/mine/8b06) | TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 25 sec | 分子名称: | CESIUM ION, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | 登録日 | 2022-09-07 | 公開日 | 2023-05-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography. Nat Commun, 14, 2023
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5OEW
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![BU of 5oew by Molmil](/molmil-images/mine/5oew) | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with glutamate and positive allosteric modulator BPAM538 | 分子名称: | 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, GLUTAMIC ACID, ... | 著者 | Larsen, A.P, Frydenvang, K.A, Kastrup, J.S. | 登録日 | 2017-07-10 | 公開日 | 2018-01-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 7-Phenoxy-Substituted 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides as Positive Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors with Nanomolar Potency. J. Med. Chem., 61, 2018
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6ND8
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8B03
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![BU of 8b03 by Molmil](/molmil-images/mine/8b03) | TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 0 sec | 分子名称: | CESIUM ION, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | 登録日 | 2022-09-07 | 公開日 | 2023-05-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography. Nat Commun, 14, 2023
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8E6A
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![BU of 8e6a by Molmil](/molmil-images/mine/8e6a) | Crystal structure of SARS-CoV-2 3CL protease in complex with a p-chlorophenylethanol based inhibitor | 分子名称: | (1R,2S)-2-[(N-{[(2S)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[(2R)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | 著者 | Lovell, S, Liu, L, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | 登録日 | 2022-08-22 | 公開日 | 2022-09-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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7DN7
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![BU of 7dn7 by Molmil](/molmil-images/mine/7dn7) | Crystal structure of ternary complexes of lactoperoxidase with hydrogen peroxide at 1.70 A resolution | 分子名称: | 1,2-ETHANEDIOL, 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Singh, P.K, Singh, A.K, Singh, R.P, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2020-12-09 | 公開日 | 2020-12-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure of a ternary complex of lactoperoxidase with iodide and hydrogen peroxide at 1.77 angstrom resolution. J.Inorg.Biochem., 220, 2021
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8B05
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![BU of 8b05 by Molmil](/molmil-images/mine/8b05) | TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 20 sec | 分子名称: | CESIUM ION, CHLORIDE ION, INDOLE, ... | 著者 | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | 登録日 | 2022-09-07 | 公開日 | 2023-05-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography. Nat Commun, 14, 2023
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7RYV
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8E68
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![BU of 8e68 by Molmil](/molmil-images/mine/8e68) | Crystal structure of SARS-CoV-2 3CL protease in complex with a p-fluorodimethyl oxybenzene inhibitor | 分子名称: | (1S,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, N~2~-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide, ... | 著者 | Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C. | 登録日 | 2022-08-22 | 公開日 | 2022-09-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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3J9I
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![BU of 3j9i by Molmil](/molmil-images/mine/3j9i) | Thermoplasma acidophilum 20S proteasome | 分子名称: | Proteasome subunit alpha, Proteasome subunit beta | 著者 | Li, X, Mooney, P, Zheng, S, Booth, C, Braunfeld, M.B, Gubbens, S, Agard, D.A, Cheng, Y. | 登録日 | 2015-02-02 | 公開日 | 2015-02-18 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Electron counting and beam-induced motion correction enable near-atomic-resolution single-particle cryo-EM. Nat.Methods, 10, 2013
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7UGN
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7UGO
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7DE5
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![BU of 7de5 by Molmil](/molmil-images/mine/7de5) | Crystal structure of yak lactoperoxidase at 1.55 A resolution. | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Singh, P.K, Viswanathan, V, Sharma, P, Rani, C, Ahmad, N, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2020-11-02 | 公開日 | 2020-11-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structure of Yak Lactoperoxidase at 1.55 angstrom Resolution. Protein J., 40, 2021
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6THA
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![BU of 6tha by Molmil](/molmil-images/mine/6tha) | Crystal structure of human sugar transporter GLUT1 (SLC2A1) in the inward conformation | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Solute carrier family 2, ... | 著者 | Pedersen, B.P, Paulsen, P.A, Custodio, T.F. | 登録日 | 2019-11-19 | 公開日 | 2020-11-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural comparison of GLUT1 to GLUT3 reveal transport regulation mechanism in sugar porter family. Life Sci Alliance, 4, 2021
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6FPC
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![BU of 6fpc by Molmil](/molmil-images/mine/6fpc) | Structure of the PRO-PRO endopeptidase (PPEP-2) from Paenibacillus alvei | 分子名称: | CADMIUM ION, PRO-PRO endopeptidase, SULFATE ION, ... | 著者 | Weeks, S.D, Klychnikov, O.I, Hensbergen, P.J, Strelkov, S.V. | 登録日 | 2018-02-09 | 公開日 | 2018-05-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery of a new Pro-Pro endopeptidase, PPEP-2, provides mechanistic insights into the differences in substrate specificity within the PPEP family. J. Biol. Chem., 293, 2018
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6YU5
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![BU of 6yu5 by Molmil](/molmil-images/mine/6yu5) | Crystal structure of MhsT in complex with L-valine | 分子名称: | DODECYL-BETA-D-MALTOSIDE, SODIUM ION, Sodium-dependent transporter, ... | 著者 | Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P. | 登録日 | 2020-04-25 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition. Embo J., 40, 2021
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6TJW
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![BU of 6tjw by Molmil](/molmil-images/mine/6tjw) | Crystal structure of the haemagglutinin mutant (Gln226Leu, Del228) from an H10N7 seal influenza virus isolated in Germany | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | 登録日 | 2019-11-27 | 公開日 | 2020-10-21 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals. Cell Host Microbe, 28, 2020
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8E0Z
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7JOM
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8ECY
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![BU of 8ecy by Molmil](/molmil-images/mine/8ecy) | cryoEM structure of bovine bestrophin-2 and glutamine synthetase complex | 分子名称: | Bestrophin, CALCIUM ION, CHLORIDE ION, ... | 著者 | Owji, A.P, Kittredge, A.K, Yang, T. | 登録日 | 2022-09-02 | 公開日 | 2022-11-02 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (2 Å) | 主引用文献 | Bestrophin-2 and glutamine synthetase form a complex for glutamate release. Nature, 611, 2022
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6Z53
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![BU of 6z53 by Molmil](/molmil-images/mine/6z53) | Crystal structure of CLK3 in complex with macrocycle ODS2003128 | 分子名称: | 1,2-ETHANEDIOL, 6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Dual specificity protein kinase CLK3, ... | 著者 | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-05-26 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structure of CLK3 in complex with macrocycle ODS2003128 To Be Published
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6NDH
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7DLQ
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![BU of 7dlq by Molmil](/molmil-images/mine/7dlq) | CRYSTAL STRUCTURE OF THE COMPLEX OF LACTOPEROXIDASE WITH HYDROGEN PEROXIDE AT 1.77A RESOLUTION | 分子名称: | 1,2-ETHANEDIOL, 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Singh, P.K, Sharma, P, Bhushan, A, Sharma, S, Singh, T.P. | 登録日 | 2020-11-29 | 公開日 | 2020-12-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.773 Å) | 主引用文献 | Structure of a ternary complex of lactoperoxidase with iodide and hydrogen peroxide at 1.77 angstrom resolution. J.Inorg.Biochem., 220, 2021
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1AIO
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![BU of 1aio by Molmil](/molmil-images/mine/1aio) | CRYSTAL STRUCTURE OF A DOUBLE-STRANDED DNA CONTAINING THE MAJOR ADDUCT OF THE ANTICANCER DRUG CISPLATIN | 分子名称: | Cisplatin, DNA (5'-D(*CP*CP*(BRU)P*CP*TP*[PT(NH3)2(GP*GP)]*TP*CP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*GP*AP*CP*CP*AP*GP*AP*GP*G)-3') | 著者 | Takahara, P.M, Rosenzweig, A.C, Frederick, C.A, Lippard, S.J. | 登録日 | 1997-04-23 | 公開日 | 1997-04-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of double-stranded DNA containing the major adduct of the anticancer drug cisplatin. Nature, 377, 1995
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