4D5V
 
 | | Hypocrea jecorina cellobiohydrolase Cel7A E217Q soaked with xylotetraose. | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ... | | 著者 | Momeni, M.H, Stahlberg, J, Hansson, H. | | 登録日 | 2014-11-07 | | 公開日 | 2015-03-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
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5UY8
 | | Crystal structure of AICARFT bound to an antifolate | | 分子名称: | 5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, ... | | 著者 | Wang, J, Wang, Y, Fales, K.R, Atwell, S, Clawson, D. | | 登録日 | 2017-02-23 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
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6FS2
 | | MCL1 in complex with indole acid ligand | | 分子名称: | 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Hargreaves, D. | | 登録日 | 2018-02-18 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
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7JV1
 | | Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor APS-9-95-1 | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, MAGNESIUM ION, ... | | 著者 | Khan, Z.M, Dar, A.C, Scopton, A.P. | | 登録日 | 2020-08-20 | | 公開日 | 2020-09-30 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.62 Å) | | 主引用文献 | Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
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7YG5
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8RGP
 | | Closed Complex I from murine brain | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Vercellino, I, Sazanov, L.A. | | 登録日 | 2023-12-14 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-07-31 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 31, 2024
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6ZKH
 | | Complex I with NADH, open1 | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | 著者 | Kampjut, D, Sazanov, L.A. | | 登録日 | 2020-06-30 | | 公開日 | 2020-10-07 | | 最終更新日 | 2020-11-11 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
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6ZKV
 | | Deactive complex I, open4 | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE MONOPHOSPHATE, ... | | 著者 | Kampjut, D, Sazanov, L.A. | | 登録日 | 2020-06-30 | | 公開日 | 2020-10-07 | | 最終更新日 | 2020-11-11 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
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8QLE
 | | Crystal structure of the light-driven sodium pump ErNaR in the monomeric form at pH 4.6 | | 分子名称: | Bacteriorhodopsin-like protein, EICOSANE, OLEIC ACID | | 著者 | Kovalev, K, Podoliak, E, Lamm, G.H.U, Astashkin, R, Bourenkov, G. | | 登録日 | 2023-09-19 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A subgroup of light-driven sodium pumps with an additional Schiff base counterion.
Nat Commun, 15, 2024
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8RHI
 | | Lytic Transglycosylase MltD of Pseudomonas aeruginosa in a ternary complex bound to Bulgecin A and chito-tetraose | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, ... | | 著者 | Miguel-Ruano, V, Hermoso, J.A. | | 登録日 | 2023-12-15 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structural characterization of lytic transglycosylase MltD of Pseudomonas aeruginosa, a target for the natural product bulgecin A.
Int.J.Biol.Macromol., 267, 2024
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5EGM
 | | Development of a novel tricyclic class of potent and selective FIXa inhibitors | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ... | | 著者 | Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B. | | 登録日 | 2015-10-27 | | 公開日 | 2015-11-18 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.841 Å) | | 主引用文献 | Development of a novel tricyclic class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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7JM6
 | | Structure of chicken CLC-7 | | 分子名称: | (2R)-3-{[(R)-hydroxy{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dinonanoate, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | 著者 | Schrecker, M, Hite, R. | | 登録日 | 2020-07-31 | | 公開日 | 2020-09-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (2.92 Å) | | 主引用文献 | Cryo-EM structure of the lysosomal chloride-proton exchanger CLC-7 in complex with OSTM1.
Elife, 9, 2020
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5EH7
 | | human carbonic anhydrase II in complex with ligand | | 分子名称: | 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole, Carbonic anhydrase 2, FORMIC ACID, ... | | 著者 | Ren, B. | | 登録日 | 2015-10-28 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.425 Å) | | 主引用文献 | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
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6ZKI
 | | Complex I with NADH, open2 | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | 著者 | Kampjut, D, Sazanov, L.A. | | 登録日 | 2020-06-30 | | 公開日 | 2020-10-07 | | 最終更新日 | 2020-11-11 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
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6FW2
 | | Crystal Structure of human mARC1 | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MOLYBDATE ION, Mitochondrial amidoxime-reducing component 1,Endolysin,Mitochondrial amidoxime-reducing component 1, ... | | 著者 | Kubitza, C, Scheidig, A. | | 登録日 | 2018-03-05 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Crystal structure of human mARC1 reveals its exceptional position among eukaryotic molybdenum enzymes.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6ZKE
 | | Complex I during turnover, open2 | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | 著者 | Kampjut, D, Sazanov, L.A. | | 登録日 | 2020-06-30 | | 公開日 | 2020-10-07 | | 最終更新日 | 2020-11-11 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
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6ZKS
 | | Deactive complex I, open1 | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE MONOPHOSPHATE, ... | | 著者 | Kampjut, D, Sazanov, L.A. | | 登録日 | 2020-06-30 | | 公開日 | 2020-10-07 | | 最終更新日 | 2020-11-11 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
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6ZKG
 | | Complex I with NADH, closed | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | 著者 | Kampjut, D, Sazanov, L.A. | | 登録日 | 2020-06-30 | | 公開日 | 2020-10-07 | | 最終更新日 | 2020-11-11 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
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6N9Q
 | | Structure of the Quorum Quenching lactonase from Parageobacillus caldoxylosilyticus bind to substrate C4-AHL | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, COBALT (II) ION, ... | | 著者 | Bergonzi, C, Schwab, M, Elias, M. | | 登録日 | 2018-12-03 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | The Structural Determinants Accounting for the Broad Substrate Specificity of the Quorum Quenching Lactonase GcL.
Chembiochem, 20, 2019
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5EHN
 | | mAChE-syn TZ2PA5 complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine, Acetylcholinesterase, ... | | 著者 | Bourne, Y, Marchot, P. | | 登録日 | 2015-10-28 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase.
J.Am.Chem.Soc., 138, 2016
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7ADW
 | | Structure of SARS-CoV-2 Main Protease bound to 2,4'-Dimethylpropiophenone. | | 分子名称: | 2-methyl-1-(4-methylphenyl)propan-1-one, 3C-like proteinase, 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 | 2020-09-16 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.63 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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6N48
 | | Structure of beta2 adrenergic receptor bound to BI167107, Nanobody 6B9, and a positive allosteric modulator | | 分子名称: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Camelid Antibody Fragment, ... | | 著者 | Liu, X, Masoudi, A, Kahsai, A.W, Huang, L.Y, Pani, B, Hirata, K, Ahn, S, Lefkowitz, R.J, Kobilka, B.K. | | 登録日 | 2018-11-17 | | 公開日 | 2019-06-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Mechanism of beta2AR regulation by an intracellular positive allosteric modulator.
Science, 364, 2019
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6UE9
 | | Structure of tetrameric sIgA complex (Class 2) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin J chain, ... | | 著者 | Kumar, N, Arthur, C.P, Ciferri, C, Matsumoto, M.L. | | 登録日 | 2019-09-20 | | 公開日 | 2020-02-19 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structure of the secretory immunoglobulin A core.
Science, 367, 2020
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7AWW
 | | Structure of SARS-CoV-2 Main Protease bound to Clonidine | | 分子名称: | 2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE, 3C-like proteinase, DIMETHYL SULFOXIDE | | 著者 | Guenther, S, Reinke, P.Y.A, 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, Lane, T.J, Dunkel, I, 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 | 2020-11-09 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.65 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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6UE8
 | | Structure of tetrameric sIgA complex (Class 1) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin J chain, ... | | 著者 | Kumar, N, Arthur, C.P, Ciferri, C, Matsumoto, M.L. | | 登録日 | 2019-09-20 | | 公開日 | 2020-02-19 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structure of the secretory immunoglobulin A core.
Science, 367, 2020
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