3SRY
 
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3SVB
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3SJI
 | | crystal structure of CVA16 3C in complex with Rupintrivir (AG7088) | | Descriptor: | 3C protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, SODIUM ION | | Authors: | Lu, G, Qi, J, Chen, Z, Xu, X, Gao, F, Lin, D, Qian, W, Liu, H, Jiang, H, Yan, J, Gao, G.F. | | Deposit date: | 2011-06-21 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
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4D81
 | | Metallosphera sedula Vps4 crystal structure | | Descriptor: | AAA ATPase, central domain protein, ADENOSINE-5'-DIPHOSPHATE | | Authors: | Caillat, C, Macheboeuf, P, Wu, Y, McCarthy, A.A, Boeri-Erba, E, Effantin, G, Gottlinger, H.G, Weissenhorn, W, Renesto, P. | | Deposit date: | 2014-12-02 | | Release date: | 2015-11-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Asymmetric Ring Structure of Vps4 Required for Escrt-III Disassembly.
Nat.Commun., 6, 2015
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4MOD
 | | Structure of the MERS-CoV fusion core | | Descriptor: | HR1 of S protein, LINKER, HR2 of S protein | | Authors: | Gao, J, Lu, G, Qi, J, Li, Y, Wu, Y, Deng, Y, Geng, H, Xiao, H, Tan, W, Yan, J, Gao, G.F. | | Deposit date: | 2013-09-12 | | Release date: | 2013-10-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Structure of the fusion core and inhibition of fusion by a heptad repeat peptide derived from the S protein of Middle East respiratory syndrome coronavirus.
J.Virol., 87, 2013
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3SNS
 | | Crystal structure of the C-terminal domain of Escherichia coli lipoprotein BamC | | Descriptor: | CHLORIDE ION, Lipoprotein 34 | | Authors: | Kim, K.H, Aulakh, S, Tan, W, Paetzel, M. | | Deposit date: | 2011-06-29 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystallographic analysis of the C-terminal domain of the Escherichia coli lipoprotein BamC.
Acta Crystallogr.,Sect.F, 67, 2011
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3S4C
 | | Lactose phosphorylase in complex with sulfate | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Lactose Phosphorylase, SULFATE ION | | Authors: | Van Hoorebeke, A, Stout, J, Soetaert, W, Van Beeumen, J, Desmet, T, Savvides, S. | | Deposit date: | 2011-05-19 | | Release date: | 2012-06-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Cellobiose phosphorylase: reconstructing the structural itinerary along the catalytic pathway
To be Published
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8UKE
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3S57
 | | ABH2 cross-linked with undamaged dsDNA-1 containing cofactors | | Descriptor: | 2-OXOGLUTARIC ACID, 5'-D(*CP*TP*GP*TP*CP*AP*TP*CP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*TP*GP*AP*CP*A)-3', ... | | Authors: | Yi, C, Chen, B, Qi, B, Ramirez, B, Zhang, W, Jia, G, Zhang, L, Li, C.Q, Dinner, A.R, Yang, C.-G, He, C. | | Deposit date: | 2011-05-20 | | Release date: | 2012-06-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
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8FHC
 | | Protein 41 with aldehyde deformylating oxidase activity from Gamma proteobacterium | | Descriptor: | BROMIDE ION, CHOLIC ACID, FE (III) ION, ... | | Authors: | Arenas, R, Wilson, D.K, Mak, W.S, Siegel, J.B. | | Deposit date: | 2022-12-13 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Protein 41 with aldehyde deformylating oxidase activity from Gamma proteobacterium
To Be Published
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4DDF
 | | Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group P4 | | Descriptor: | CHLORIDE ION, Propanediol utilization polyhedral body protein PduT, SULFATE ION | | Authors: | Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. | | Deposit date: | 2012-01-18 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
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4I5M
 | | Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain | | Descriptor: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK2 | | Authors: | Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P, Neitz, R.J, Yao, N, Lin, M, Tonn, G, Zhang, H, Bova, M.P, Ren, Z, Tam, D, Ruslim, L, Baker, J, Diep, L, Fitzgerald, K, Hoffman, J, Motter, R, Fauss, D, Tanaka, P, Dappen, M, Jagodzinski, J, Chan, W, Konradi, A.W, Latimer, L, Zhu, Y.L, Artis, D.R, Sham, H.L, Anderson, J.P, Bergeron, M. | | Deposit date: | 2012-11-28 | | Release date: | 2013-12-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
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4MLP
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4DE6
 | | Horse spleen apo-ferritin complex with arachidonic acid | | Descriptor: | ARACHIDONIC ACID, CADMIUM ION, Ferritin light chain, ... | | Authors: | Bu, W, Liu, R, Dmochowski, I.J, Loll, P.J, Eckenhoff, R.G. | | Deposit date: | 2012-01-19 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Ferritin couples iron and fatty acid metabolism.
Faseb J., 26, 2012
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4DFM
 | | Crystal structure of the large fragment of DNA polymerase I from Thermus aquaticus in ternary complex with 5-(aminopentinyl)-2-dCTP | | Descriptor: | 1,2-ETHANEDIOL, 5'-d(AAAGCGCGCCGTGGTC)-3', 5'-d(GACCACGGCGC ddG)-3', ... | | Authors: | Bergen, K, Steck, A, Struett, S, Baccaro, A, Welte, W, Diederichs, K, Marx, A. | | Deposit date: | 2012-01-24 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.886 Å) | | Cite: | Structures of KlenTaq DNA Polymerase Caught While Incorporating C5-Modified Pyrimidine and C7-Modified 7-Deazapurine Nucleoside Triphosphates.
J.Am.Chem.Soc., 134, 2012
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4I6Z
 | | Crystal structure of the transcriptional regulator TM1030 with 24bp DNA oligonucleotide | | Descriptor: | DNA OLIGONUCLEOTIDE, Transcriptional regulator, TetR family | | Authors: | Koclega, K.D, Chruszcz, M, Cooper, D.R, Petkowski, J.J, Tkaczuk, K.L, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-11-30 | | Release date: | 2013-01-02 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the transcriptional regulator TM1030 with 24bp DNA oligonucleotide
To be Published
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8FHB
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4DZD
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4LVG
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | (1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | Deposit date: | 2013-07-26 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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3S94
 | | Crystal structure of LRP6-E1E2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Low-density lipoprotein receptor-related protein 6 | | Authors: | Cheng, Z, Xu, W. | | Deposit date: | 2011-05-31 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of the extracellular domain of LRP6 and its complex with DKK1.
Nat.Struct.Mol.Biol., 18, 2011
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5U5C
 | | Coiled Coil Peptide Metal Coordination Framework: Tetramer Fold | | Descriptor: | COPPER (II) ION, Designed tetrameric coiled coil peptide with one terpyridine side chain, HEXANE-1,6-DIOL | | Authors: | Tavenor, N.A, Murnin, M.J, Horne, W.S. | | Deposit date: | 2016-12-06 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Supramolecular Metal-Coordination Polymers, Nets, and Frameworks from Synthetic Coiled-Coil Peptides.
J. Am. Chem. Soc., 139, 2017
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4IAR
 | | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target) | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Ergotamine | | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
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8UEU
 | | In-situ complex I, Deactive class03 | | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ... | | Authors: | Zheng, W, Zhu, J, Zhang, K. | | Deposit date: | 2023-10-02 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 2024
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8UGE
 | | In-situ complex III, state II | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ... | | Authors: | Zheng, W, Zhang, K, Zhu, J. | | Deposit date: | 2023-10-05 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 2024
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4M1K
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