6JBJ
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![BU of 6jbj by Molmil](/molmil-images/mine/6jbj) | Cryo-EM structure of human lysosomal cobalamin exporter ABCD4 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family D member 4 | Authors: | Xu, D, Feng, Z, Hou, W.T, Jiang, Y.L, Wang, L, Sun, L.F, Zhou, C.Z, Chen, Y. | Deposit date: | 2019-01-25 | Release date: | 2019-09-11 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structure of human lysosomal cobalamin exporter ABCD4. Cell Res., 29, 2019
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7RBR
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![BU of 7rbr by Molmil](/molmil-images/mine/7rbr) | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with a Lys48-linked di-ubiquitin | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Papain-like protease, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lanham, B.T, Wydorski, P, Fushman, D, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-07-06 | Release date: | 2021-09-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin. Nat Commun, 14, 2023
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1Y2J
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![BU of 1y2j by Molmil](/molmil-images/mine/1y2j) | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With 3,5-dimethyl-1-(3-nitro-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester | Descriptor: | 3,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, MAGNESIUM ION, ZINC ION, ... | Authors: | Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | Deposit date: | 2004-11-22 | Release date: | 2005-03-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design Nat.Biotechnol., 23, 2005
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3KAE
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![BU of 3kae by Molmil](/molmil-images/mine/3kae) | Cdc27 N-terminus | Descriptor: | CHLORIDE ION, GLYCEROL, Possible protein of nuclear scaffold, ... | Authors: | Barford, D, Zhang, Z, Roe, S.M. | Deposit date: | 2009-10-19 | Release date: | 2010-03-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Molecular structure of the N-terminal domain of the APC/C subunit Cdc27 reveals a homo-dimeric tetratricopeptide repeat architecture J.Mol.Biol., 397, 2010
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6JBW
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![BU of 6jbw by Molmil](/molmil-images/mine/6jbw) | Structure of Tps1/UDP complex | Descriptor: | Trehalose-6-phosphate synthase, URIDINE-5'-DIPHOSPHATE | Authors: | Wang, S, Zhao, Y, Wang, D, Liu, J. | Deposit date: | 2019-01-26 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1. Biochem.J., 476, 2019
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5K2C
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![BU of 5k2c by Molmil](/molmil-images/mine/5k2c) | 1.9 angstrom A2a adenosine receptor structure with sulfur SAD phasing and phase extension using XFEL data | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ... | Authors: | Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | Deposit date: | 2016-05-18 | Release date: | 2016-09-21 | Last modified: | 2018-11-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Native phasing of x-ray free-electron laser data for a G protein-coupled receptor. Sci Adv, 2, 2016
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6TGB
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![BU of 6tgb by Molmil](/molmil-images/mine/6tgb) | CryoEM structure of the binary DOCK2-ELMO1 complex | Descriptor: | Dedicator of cytokinesis protein 2, Engulfment and cell motility protein 1 | Authors: | Chang, L, Yang, J, Chang, J.H, Zhang, Z, Boland, A, McLaughlin, S.H, Abu-Thuraia, A, Killoran, R.C, Smith, M.J, Cote, J.F, Barford, D. | Deposit date: | 2019-11-15 | Release date: | 2020-07-29 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (5.5 Å) | Cite: | Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state. Nat Commun, 11, 2020
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1Y2E
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![BU of 1y2e by Molmil](/molmil-images/mine/1y2e) | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 1-(4-amino-phenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester | Descriptor: | 1,2-ETHANEDIOL, 1-(4-AMINOPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, MAGNESIUM ION, ... | Authors: | Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | Deposit date: | 2004-11-22 | Release date: | 2005-03-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design Nat.Biotechnol., 23, 2005
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6JHT
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![BU of 6jht by Molmil](/molmil-images/mine/6jht) | The cryo-EM structure of HAV bound to a neutralizing antibody-F9 | Descriptor: | FAB Heavy Chain, FAB Light Chain, VP1, ... | Authors: | Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X. | Deposit date: | 2019-02-19 | Release date: | 2020-03-18 | Method: | ELECTRON MICROSCOPY (3.79 Å) | Cite: | Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors. Plos Biol., 17, 2019
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6JHE
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![BU of 6jhe by Molmil](/molmil-images/mine/6jhe) | Crystal Structure of Bacillus subtilis SigW domain 4 in complexed with -35 element DNA | Descriptor: | DNA (5'-D(*AP*AP*AP*GP*GP*TP*TP*TP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*AP*AP*AP*CP*CP*TP*TP*T)-3'), ECF RNA polymerase sigma factor SigW | Authors: | Kwon, E, Devkota, S.R, Pathak, D, Dahal, P, Kim, D.Y. | Deposit date: | 2019-02-18 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Structural analysis of the recognition of the -35 promoter element by SigW from Bacillus subtilis. Plos One, 14, 2019
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1K3S
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![BU of 1k3s by Molmil](/molmil-images/mine/1k3s) | Type III Secretion Chaperone SigE | Descriptor: | PHOSPHATE ION, SigE | Authors: | Bertero, M.G, Luo, Y, Frey, E.A, Pfuetzner, R.A, Wenk, M.R, Creagh, L, Marcus, S.L, Lim, D, Finlay, B.B, Strynadka, N.C.J. | Deposit date: | 2001-10-03 | Release date: | 2001-11-28 | Last modified: | 2016-05-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and biochemical characterization of the type III secretion chaperones CesT and SigE. Nat.Struct.Biol., 8, 2001
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1YC9
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![BU of 1yc9 by Molmil](/molmil-images/mine/1yc9) | The crystal structure of the outer membrane protein VceC from the bacterial pathogen Vibrio cholerae at 1.8 resolution | Descriptor: | MERCURY (II) ION, multidrug resistance protein, octyl beta-D-glucopyranoside | Authors: | Federici, L, Du, D, Walas, F, Matsumura, H, Fernandez-Recio, J, McKeegan, K.S, Borges-Walmsley, M.I, Luisi, B.F, Walmsley, A.R. | Deposit date: | 2004-12-22 | Release date: | 2005-03-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of the outer membrane protein VCEC from the bacterial pathogen vibrio cholerae at 1.8 A resolution J.Biol.Chem., 280, 2005
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1YHD
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![BU of 1yhd by Molmil](/molmil-images/mine/1yhd) | The solution structure of YGGX from Escherichia Coli | Descriptor: | UPF0269 protein yggX | Authors: | Osborne, M.J, Siddiqui, N, Landgraf, D, Pomposiello, P.J, Gehring, K. | Deposit date: | 2005-01-07 | Release date: | 2005-01-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structure of the oxidative stress-related protein YggX from Escherichia coli. Protein Sci., 14, 2005
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1K4U
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![BU of 1k4u by Molmil](/molmil-images/mine/1k4u) | Solution structure of the C-terminal SH3 domain of p67phox complexed with the C-terminal tail region of p47phox | Descriptor: | PHAGOCYTE NADPH OXIDASE SUBUNIT P47PHOX, PHAGOCYTE NADPH OXIDASE SUBUNIT P67PHOX | Authors: | Kami, K, Takeya, R, Sumimoto, H, Kohda, D. | Deposit date: | 2001-10-08 | Release date: | 2002-04-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Diverse recognition of non-PxxP peptide ligands by the SH3 domains from p67(phox), Grb2 and Pex13p. EMBO J., 21, 2002
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6JEF
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![BU of 6jef by Molmil](/molmil-images/mine/6jef) | Crystal structure of apo-R168C/L169C-Fr | Descriptor: | CADMIUM ION, CHLORIDE ION, Ferritin light chain, ... | Authors: | Abe, S, Ito, N, Maity, B, Lu, C, Lu, D, Ueno, T. | Deposit date: | 2019-02-05 | Release date: | 2019-12-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Coordination design of cadmium ions at the 4-fold axis channel of the apo-ferritin cage. Dalton Trans, 48, 2019
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5KAO
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![BU of 5kao by Molmil](/molmil-images/mine/5kao) | Crystal structure of wild type HIV-1 protease in complex with GRL-10413 | Descriptor: | [(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-1-(3-chloranyl-4-methoxy-phenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]carbamate, protease | Authors: | Yedidi, R.S, Delino, N.S, Das, D, Kaufman, J.D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2016-06-01 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Modified P1 Moiety Enhances In Vitro Antiviral Activity against Various Multidrug-Resistant HIV-1 Variants and In Vitro Central Nervous System Penetration Properties of a Novel Nonpeptidic Protease Inhibitor, GRL-10413. Antimicrob.Agents Chemother., 60, 2016
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1K6H
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![BU of 1k6h by Molmil](/molmil-images/mine/1k6h) | Solution Structure of Conserved AGNN Tetraloops: Insights into Rnt1p RNA processing | Descriptor: | RNA (5'-R(P*GP*GP*CP*GP*UP*GP*UP*UP*CP*AP*GP*AP*AP*GP*AP*AP*CP*GP*CP*GP*CP*C)-3') | Authors: | Lebars, I, Lamontagne, B, Yoshizawa, S, Abou Elela, S, Fourmy, D. | Deposit date: | 2001-10-16 | Release date: | 2001-12-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of conserved AGNN tetraloops: insights into Rnt1p RNA processing. EMBO J., 20, 2001
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1K6K
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![BU of 1k6k by Molmil](/molmil-images/mine/1k6k) | Crystal Structure of ClpA, an AAA+ Chaperone-like Regulator of ClpAP protease implication to the functional difference of two ATPase domains | Descriptor: | ATP-DEPENDENT CLP PROTEASE ATP-BINDING SUBUNIT CLPA | Authors: | Guo, F, Maurizi, M.R, Esser, L, Xia, D. | Deposit date: | 2001-10-16 | Release date: | 2002-09-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of ClpA, an HSP100 chaperone and regulator of ClpAP protease J.Biol.Chem., 277, 2002
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6HHJ
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![BU of 6hhj by Molmil](/molmil-images/mine/6hhj) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 24b | Descriptor: | RAC-alpha serine/threonine-protein kinase, ~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | Deposit date: | 2018-08-28 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
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6HVE
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![BU of 6hve by Molmil](/molmil-images/mine/6hve) | Kinase domain of cSrc in complex with compound 9 | Descriptor: | Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide | Authors: | Keul, M, Mueller, M.P, Rauh, D. | Deposit date: | 2018-10-10 | Release date: | 2019-10-23 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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5KCE
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![BU of 5kce by Molmil](/molmil-images/mine/5kce) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl, 2-chlorobenzyl OBHS-N derivative | Descriptor: | (1S,2R,4S)-N-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-06-06 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.847 Å) | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
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7RQ8
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![BU of 7rq8 by Molmil](/molmil-images/mine/7rq8) | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with iboxamycin, mRNA, deacylated A- and E-site tRNAs, and aminoacylated P-site tRNA at 2.50A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Mitcheltree, M.J, Pisipati, A, Syroegin, E.A, Silvestre, K.J, Klepacki, D, Mason, J.D, Terwilliger, D.W, Testolin, G, Pote, A.R, Wu, K.J.Y, Ladley, R.P, Chatman, K, Mankin, A.S, Polikanov, Y.S, Myers, A.G. | Deposit date: | 2021-08-06 | Release date: | 2021-10-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A synthetic antibiotic class overcoming bacterial multidrug resistance. Nature, 599, 2021
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7RF6
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![BU of 7rf6 by Molmil](/molmil-images/mine/7rf6) | RT XFEL structure of Photosystem II 250 microseconds after the second illumination at 2.01 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2021-07-13 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition. Nat Commun, 12, 2021
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1Y4S
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![BU of 1y4s by Molmil](/molmil-images/mine/1y4s) | Conformation rearrangement of heat shock protein 90 upon ADP binding | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperone protein htpG, MAGNESIUM ION | Authors: | Huai, Q, Wang, H, Liu, Y, Kim, H, Toft, D, Ke, H. | Deposit date: | 2004-12-01 | Release date: | 2005-04-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of the N-terminal and middle domains of E. coli Hsp90 and conformation changes upon ADP binding. Structure, 13, 2005
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7RF4
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![BU of 7rf4 by Molmil](/molmil-images/mine/7rf4) | RT XFEL structure of Photosystem II 50 microseconds after the second illumination at 2.27 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2021-07-13 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition. Nat Commun, 12, 2021
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