3FRS
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![BU of 3frs by Molmil](/molmil-images/mine/3frs) | Structure of human IST1(NTD) (residues 1-189)(p43212) | Descriptor: | GLYCEROL, Uncharacterized protein KIAA0174 | Authors: | Schubert, H.L, Hill, C.P, Bajorek, M, Sundquist, W.I. | Deposit date: | 2009-01-08 | Release date: | 2009-06-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural basis for ESCRT-III protein autoinhibition. Nat.Struct.Mol.Biol., 16, 2009
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6CUP
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![BU of 6cup by Molmil](/molmil-images/mine/6cup) | Ras:SOS:Ras in complex with a small molecule activator | Descriptor: | FORMIC ACID, GLYCEROL, GTPase HRas, ... | Authors: | Phan, J, Abbott, J, Fesik, S.W. | Deposit date: | 2018-03-26 | Release date: | 2019-02-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.833 Å) | Cite: | Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS. ACS Med Chem Lett, 9, 2018
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8IFR
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![BU of 8ifr by Molmil](/molmil-images/mine/8ifr) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3 | Descriptor: | (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-5-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2023-02-19 | Release date: | 2023-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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8IGX
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![BU of 8igx by Molmil](/molmil-images/mine/8igx) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 9 (simnotrelvir, SIM0417, SSD8432) | Descriptor: | (8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2023-02-21 | Release date: | 2023-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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5VVT
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![BU of 5vvt by Molmil](/molmil-images/mine/5vvt) | Structural Investigations of the Substrate Specificity of Human O-GlcNAcase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ELK1 peptide, Protein O-GlcNAcase | Authors: | Li, B, Jiang, J, Li, H, Hu, C.-W. | Deposit date: | 2017-05-20 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into the substrate binding adaptability and specificity of human O-GlcNAcase. Nat Commun, 8, 2017
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8IGY
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![BU of 8igy by Molmil](/molmil-images/mine/8igy) | SARS-CoV-2 3CL protease (3CLpro) in complex with nirmatrelvir | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2023-02-21 | Release date: | 2023-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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5C3S
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![BU of 5c3s by Molmil](/molmil-images/mine/5c3s) | Crystal structure of the full-length Neurospora crassa T7H in complex with alpha-KG and 5-formyluracil (5fU) | Descriptor: | 1,2-ETHANEDIOL, 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde, 2-OXOGLUTARIC ACID, ... | Authors: | Li, W, Zhang, T, Ding, J. | Deposit date: | 2015-06-17 | Release date: | 2015-10-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular basis for the substrate specificity and catalytic mechanism of thymine-7-hydroxylase in fungi Nucleic Acids Res., 43, 2015
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3JC8
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![BU of 3jc8 by Molmil](/molmil-images/mine/3jc8) | Architectural model of the type IVa pilus machine in a piliated state | Descriptor: | LysM domain protein, PilA, PilN, ... | Authors: | Chang, Y.-W, Rettberg, L.A, Jensen, G.J. | Deposit date: | 2015-11-24 | Release date: | 2016-03-16 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY | Cite: | Architecture of the type IVa pilus machine. Science, 351, 2016
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5W53
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![BU of 5w53 by Molmil](/molmil-images/mine/5w53) | |
3G2G
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![BU of 3g2g by Molmil](/molmil-images/mine/3g2g) | S437Y Mutant of human muscle pyruvate kinase, isoform M2 | Descriptor: | Pyruvate kinase isozymes M1/M2, SULFATE ION, UNKNOWN ATOM OR ION | Authors: | Hong, B, Dimov, S, Allali-Hassani, A, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, c, Weigelt, J, Bochkarev, A, Vedadi, M, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-01-31 | Release date: | 2009-03-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | S437Y Mutant of human muscle pyruvate kinase, isoform M2 To be Published
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1ZN0
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![BU of 1zn0 by Molmil](/molmil-images/mine/1zn0) | Coordinates of RRF and EF-G fitted into Cryo-EM map of the 50S subunit bound with both EF-G (GDPNP) and RRF | Descriptor: | 16S RIBOSOMAL RNA, ELONGATION FACTOR G, Ribosome recycling factor | Authors: | Gao, N, Zavialov, A.V, Li, W, Sengupta, J, Valle, M, Gursky, R.P, Ehrenberg, M, Frank, J. | Deposit date: | 2005-05-11 | Release date: | 2005-06-14 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (15.5 Å) | Cite: | Mechanism for the disassembly of the posttermination complex inferred from cryo-EM studies. Mol.Cell, 18, 2005
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4NN9
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![BU of 4nn9 by Molmil](/molmil-images/mine/4nn9) | REFINED ATOMIC STRUCTURES OF N9 SUBTYPE INFLUENZA VIRUS NEURAMINIDASE AND ESCAPE MUTANTS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE N9, ... | Authors: | Tulip, W.R, Varghese, J.N, Baker, A.T, Vandonkelaar, A, Laver, W.G, Webster, R.G, Colman, P.M. | Deposit date: | 1991-03-28 | Release date: | 1992-07-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Refined atomic structures of N9 subtype influenza virus neuraminidase and escape mutants. J.Mol.Biol., 221, 1991
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3K1E
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![BU of 3k1e by Molmil](/molmil-images/mine/3k1e) | Crystal structure of odorant binding protein 1 (AaegOBP1) from Aedes aegypti | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Leite, N.R, Krogh, R, Leal, W.S, Iulek, J, Oliva, G. | Deposit date: | 2009-09-27 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of an odorant-binding protein from the mosquito Aedes aegypti suggests a binding pocket covered by a pH-sensitive "Lid". Plos One, 4, 2009
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1YY6
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![BU of 1yy6 by Molmil](/molmil-images/mine/1yy6) | The Crystal Structure of the N-terminal domain of HAUSP/USP7 complexed with an EBNA1 peptide | Descriptor: | Epstein-Barr nuclear antigen-1, SODIUM ION, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Saridakis, V, Sheng, Y, Sarkari, F, Holowaty, M, Shire, K, Nguyen, T, Zhang, R, Liao, J, Lee, W, Edwards, A.M, Arrowsmith, C.H, Frappier, L. | Deposit date: | 2005-02-23 | Release date: | 2005-04-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the p53 binding domain of HAUSP/USP7 bound to Epstein-Barr nuclear antigen 1 implications for EBV-mediated immortalization. Mol.Cell, 18, 2005
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8OF7
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![BU of 8of7 by Molmil](/molmil-images/mine/8of7) | Cyc15 Diels Alderase | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Back, C.R, Barringer, R.W.L, Zorn, K, Manzo-Ruiz, M, Race, P.R. | Deposit date: | 2023-03-14 | Release date: | 2023-06-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Interrogation of an Enzyme Library Reveals the Catalytic Plasticity of Naturally Evolved [4+2] Cyclases. Chembiochem, 24, 2023
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6X4D
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![BU of 6x4d by Molmil](/molmil-images/mine/6x4d) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(cyclopropylmethyl)-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile (JLJ678), a Non-nucleoside Inhibitor | Descriptor: | 5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | Authors: | Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-05-22 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site. Protein Sci., 29, 2020
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5AAC
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![BU of 5aac by Molmil](/molmil-images/mine/5aac) | Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2015-07-23 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F. N.Engl.J.Med., 374, 2016
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4CXW
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![BU of 4cxw by Molmil](/molmil-images/mine/4cxw) | Crystal structure of human FTO in complex with subfamily-selective inhibitor 12 | Descriptor: | (2E)-4-[N'-(4-benzyl-pyridine-3-carbonyl)-hydrazino]-4-oxo-but-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION | Authors: | Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G. | Deposit date: | 2014-04-09 | Release date: | 2014-10-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO. Chem Sci, 6, 2015
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3DAQ
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![BU of 3daq by Molmil](/molmil-images/mine/3daq) | Crystal structure of dihydrodipicolinate synthase from methicillin-resistant Staphylococcus aureus | Descriptor: | CHLORIDE ION, Dihydrodipicolinate synthase, GLYCEROL | Authors: | Dobson, R.C.J, Burgess, B.R, Jameson, G.B, Gerrard, J.A, Parker, M.W, Perugini, M.A. | Deposit date: | 2008-05-29 | Release date: | 2008-08-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure and evolution of a novel dimeric enzyme from a clinically-important bacterial pathogen. J.Biol.Chem., 2008
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3DX9
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![BU of 3dx9 by Molmil](/molmil-images/mine/3dx9) | Crystal Structure of the DM1 TCR at 2.75A | Descriptor: | DM1 T cell receptor alpha chain, DM1 T cell receptor beta chain | Authors: | Archbold, J.K, Macdonald, W.A, Gras, S, Rossjohn, J. | Deposit date: | 2008-07-24 | Release date: | 2009-01-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Natural micropolymorphism in human leukocyte antigens provides a basis for genetic control of antigen recognition. J.Exp.Med., 206, 2009
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5WP6
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![BU of 5wp6 by Molmil](/molmil-images/mine/5wp6) | Cryo-EM structure of a human TRPM4 channel in complex with calcium and decavanadate | Descriptor: | DECAVANADATE, Transient receptor potential cation channel subfamily M member 4 | Authors: | Winkler, P.A, Huang, Y, Sun, W, Du, J, Lu, W. | Deposit date: | 2017-08-03 | Release date: | 2017-12-13 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Electron cryo-microscopy structure of a human TRPM4 channel. Nature, 552, 2017
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5CU1
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![BU of 5cu1 by Molmil](/molmil-images/mine/5cu1) | |
1YCE
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![BU of 1yce by Molmil](/molmil-images/mine/1yce) | Structure of the rotor ring of F-type Na+-ATPase from Ilyobacter tartaricus | Descriptor: | NONAN-1-OL, SODIUM ION, subunit c | Authors: | Meier, T, Polzer, P, Diederichs, K, Welte, W, Dimroth, P. | Deposit date: | 2004-12-22 | Release date: | 2005-04-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the rotor ring of F-Type Na+-ATPase from Ilyobacter tartaricus. Science, 308, 2005
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8W4P
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![BU of 8w4p by Molmil](/molmil-images/mine/8w4p) | Structure of PSII-FCPII-I/J/K complex in the PSII-FCPII supercomplex from Cyclotella meneghiniana | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, CHLOROPHYLL A, ... | Authors: | Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D. | Deposit date: | 2023-08-24 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana. Nat Commun, 14, 2023
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2E6C
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![BU of 2e6c by Molmil](/molmil-images/mine/2e6c) | |