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 | Descriptor: | (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, ... | Authors: | Lovell, S, Liu, L, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2022-08-22 | Release date: | 2022-09-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 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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6QX8
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![BU of 6qx8 by Molmil](/molmil-images/mine/6qx8) | Influenza A virus (A/NT/60/1968) polymerase dimer of heterotrimer in complex with 5' cRNA promoter | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(P*AP*GP*CP*AP*AP*AP*AP*GP*CP*AP*GP*A)-3'), ... | Authors: | Carrique, L, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M. | Deposit date: | 2019-03-07 | Release date: | 2019-09-04 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.07 Å) | Cite: | Structures of influenza A virus RNA polymerase offer insight into viral genome replication. Nature, 573, 2019
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4B7Z
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![BU of 4b7z by Molmil](/molmil-images/mine/4b7z) | Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino-ethyl)-1-(4-methylphenyl)-methanesulfonamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A. | Deposit date: | 2012-08-24 | Release date: | 2013-09-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors. J.Med.Chem., 56, 2013
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6QYG
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![BU of 6qyg by Molmil](/molmil-images/mine/6qyg) | |
4AV2
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![BU of 4av2 by Molmil](/molmil-images/mine/4av2) | Single particle electron microscopy of PilQ dodecameric complexes from Neisseria meningitidis. | Descriptor: | PILP PROTEIN, TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN PILQ | Authors: | Berry, J.L, Phelan, M.M, Collins, R.F, Adomavicius, T, Tonjum, T, Frye, S.A, Bird, L, Owens, R, Ford, R.C, Lian, L.Y, Derrick, J.P. | Deposit date: | 2012-05-23 | Release date: | 2012-10-17 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (26 Å) | Cite: | Structure and Assembly of a Trans-Periplasmic Channel for Type Iv Pili in Neisseria Meningitidis. Plos Pathog., 8, 2012
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8E5Z
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![BU of 8e5z by Molmil](/molmil-images/mine/8e5z) | Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl sulfonyl benzene inhibitor | Descriptor: | (1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | Authors: | Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C. | Deposit date: | 2022-08-22 | Release date: | 2022-09-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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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6QYK
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![BU of 6qyk by Molmil](/molmil-images/mine/6qyk) | Structure of MBP-Mcl-1 in complex with compound 7a | Descriptor: | (2~{R})-2-[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-09 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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2HD3
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![BU of 2hd3 by Molmil](/molmil-images/mine/2hd3) | Crystal Structure of the Ethanolamine Utilization Protein EutN from Escherichia coli, NESG Target ER316 | Descriptor: | Ethanolamine utilization protein eutN | Authors: | Forouhar, F, Zhang, W, Jayaraman, S, Zhao, L, Jiang, M, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-06-19 | Release date: | 2006-08-15 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Functional insights from structural genomics. J.STRUCT.FUNCT.GENOM., 8, 2007
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6QZ6
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![BU of 6qz6 by Molmil](/molmil-images/mine/6qz6) | Structure of Mcl-1 in complex with compound 8b | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-11 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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4ARS
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![BU of 4ars by Molmil](/molmil-images/mine/4ars) | Hafnia Alvei phytase apo form | Descriptor: | ACETATE ION, GLYCEROL, HISTIDINE ACID PHOSPHATASE | Authors: | Ariza, A, Moroz, O.V, Blagova, E.B, Turkenburg, J.P, Vevodova, J, Roberts, S, Vind, J, Sjoholm, C, Lassen, S.F, De Maria, L, Glitsoe, V, Skov, L.K, Wilson, K.S. | Deposit date: | 2012-04-26 | Release date: | 2013-05-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Degradation of Phytate by the 6-Phytase from Hafnia Alvei: A Combined Structural and Solution Study. Plos One, 8, 2013
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6QYN
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![BU of 6qyn by Molmil](/molmil-images/mine/6qyn) | Structure of MBP-Mcl-1 in complex with compound 10d | Descriptor: | (2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-09 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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6QM6
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![BU of 6qm6 by Molmil](/molmil-images/mine/6qm6) | Cryo-EM structure of calcium-free nhTMEM16 lipid scramblase in DDM | Descriptor: | Predicted protein | Authors: | Kalienkova, V, Clerico Mosina, V, Bryner, L, Oostergetel, G.T, Dutzler, R, Paulino, C. | Deposit date: | 2019-02-01 | Release date: | 2019-03-06 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Stepwise activation mechanism of the scramblase nhTMEM16 revealed by cryo-EM. Elife, 8, 2019
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6QXE
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![BU of 6qxe by Molmil](/molmil-images/mine/6qxe) | Influenza A virus (A/NT/60/1968) polymerase dimer of hetermotrimer in complex with 3'5' cRNA promoter and Nb8205 | Descriptor: | Nb8205, Polymerase acidic protein, Polymerase basic protein 2, ... | Authors: | Carrique, L, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M. | Deposit date: | 2019-03-07 | Release date: | 2019-09-04 | Last modified: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (4.15 Å) | Cite: | Structures of influenza A virus RNA polymerase offer insight into viral genome replication. Nature, 573, 2019
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6QYF
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![BU of 6qyf by Molmil](/molmil-images/mine/6qyf) | |
6ARX
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![BU of 6arx by Molmil](/molmil-images/mine/6arx) | Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector Anopheles gambiae in the ligand-free state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, CHLORIDE ION, ... | Authors: | Cheung, J, Mahmood, A, Kalathur, R, Lixuan, L, Carlier, P.R. | Deposit date: | 2017-08-23 | Release date: | 2018-01-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Structure of the G119S Mutant Acetylcholinesterase of the Malaria Vector Anopheles gambiae Reveals Basis of Insecticide Resistance. Structure, 26, 2018
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6QMA
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![BU of 6qma by Molmil](/molmil-images/mine/6qma) | Cryo-EM structure of calcium-bound nhTMEM16 lipid scramblase in nanodisc (intermediate state) | Descriptor: | CALCIUM ION, Predicted protein | Authors: | Kalienkova, V, Clerico Mosina, V, Bryner, L, Oostergetel, G.T, Dutzler, R, Paulino, C. | Deposit date: | 2019-02-01 | Release date: | 2019-03-06 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Stepwise activation mechanism of the scramblase nhTMEM16 revealed by cryo-EM. Elife, 8, 2019
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8F6X
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![BU of 8f6x by Molmil](/molmil-images/mine/8f6x) | cryo-EM structure of a structurally designed Human metapneumovirus F protein in complex with antibody MPE8 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MPE8 Single chain variable fragment, Structurally designed HMPV F protein HMPV_v3B_D12_DS454,Fibritin | Authors: | Zhou, T, Kwong, P.D, Morano, N.C, Ou, L. | Deposit date: | 2022-11-17 | Release date: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | cryo-EM structure of a structurally designed Human metapneumovirus F protein in complex with antibody MPE8 To Be Published
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6QN3
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![BU of 6qn3 by Molmil](/molmil-images/mine/6qn3) | Structure of the Glutamine II Riboswitch | Descriptor: | BROMIDE ION, GLUTAMINE, MAGNESIUM ION, ... | Authors: | Huang, L, Lilley, D.M.J. | Deposit date: | 2019-02-08 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and ligand binding of the glutamine-II riboswitch. Nucleic Acids Res., 47, 2019
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3ZIF
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![BU of 3zif by Molmil](/molmil-images/mine/3zif) | Cryo-EM structures of two intermediates provide insight into adenovirus assembly and disassembly | Descriptor: | HEXON PROTEIN, PENTON PROTEIN, PIX, ... | Authors: | Cheng, L, Huang, X, Li, X, Xiong, W, Sun, W, Yang, C, Zhang, K, Wang, Y, Liu, H, Ji, G, Sun, F, Zheng, C, Zhu, P. | Deposit date: | 2013-01-09 | Release date: | 2014-01-22 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-Em Structures of Two Bovine Adenovirus Type 3 Intermediates Virology, 450, 2014
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6QNV
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![BU of 6qnv by Molmil](/molmil-images/mine/6qnv) | Fibrinogen-like globe domain of Human Tenascin-C | Descriptor: | Tenascin | Authors: | Coker, J.A, Bezerra, G.A, Bradshaw, W.J, Zhang, M, Yosaatmadja, Y, Fernandez-Cid, A, Shrestha, L, Burgess-Brown, N, Gileadi, O, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC) | Deposit date: | 2019-02-12 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Fibrinogen-like globe domain of Human Tenascin-C To Be Published
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3ZGP
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![BU of 3zgp by Molmil](/molmil-images/mine/3zgp) | NMR structure of the catalytic domain from E. faecium L,D- transpeptidase acylated by ertapenem | Descriptor: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, ERFK/YBIS/YCFS/YNHG | Authors: | Lecoq, L, Triboulet, S, Dubee, V, Bougault, C, Hugonnet, J.E, Arthur, M, Simorre, J.P. | Deposit date: | 2012-12-18 | Release date: | 2013-04-24 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The Structure of Enterococcus Faecium L,D---Transpeptidase Acylated by Ertapenem Provides Insight Into the Inactivation Mechanism. Acs Chem.Biol., 8, 2013
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3ZS2
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![BU of 3zs2 by Molmil](/molmil-images/mine/3zs2) | TyrB25,NMePheB26,LysB28,ProB29-insulin analogue crystal structure | Descriptor: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | Authors: | Antolikova, E, Zakova, L, Turkenburg, J.P, Watson, C.J, Hanclova, I, Sanda, M, Cooper, A, Kraus, T, Brzozowski, A.M, Jiracek, J.A. | Deposit date: | 2011-06-21 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Non-Equivalent Role of Inter- and Intramolecular Hydrogen Bonds in the Insulin Dimer Interface. J.Biol.Chem., 286, 2011
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6AO5
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![BU of 6ao5 by Molmil](/molmil-images/mine/6ao5) | Crystal structure of human MST2 in complex with SAV1 SARAH domain | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein salvador homolog 1, ... | Authors: | Tomchick, D.R, Luo, X, Ni, L. | Deposit date: | 2017-08-15 | Release date: | 2017-11-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.955 Å) | Cite: | SAV1 promotes Hippo kinase activation through antagonizing the PP2A phosphatase STRIPAK. Elife, 6, 2017
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8EM8
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![BU of 8em8 by Molmil](/molmil-images/mine/8em8) | Co-crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum in complex with RY-1-165 | Descriptor: | UNKNOWN ATOM OR ION, [(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone, cGMP-dependent protein kinase, ... | Authors: | Hutchinson, A, Dong, A, Seitova, A, Bhanot, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2022-09-27 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Co-crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum in complex with RY-1-165 To Be Published
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6QYO
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![BU of 6qyo by Molmil](/molmil-images/mine/6qyo) | Structure of MBP-Mcl-1 in complex with compound 18a | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-09 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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