7NEH
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![BU of 7neh by Molmil](/molmil-images/mine/7neh) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Zhou, D, Ren, J, Stuart, D. | Deposit date: | 2021-02-04 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera. Cell, 184, 2021
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6XTK
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![BU of 6xtk by Molmil](/molmil-images/mine/6xtk) | Y114C Transthyretin structure in complex with Tolcalpone | Descriptor: | Tolcapone, Transthyretin | Authors: | Varejao, N, Reverter, D, Pinheiro, F, Pallares, I, Ventura, S. | Deposit date: | 2020-01-16 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Tolcapone, a potent aggregation inhibitor for the treatment of familial leptomeningeal amyloidosis. Febs J., 288, 2021
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4FBS
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![BU of 4fbs by Molmil](/molmil-images/mine/4fbs) | Structure of monomeric NT from Euprosthenops australis Major Ampullate Spidroin 1 (MaSp1) | Descriptor: | BROMIDE ION, Major ampullate spidroin 1 | Authors: | Askarieh, G, Hedhammar, M, Rising, A, Johansson, J, Knight, S.D. | Deposit date: | 2012-05-23 | Release date: | 2012-08-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | pH-Dependent Dimerization of Spider Silk N-Terminal Domain Requires Relocation of a Wedged Tryptophan Side Chain J.Mol.Biol., 2012
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7ZRZ
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![BU of 7zrz by Molmil](/molmil-images/mine/7zrz) | |
4OYX
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![BU of 4oyx by Molmil](/molmil-images/mine/4oyx) | Human solAC Complexed with AMPCPP | Descriptor: | Adenylate cyclase type 10, CALCIUM ION, CHLORIDE ION, ... | Authors: | Vinkovic, M. | Deposit date: | 2014-02-13 | Release date: | 2014-04-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket. Chemmedchem, 9, 2014
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3TVX
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![BU of 3tvx by Molmil](/molmil-images/mine/3tvx) | The structure of PDE4A with pentoxifylline at 2.84A resolution | Descriptor: | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Badger, J, Sridhar, V. | Deposit date: | 2011-09-20 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Fragment-Based Screening for Inhibitors of PDE4A Using Enthalpy Arrays and X-ray Crystallography. J Biomol Screen, 17, 2012
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3TL5
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![BU of 3tl5 by Molmil](/molmil-images/mine/3tl5) | Discovery of GDC-0980: a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor for the Treatment of Cancer | Descriptor: | (2S)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Wiesmann, C. | Deposit date: | 2011-08-29 | Release date: | 2011-11-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.788 Å) | Cite: | Discovery of a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor (GDC-0980) for the Treatment of Cancer. J.Med.Chem., 54, 2011
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3U7J
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![BU of 3u7j by Molmil](/molmil-images/mine/3u7j) | |
3TXM
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![BU of 3txm by Molmil](/molmil-images/mine/3txm) | |
6RCW
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![BU of 6rcw by Molmil](/molmil-images/mine/6rcw) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-053 | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2019-04-11 | Release date: | 2019-07-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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3UK1
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![BU of 3uk1 by Molmil](/molmil-images/mine/3uk1) | |
3UND
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![BU of 3und by Molmil](/molmil-images/mine/3und) | |
3KP3
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![BU of 3kp3 by Molmil](/molmil-images/mine/3kp3) | Staphylococcus epidermidis in complex with ampicillin | Descriptor: | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, Transcriptional regulator TcaR | Authors: | Chang, Y.M, Chen, C.K, Wang, A.H. | Deposit date: | 2009-11-15 | Release date: | 2010-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural study of TcaR and its complexes with multiple antibiotics from Staphylococcus epidermidis. Proc.Natl.Acad.Sci.USA, 107, 2010
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6KZ5
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![BU of 6kz5 by Molmil](/molmil-images/mine/6kz5) | Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain | Descriptor: | Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate | Authors: | Hong, W, Chen, H, Wu, Q, Lin, T. | Deposit date: | 2019-09-23 | Release date: | 2020-10-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (4.45 Å) | Cite: | Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression. Proc.Natl.Acad.Sci.USA, 117, 2020
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3UJI
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![BU of 3uji by Molmil](/molmil-images/mine/3uji) | Crystal structure of anti-HIV-1 V3 Fab 2558 in complex with MN peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Envelope glycoprotein gp160, ... | Authors: | Kong, X.P. | Deposit date: | 2011-11-07 | Release date: | 2011-12-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Human Anti-V3 HIV-1 Monoclonal Antibodies Encoded by the VH5-51/VL Lambda Genes Define a Conserved Antigenic Structure. Plos One, 6, 2011
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8OJ0
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![BU of 8oj0 by Molmil](/molmil-images/mine/8oj0) | 60S ribosomal subunit bound to the E3-UFM1 complex - state 2 (native) | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R. | Deposit date: | 2023-03-23 | Release date: | 2024-02-21 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER. Nature, 627, 2024
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8B69
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![BU of 8b69 by Molmil](/molmil-images/mine/8b69) | Heterotetramer of K-Ras4B(G12V) and Rgl2(RBD) | Descriptor: | Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Tariq, M, Fairall, L, Romartinez-Alonso, B, Dominguez, C, Schwabe, J.W.R, Tanaka, K. | Deposit date: | 2022-09-26 | Release date: | 2023-08-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Structural insights into the complex of oncogenic KRas4B G12V and Rgl2, a RalA/B activator. Life Sci Alliance, 7, 2024
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5KR0
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![BU of 5kr0 by Molmil](/molmil-images/mine/5kr0) | Protease E35D-APV | Descriptor: | GLYCEROL, Protease E35D-APV, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | Authors: | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | Deposit date: | 2016-07-06 | Release date: | 2016-09-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution. J.Biol.Chem., 291, 2016
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6XM0
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![BU of 6xm0 by Molmil](/molmil-images/mine/6xm0) | Consensus structure of SARS-CoV-2 spike at pH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D. | Deposit date: | 2020-06-29 | Release date: | 2020-08-12 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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6XM5
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![BU of 6xm5 by Molmil](/molmil-images/mine/6xm5) | Structure of SARS-CoV-2 spike at pH 5.5, all RBDs down | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D. | Deposit date: | 2020-06-29 | Release date: | 2020-07-29 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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6XM4
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![BU of 6xm4 by Molmil](/molmil-images/mine/6xm4) | Structure of SARS-CoV-2 spike at pH 5.5, single RBD up, conformation 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D. | Deposit date: | 2020-06-29 | Release date: | 2020-08-12 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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7CH6
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![BU of 7ch6 by Molmil](/molmil-images/mine/7ch6) | Cryo-EM structure of E.coli MlaFEB with AMPPNP | Descriptor: | Lipid asymmetry maintenance ABC transporter permease subunit MlaE, Lipid asymmetry maintenance protein MlaB, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Zhou, C, Shi, H, Zhang, M, Huang, Y. | Deposit date: | 2020-07-05 | Release date: | 2021-08-04 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural Insight into Phospholipid Transport by the MlaFEBD Complex from P. aeruginosa. J.Mol.Biol., 433, 2021
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4UZF
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![BU of 4uzf by Molmil](/molmil-images/mine/4uzf) | |
7XSR
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![BU of 7xsr by Molmil](/molmil-images/mine/7xsr) | Structure of Craspase-target RNA | Descriptor: | CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ... | Authors: | Feng, Y, Zhang, L. | Deposit date: | 2022-05-15 | Release date: | 2022-11-09 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Target RNA activates the protease activity of Craspase to confer antiviral defense. Mol.Cell, 82, 2022
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7XSQ
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![BU of 7xsq by Molmil](/molmil-images/mine/7xsq) | Structure of the Craspase | Descriptor: | CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ... | Authors: | Feng, Y, Zhang, L. | Deposit date: | 2022-05-15 | Release date: | 2022-11-09 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Target RNA activates the protease activity of Craspase to confer antiviral defense. Mol.Cell, 82, 2022
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