5ELV
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![BU of 5elv by Molmil](/molmil-images/mine/5elv) | Crystal structure of the GluA2 ligand-binding domain (S1S2J-L504-N775) in complex with glutamate and BPAM-521 at 1.92 A resolution | Descriptor: | 4-Cyclopropyl-3,4-dihydro-7-hydroxy-2H-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, CHLORIDE ION, ... | Authors: | Krintel, C, Juknaite, L, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2015-11-05 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Enthalpy-Entropy Compensation in the Binding of Modulators at Ionotropic Glutamate Receptor GluA2. Biophys.J., 110, 2016
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8E23
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![BU of 8e23 by Molmil](/molmil-images/mine/8e23) | Human DNA polymerase theta in complex with allosteric inhibitor | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*C)-3'), DNA (5'-D(*GP*C*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*G)-3'), ... | Authors: | Mader, P, Pau, V.P.T, Sicheri, F. | Deposit date: | 2022-08-13 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Identification of RP-6685 , an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Pol theta. J.Med.Chem., 65, 2022
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8E24
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![BU of 8e24 by Molmil](/molmil-images/mine/8e24) | Human DNA polymerase theta in complex with allosteric inhibitor | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide, DNA, ... | Authors: | Mader, P, Pau, V.P.T, Sicheri, F. | Deposit date: | 2022-08-13 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Identification of RP-6685 , an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Pol theta. J.Med.Chem., 65, 2022
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8F0I
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![BU of 8f0i by Molmil](/molmil-images/mine/8f0i) | |
6OCB
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![BU of 6ocb by Molmil](/molmil-images/mine/6ocb) | |
6OC7
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![BU of 6oc7 by Molmil](/molmil-images/mine/6oc7) | HMP42 Fab in complex with Protein G | Descriptor: | Heavy chain of HMP42 Fab, Immunoglobulin G-binding protein G, Light chain for HMP42 Fab | Authors: | Bernard, S.M, Wilson, I.A. | Deposit date: | 2019-03-22 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.296 Å) | Cite: | A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses. Science, 366, 2019
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6OC3
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6O42
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6OLP
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![BU of 6olp by Molmil](/molmil-images/mine/6olp) | Full length HIV-1 Env AMC011 in complex with PGT151 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rantalainen, K, Cottrell, C.A. | Deposit date: | 2019-04-16 | Release date: | 2019-07-31 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Similarities and differences between native HIV-1 envelope glycoprotein trimers and stabilized soluble trimer mimetics. Plos Pathog., 15, 2019
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6ONF
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![BU of 6onf by Molmil](/molmil-images/mine/6onf) | Crystal structure of HIV-1 LM/HT Clade A/E CRF01 gp120 core in complex with (S)-MCG-III-188-A02. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, clade A/E 93TH057 HIV-1 gp120 core, ... | Authors: | Tolbert, W.D, Sherburn, R, Pazgier, M. | Deposit date: | 2019-04-22 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.842 Å) | Cite: | A New Family of Small-Molecule CD4-Mimetic Compounds Contacts Highly Conserved Aspartic Acid 368 of HIV-1 gp120 and Mediates Antibody-Dependent Cellular Cytotoxicity. J.Virol., 93, 2019
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6OL9
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![BU of 6ol9 by Molmil](/molmil-images/mine/6ol9) | Structure of the M5 muscarinic acetylcholine receptor (M5-T4L) bound to tiotropium | Descriptor: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ... | Authors: | Vuckovic, Z, Christopoulos, A, Thal, D.M. | Deposit date: | 2019-04-16 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.541 Å) | Cite: | Crystal structure of the M5muscarinic acetylcholine receptor. Proc.Natl.Acad.Sci.USA, 116, 2019
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4PP8
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6OZ9
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![BU of 6oz9 by Molmil](/molmil-images/mine/6oz9) | Ebola virus glycoprotein in complex with EBOV-520 Fab | Descriptor: | EBOV-520 Fab heavy chain, EBOV-520 Fab light chain, Envelope glycoprotein, ... | Authors: | Milligan, J.C, Altman, P.X, Hui, S, Hastie, K.M, Gilchuk, P, Crowe, J.E, Saphire, E.O. | Deposit date: | 2019-05-15 | Release date: | 2020-03-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.462 Å) | Cite: | Analysis of a Therapeutic Antibody Cocktail Reveals Determinants for Cooperative and Broad Ebolavirus Neutralization. Immunity, 52, 2020
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6PEH
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![BU of 6peh by Molmil](/molmil-images/mine/6peh) | Crystal structure of rabbit monoclonal anti-HIV antibody 1C2 | Descriptor: | 1C2 Fab Heavy Chain, 1C2 Fab Light Chain, SULFATE ION | Authors: | Liban, T, Pancera, M. | Deposit date: | 2019-06-20 | Release date: | 2019-11-20 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.296 Å) | Cite: | Vaccination with Glycan-Modified HIV NFL Envelope Trimer-Liposomes Elicits Broadly Neutralizing Antibodies to Multiple Sites of Vulnerability. Immunity, 51, 2019
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6PGO
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![BU of 6pgo by Molmil](/molmil-images/mine/6pgo) | Crystal structure of human KRAS G12C covalently bound to a phthalazine inhibitor | Descriptor: | 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Mohr, C. | Deposit date: | 2019-06-24 | Release date: | 2019-12-25 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of a Covalent Inhibitor of KRASG12C(AMG 510) for the Treatment of Solid Tumors. J.Med.Chem., 63, 2020
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6PBW
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![BU of 6pbw by Molmil](/molmil-images/mine/6pbw) | Crystal structure of Fab667 complex | Descriptor: | Fab667 heavy chain, Fab667 light chain, GLYCEROL, ... | Authors: | Oyen, D, Wilson, I.A. | Deposit date: | 2019-06-14 | Release date: | 2020-03-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.058 Å) | Cite: | Structure and mechanism of monoclonal antibody binding to the junctional epitope of Plasmodium falciparum circumsporozoite protein. Plos Pathog., 16, 2020
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6PGP
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6PBV
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![BU of 6pbv by Molmil](/molmil-images/mine/6pbv) | Crystal structure of Fab668 complex | Descriptor: | 1,2-ETHANEDIOL, Fab668 heavy chain, Fab668 light chain, ... | Authors: | Oyen, D, Wilson, I.A. | Deposit date: | 2019-06-14 | Release date: | 2020-03-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.566 Å) | Cite: | Structure and mechanism of monoclonal antibody binding to the junctional epitope of Plasmodium falciparum circumsporozoite protein. Plos Pathog., 16, 2020
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6P9N
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![BU of 6p9n by Molmil](/molmil-images/mine/6p9n) | CRYSTAL STRUCTURE OF HIV-1 LM/HT CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH (S)-MCG-IV-210. | Descriptor: | (3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Tolbert, W.D, Sherburn, R, Pazgier, M. | Deposit date: | 2019-06-10 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A New Family of Small-Molecule CD4-Mimetic Compounds Contacts Highly Conserved Aspartic Acid 368 of HIV-1 gp120 and Mediates Antibody-Dependent Cellular Cytotoxicity. J.Virol., 93, 2019
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6PZD
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6PZE
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![BU of 6pze by Molmil](/molmil-images/mine/6pze) | |
6PXG
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6PZF
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6PZG
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![BU of 6pzg by Molmil](/molmil-images/mine/6pzg) | Crystal structure of human NA-80 Fab | Descriptor: | NA-80 Fab heavy chain, NA-80 Fab light chain | Authors: | Zhu, X, Wilson, I.A. | Deposit date: | 2019-07-31 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies. Cell Host Microbe, 26, 2019
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6PZH
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![BU of 6pzh by Molmil](/molmil-images/mine/6pzh) | Crystal structure of human NA-22 Fab | Descriptor: | NA-22 Fab heavy chain, NA-22 Fab light chain | Authors: | Zhu, X, Wilson, I.A. | Deposit date: | 2019-07-31 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies. Cell Host Microbe, 26, 2019
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