7N8C
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![BU of 7n8c by Molmil](/molmil-images/mine/7n8c) | Joint X-ray/neutron structure of SARS-CoV-2 main protease (Mpro) in complex with Mcule5948770040 | Descriptor: | 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-06-14 | Release date: | 2021-06-23 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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8FR6
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![BU of 8fr6 by Molmil](/molmil-images/mine/8fr6) | Antibody vFP53.02 in complex with HIV-1 envelope trimer BG505 DS-SOSIP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Wang, S, Kwong, P.D. | Deposit date: | 2023-01-06 | Release date: | 2023-04-19 | Last modified: | 2023-06-07 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization. J.Virol., 97, 2023
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8GAS
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![BU of 8gas by Molmil](/molmil-images/mine/8gas) | vFP48.02 Fab in complex with BG505 DS-SOSIP Env trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2023-02-23 | Release date: | 2023-04-19 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (4.04 Å) | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization. J.Virol., 97, 2023
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8G85
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![BU of 8g85 by Molmil](/molmil-images/mine/8g85) | vFP52.02 Fab in complex with BG505 DS-SOSIP Env trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2023-02-17 | Release date: | 2023-04-19 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.99 Å) | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization. J.Virol., 97, 2023
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4NSQ
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![BU of 4nsq by Molmil](/molmil-images/mine/4nsq) | Crystal structure of PCAF | Descriptor: | COENZYME A, Histone acetyltransferase KAT2B | Authors: | Lin, J.Y, Cai, Y.F. | Deposit date: | 2013-11-28 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3108 Å) | Cite: | Dimeric structure of p300/CBP associated factor. Bmc Struct.Biol., 14, 2014
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6VC8
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![BU of 6vc8 by Molmil](/molmil-images/mine/6vc8) | Crystal structure of wild-type KRAS4b(1-169) in complex with GMPPNP and Mg ion | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Tran, T.H, Davies, D.R, Edwards, T.E, Simanshu, D.K. | Deposit date: | 2019-12-20 | Release date: | 2021-02-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
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8G4M
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![BU of 8g4m by Molmil](/molmil-images/mine/8g4m) | Vaccine-elicited human antibody 2C06 in complex with HIV-1 envelope trimer BG505 DS-SOSIP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Wang, S, Morano, N.C, Shapiro, L, Kwong, P.D. | Deposit date: | 2023-02-10 | Release date: | 2023-07-12 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | HIV-1 neutralizing antibodies elicited in humans by a prefusion-stabilized envelope trimer form a reproducible class targeting fusion peptide. Cell Rep, 42, 2023
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8G4T
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![BU of 8g4t by Molmil](/molmil-images/mine/8g4t) | Vaccine-elicited human antibody 2C09 in complex with HIV-1 envelope trimer BG505 DS-SOSIP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein BG505 DS-SOSIP gp120, ... | Authors: | Wang, S, Kwong, P.D. | Deposit date: | 2023-02-10 | Release date: | 2023-07-12 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | HIV-1 neutralizing antibodies elicited in humans by a prefusion-stabilized envelope trimer form a reproducible class targeting fusion peptide. Cell Rep, 42, 2023
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4X3V
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![BU of 4x3v by Molmil](/molmil-images/mine/4x3v) | Crystal structure of human ribonucleotide reductase 1 bound to inhibitor | Descriptor: | N~6~-{N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2-methyl-D-alanyl}-D-lysine, Ribonucleoside-diphosphate reductase large subunit, THYMIDINE-5'-TRIPHOSPHATE | Authors: | Dealwis, C.G, Ahmad, M.F, Alam, I. | Deposit date: | 2014-12-01 | Release date: | 2015-11-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Identification of Non-nucleoside Human Ribonucleotide Reductase Modulators. J.Med.Chem., 58, 2015
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7QUR
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![BU of 7qur by Molmil](/molmil-images/mine/7qur) | SARS-CoV-2 Spike with ethylbenzamide-tri-iodo Siallyllactose, C3 symmetry | Descriptor: | 2,3,5-tris(iodanyl)benzamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Naismith, J.H, Yang, Y, Liu, J.W. | Deposit date: | 2022-01-18 | Release date: | 2022-06-01 | Last modified: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (2.27 Å) | Cite: | Pathogen-sugar interactions revealed by universal saturation transfer analysis. Science, 377, 2022
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7QUS
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![BU of 7qus by Molmil](/molmil-images/mine/7qus) | SARS-CoV-2 Spike, C3 symmetry | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | Authors: | Naismith, J.H, Yang, Y, Liu, J.W. | Deposit date: | 2022-01-18 | Release date: | 2022-06-08 | Last modified: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (2.39 Å) | Cite: | Pathogen-sugar interactions revealed by universal saturation transfer analysis. Science, 377, 2022
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8TCF
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![BU of 8tcf by Molmil](/molmil-images/mine/8tcf) | Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | Deposit date: | 2023-06-30 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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8TCG
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![BU of 8tcg by Molmil](/molmil-images/mine/8tcg) | Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ... | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | Deposit date: | 2023-06-30 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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6WKP
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![BU of 6wkp by Molmil](/molmil-images/mine/6wkp) | Crystal structure of RNA-binding domain of nucleocapsid phosphoprotein from SARS CoV-2, monoclinic crystal form | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nucleoprotein, ZINC ION | Authors: | Chang, C, Michalska, K, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-16 | Release date: | 2020-04-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies. Iscience, 27, 2024
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6VZI
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![BU of 6vzi by Molmil](/molmil-images/mine/6vzi) | |
6W03
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![BU of 6w03 by Molmil](/molmil-images/mine/6w03) | |
5U5S
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![BU of 5u5s by Molmil](/molmil-images/mine/5u5s) | |
7PQV
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![BU of 7pqv by Molmil](/molmil-images/mine/7pqv) | MEK1 IN COMPLEX WITH COMPOUND 7 | Descriptor: | 8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Moebitz, H. | Deposit date: | 2021-09-20 | Release date: | 2022-03-16 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Discovery of MAP855, an Efficacious and Selective MEK1/2 Inhibitor with an ATP-Competitive Mode of Action. J.Med.Chem., 65, 2022
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7K7Q
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![BU of 7k7q by Molmil](/molmil-images/mine/7k7q) | |
6T5I
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![BU of 6t5i by Molmil](/molmil-images/mine/6t5i) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with inhibitor of WNT production (IWP)-2 | Descriptor: | DIMETHYL SULFOXIDE, Listeriolysin positive regulatory factor A, SODIUM ION, ... | Authors: | Oelker, M, Grundstrom, C, Blumenthal, A, Sauer-Eriksson, A.E. | Deposit date: | 2019-10-16 | Release date: | 2021-10-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of the master regulator of Listeria monocytogenes virulence enables bacterial clearance from spacious replication vacuoles in infected macrophages. Plos Pathog., 18, 2022
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7K7O
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![BU of 7k7o by Molmil](/molmil-images/mine/7k7o) | |
5EOB
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![BU of 5eob by Molmil](/molmil-images/mine/5eob) | Crystal structure of CMET in complex with novel inhibitor | Descriptor: | 6-[bis(fluoranyl)-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline, Hepatocyte growth factor receptor | Authors: | Liu, Q, Chen, T, Xu, Y. | Deposit date: | 2015-11-10 | Release date: | 2016-10-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of 6-(difluoro(6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl)quinoline as a highly potent and selective c-Met inhibitor Eur.J.Med.Chem., 116, 2016
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7R7Z
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![BU of 7r7z by Molmil](/molmil-images/mine/7r7z) | Crystal structure of QW9-HLA-B*5301 specific T Cell Receptor, C3 | Descriptor: | Alpha chain of C3 TCR, Beta chain of C3 TCR, HEXAETHYLENE GLYCOL, ... | Authors: | Li, X.L, Tan, K.M, Xu, S.T, Ng, R, Walker, B.D, Wang, J.H. | Deposit date: | 2021-06-25 | Release date: | 2022-06-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.286 Å) | Cite: | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide. Nat Commun, 14, 2023
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6NXG
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![BU of 6nxg by Molmil](/molmil-images/mine/6nxg) | Crystal structure of glycylpeptide N-tetradecanoyltransferase from Plasmodium vivax in complex with inhibitor 303a | Descriptor: | 1,2-ETHANEDIOL, 5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one, BETA-MERCAPTOETHANOL, ... | Authors: | Staker, B.L, Mayclin, S, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2019-02-08 | Release date: | 2020-01-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of Selective Inhibitors ofPlasmodiumN-Myristoyltransferase by High-Throughput Screening. J.Med.Chem., 63, 2020
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7R7V
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![BU of 7r7v by Molmil](/molmil-images/mine/7r7v) | Crystal structure of HLA-B*5301 complex with an HIV-1 Gag-derived epitope QW9 | Descriptor: | Beta-2-microglobulin, GLN-ALA-SER-GLN-GLU-VAL-LYS-ASN-TRP, GLYCEROL, ... | Authors: | Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H. | Deposit date: | 2021-06-25 | Release date: | 2022-06-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide. Nat Commun, 14, 2023
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