8TR3
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![BU of 8tr3 by Molmil](/molmil-images/mine/8tr3) | Cryo-EM structure of HmAb64 scFv in complex with CNE40 SOSIP 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, CNE40 SOSIP Envelope glycoprotein gp120, ... | Authors: | Chan, K.-W, Kong, X.P. | Deposit date: | 2023-08-09 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Human CD4-binding site antibody elicited by polyvalent DNA prime-protein boost vaccine neutralizes cross-clade tier-2-HIV strains. Nat Commun, 15, 2024
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6N7J
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6FEW
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![BU of 6few by Molmil](/molmil-images/mine/6few) | DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.440A, P1211, Rfree=24.1% | Descriptor: | 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, Epithelial discoidin domain-containing receptor 1 | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-03 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
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5DVV
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![BU of 5dvv by Molmil](/molmil-images/mine/5dvv) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Triaryl-imine analog 4,4'-(phenylcarbonimidoyl)diphenol | Descriptor: | 4,4'-(phenylcarbonimidoyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-21 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.505 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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7KO8
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![BU of 7ko8 by Molmil](/molmil-images/mine/7ko8) | Cryo-EM structure of the mature and infective Mayaro virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein, E1 glycoprotein, ... | Authors: | Riberio-Filho, H.V, Coimbra, L.D, Cassago, A, Rocha, R.P.F, Padilha, A.C.M, Schatz, M, van Heel, M.G, Portugal, R.V, Trivella, D.B.B, de Oliveira, P.S.L, Marques, R.E. | Deposit date: | 2020-11-06 | Release date: | 2021-04-28 | Last modified: | 2021-11-10 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Cryo-EM structure of the mature and infective Mayaro virus at 4.4 angstrom resolution reveals features of arthritogenic alphaviruses. Nat Commun, 12, 2021
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6FIO
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![BU of 6fio by Molmil](/molmil-images/mine/6fio) | DDR1, 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.990A, P6522, Rfree=27.7% | Descriptor: | 2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Epithelial discoidin domain-containing receptor 1 | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-19 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
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6T68
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![BU of 6t68 by Molmil](/molmil-images/mine/6t68) | Crystal structure of Trypanosoma brucei Morn1 | Descriptor: | CHLORIDE ION, MORN repeat-containing protein 1 | Authors: | Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K. | Deposit date: | 2019-10-17 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats. Plos One, 15, 2020
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8HVP
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![BU of 8hvp by Molmil](/molmil-images/mine/8hvp) | STRUCTURE AT 2.5-ANGSTROMS RESOLUTION OF CHEMICALLY SYNTHESIZED HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE COMPLEXED WITH A HYDROXYETHYLENE*-BASED INHIBITOR | Descriptor: | HIV-1 PROTEASE, INHIBITOR VAL-SER-GLN-ASN-LEU-PSI(CH(OH)-CH2)-VAL-ILE-VAL (U-85548E) | Authors: | Jaskolski, M, Miller, M, Tomasselli, A.G, Sawyer, T.K, Staples, D.G, Heinrikson, R.L, Schneider, J, Kent, S.B.H, Wlodawer, A. | Deposit date: | 1990-10-26 | Release date: | 1993-10-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure at 2.5-A resolution of chemically synthesized human immunodeficiency virus type 1 protease complexed with a hydroxyethylene-based inhibitor. Biochemistry, 30, 1991
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6VIU
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8GB1
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![BU of 8gb1 by Molmil](/molmil-images/mine/8gb1) | Crystal structure of SAMHD1 dimer bound to deoxyguanosine linked inhibitor | Descriptor: | 5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION | Authors: | Egleston, M, Dong, L, Howlader, A.H, Bhat, S, Orris, B, Bianchet, M.A, Greenberg, M.M, Stivers, J.T. | Deposit date: | 2023-02-24 | Release date: | 2023-06-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Deoxyguanosine-Linked Bifunctional Inhibitor of SAMHD1 dNTPase Activity and Nucleic Acid Binding. Acs Chem.Biol., 18, 2023
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4XVT
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![BU of 4xvt by Molmil](/molmil-images/mine/4xvt) | Crystal structure of HIV-1 93TH057 coreE gp120 with antibody 45-VRC01.H01+07.O-863513/45-VRC01.L01+07.O-110653 (VRC07_1995) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 45-VRC01.H01+07.O-863513/45-VRC01.L01+07.O-110653 (VRC07_1995) Light chain, ENVELOPE GLYCOPROTEIN GP120 OF HIV-1 CLADE A/E, ... | Authors: | Joyce, M.G, Mascola, J.R, Kwong, P.D. | Deposit date: | 2015-01-28 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection. Cell, 161, 2015
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6T2T
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![BU of 6t2t by Molmil](/molmil-images/mine/6t2t) | Crystal structure of Drosophila melanogaster glutathione S-transferase epsilon 14 in complex with glutathione and 2-methyl-2,4-pentanediol | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLUTATHIONE, Glutathione S-transferase E14 | Authors: | Skerlova, J, Lindstrom, H, Sjodin, B, Gonis, E, Neiers, F, Mannervik, B, Stenmark, P. | Deposit date: | 2019-10-09 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure and steroid isomerase activity of Drosophila glutathione transferase E14 essential for ecdysteroid biosynthesis. Febs Lett., 594, 2020
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4XYX
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![BU of 4xyx by Molmil](/molmil-images/mine/4xyx) | NanB plus Optactamide | Descriptor: | Optactamide, PHOSPHATE ION, Sialidase B | Authors: | Rogers, G.W, Brear, P, Yang, L, Taylor, G.L, Westwood, N.J. | Deposit date: | 2015-02-03 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB To Be Published
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4XMI
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8GVC
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![BU of 8gvc by Molmil](/molmil-images/mine/8gvc) | The cryo-EM structure of hAE2 with bicarbonate | Descriptor: | Anion exchange protein 2, BICARBONATE ION | Authors: | Zhang, Q, Jian, L, Yao, D, Rao, B, Hu, K, Xia, Y, Cao, Y. | Deposit date: | 2022-09-14 | Release date: | 2023-04-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | The structural basis of the pH-homeostasis mediated by the Cl - /HCO 3 - exchanger, AE2. Nat Commun, 14, 2023
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6BP2
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![BU of 6bp2 by Molmil](/molmil-images/mine/6bp2) | Therapeutic human monoclonal antibody MR191 bound to a marburgvirus glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, Envelope glycoprotein GP2, ... | Authors: | King, L.B, Fusco, M.L, Flyak, A.I, Ilinykh, P.A, Huang, K, Gunn, B, Kirchdoerfer, R.N, Hastie, K.M, Sangha, A.K, Meiler, J, Alter, G, Bukreyev, A, Crowe, J.E.J, Saphire, E.O. | Deposit date: | 2017-11-21 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.172 Å) | Cite: | The Marburgvirus-Neutralizing Human Monoclonal Antibody MR191 Targets a Conserved Site to Block Virus Receptor Binding. Cell Host Microbe, 23, 2018
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6G9T
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![BU of 6g9t by Molmil](/molmil-images/mine/6g9t) | CRYSTAL STRUCTURE OF CMY-136 class C BETA-LACTAMASE | Descriptor: | Beta-lactamase, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Zavala, A, Retailleau, P, Naas, T, Iorga, B. | Deposit date: | 2018-04-11 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Genetic, Biochemical, and Structural Characterization of CMY-136 beta-Lactamase, a Peculiar CMY-2 Variant. Acs Infect Dis., 5, 2019
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6HJR
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6NI4
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6HOO
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![BU of 6hoo by Molmil](/molmil-images/mine/6hoo) | Crystal Structure of Rationally Designed OXA-48loop18 beta-lactamase | Descriptor: | Beta-lactamase,OXA-48loop18,Beta-lactamase, FLUORIDE ION, GLYCEROL, ... | Authors: | Zavala, A, Retailleau, P, Dabos, L, Naas, T, Iorga, B. | Deposit date: | 2018-09-17 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Substrate Specificity of OXA-48 after beta 5-beta 6 Loop Replacement. Acs Infect Dis., 6, 2020
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4XU0
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4XSY
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![BU of 4xsy by Molmil](/molmil-images/mine/4xsy) | Crystal structure of CBR 9379 bound to Escherichia coli RNA polymerase holoenzyme | Descriptor: | 3-{[(2,6-dichlorophenyl)carbamoyl]amino}-N-hydroxy-N'-phenyl-5-(trifluoromethyl)benzenecarboximidamide, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Bae, B, Darst, S.A. | Deposit date: | 2015-01-22 | Release date: | 2015-07-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (4.007 Å) | Cite: | CBR antimicrobials inhibit RNA polymerase via at least two bridge-helix cap-mediated effects on nucleotide addition. Proc.Natl.Acad.Sci.USA, 112, 2015
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5G0I
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![BU of 5g0i by Molmil](/molmil-images/mine/5g0i) | Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker cleaved) in complex with Nexturastat A | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, HDAC6, ... | Authors: | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | Deposit date: | 2016-03-18 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition Nat.Chem.Biol., 12, 2016
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8THF
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![BU of 8thf by Molmil](/molmil-images/mine/8thf) | SARS-CoV-2 BA.1 S-6P-no-RBD | 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 protein S1,Spike glycoprotein | Authors: | Bu, F, Li, F, Liu, B. | Deposit date: | 2023-07-15 | Release date: | 2024-07-17 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Universal subunit vaccine protects against multiple SARS-CoV-2 variants and SARS-CoV. Npj Vaccines, 9, 2024
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6HR2
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![BU of 6hr2 by Molmil](/molmil-images/mine/6hr2) | Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB | Descriptor: | (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. | Deposit date: | 2018-09-26 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design. Nat.Chem.Biol., 15, 2019
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