5U3N
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![BU of 5u3n by Molmil](/molmil-images/mine/5u3n) | Crystal Structure of DH511.12P Fab in Complex with HIV-1 gp41 MPER Peptide | Descriptor: | DH511.12P Fab Heavy Chain, DH511.12P Fab Light Chain, gp41 MPER peptide | Authors: | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | Deposit date: | 2016-12-02 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma. Sci Immunol, 2, 2017
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5U3M
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![BU of 5u3m by Molmil](/molmil-images/mine/5u3m) | Crystal Structure of DH511.11P Fab in Complex with HIV-1 gp41 MPER Peptide | Descriptor: | DH511.11P Fab Heavy Chain, DH511.11P Fab Light Chain, gp41 MPER peptide | Authors: | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | Deposit date: | 2016-12-02 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.418 Å) | Cite: | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma. Sci Immunol, 2, 2017
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5F9E
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![BU of 5f9e by Molmil](/molmil-images/mine/5f9e) | Structure of Protein Kinase C theta with compound 10: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one | Descriptor: | 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one, Protein kinase C theta type | Authors: | Klein, M. | Deposit date: | 2015-12-09 | Release date: | 2016-05-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and optimization of 1,7-disubstituted-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-ones as potent and selective PKC theta inhibitors. Bioorg.Med.Chem., 24, 2016
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3O84
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![BU of 3o84 by Molmil](/molmil-images/mine/3o84) | Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid. | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, ... | Authors: | Drake, E.J, Duckworth, B.P, Neres, J, Aldrich, C.C, Gulick, A.M. | Deposit date: | 2010-08-02 | Release date: | 2010-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biochemical and structural characterization of bisubstrate inhibitors of BasE, the self-standing nonribosomal peptide synthetase adenylate-forming enzyme of acinetobactin synthesis. Biochemistry, 49, 2010
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4ZT5
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![BU of 4zt5 by Molmil](/molmil-images/mine/4zt5) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine (Chem 1655) | Descriptor: | (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.-Y, Hol, W.G.J. | Deposit date: | 2015-05-14 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | 5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors. Acs Infect Dis., 2, 2016
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5DD6
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![BU of 5dd6 by Molmil](/molmil-images/mine/5dd6) | |
5EIU
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![BU of 5eiu by Molmil](/molmil-images/mine/5eiu) | Mini TRIM5 B-box 2 dimer C2 crystal form | Descriptor: | TRIM protein-E3 ligase Chimera, ZINC ION | Authors: | Wagner, J.M, Doss, G, Pornillos, O. | Deposit date: | 2015-10-30 | Release date: | 2016-06-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.908 Å) | Cite: | Mechanism of B-box 2 domain-mediated higher-order assembly of the retroviral restriction factor TRIM5 alpha. Elife, 5, 2016
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4LVG
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![BU of 4lvg by Molmil](/molmil-images/mine/4lvg) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | (1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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5UKR
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![BU of 5ukr by Molmil](/molmil-images/mine/5ukr) | |
3KBD
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![BU of 3kbd by Molmil](/molmil-images/mine/3kbd) | MUTATED NF KAPPA-B SITE, BI MODEL | Descriptor: | DNA (5'-D(*CP*CP*TP*GP*GP*AP*AP*AP*GP*TP*GP*AP*GP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*CP*TP*CP*AP*CP*TP*TP*TP*CP*CP*AP*GP*G)-3') | Authors: | Tisne, C, Hartmann, B, Delepierre, M. | Deposit date: | 1998-11-30 | Release date: | 1999-10-14 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | NF-kappa B binding mechanism: a nuclear magnetic resonance and modeling study of a GGG --> CTC mutation. Biochemistry, 38, 1999
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6E3T
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![BU of 6e3t by Molmil](/molmil-images/mine/6e3t) | Crystal Structure of the Heterodimeric HIF-2 Complex with Antagonist T1001 | Descriptor: | (6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | Authors: | Wu, D, Su, X, Lu, J, Li, S, Hood, B, Vasile, S, Potluri, N, Diao, X, Kim, Y, Khorasanizadeh, S, Rastinejad, F. | Deposit date: | 2018-07-15 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Bidirectional modulation of HIF-2 activity through chemical ligands. Nat. Chem. Biol., 15, 2019
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5U3P
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![BU of 5u3p by Molmil](/molmil-images/mine/5u3p) | Crystal Structure of DH511.4 Fab | Descriptor: | DH511.4 Fab Heavy Chain, DH511.4 Fab Light Chain | Authors: | Nicely, N.I, Williams, L.D, Ofek, G, Haynes, B.F. | Deposit date: | 2016-12-02 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma. Sci Immunol, 2, 2017
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5U3J
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![BU of 5u3j by Molmil](/molmil-images/mine/5u3j) | Crystal Structure of DH511.1 Fab in Complex with HIV-1 gp41 MPER Peptide | Descriptor: | DH511.1 Heavy Chain, DH511.1 Light Chain, gp41 MPER peptide | Authors: | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | Deposit date: | 2016-12-02 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma. Sci Immunol, 2, 2017
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6E0R
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![BU of 6e0r by Molmil](/molmil-images/mine/6e0r) | hALK in complex with compound 7 N-((1S)-1-(5-fluoropyridin-2-yl)ethyl)-1-(5-methyl-1H-pyrazol-3-yl)-3-(oxetan-3-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-6-amine | Descriptor: | ALK tyrosine kinase receptor, N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine | Authors: | Lane, W, Saikatendu, K. | Deposit date: | 2018-07-06 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors. J.Med.Chem., 62, 2019
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3M2R
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![BU of 3m2r by Molmil](/molmil-images/mine/3m2r) | Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues | Descriptor: | 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, Coenzyme B, ... | Authors: | Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M. | Deposit date: | 2010-03-08 | Release date: | 2010-09-15 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues. Biochemistry, 49, 2010
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3M1V
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![BU of 3m1v by Molmil](/molmil-images/mine/3m1v) | Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues | Descriptor: | 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M. | Deposit date: | 2010-03-05 | Release date: | 2010-09-15 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues. Biochemistry, 49, 2010
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6GIK
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![BU of 6gik by Molmil](/molmil-images/mine/6gik) | NMR structure of temporin B L1FK in SDS micelles | Descriptor: | temporinB_L1FK | Authors: | Manzo, G, Mason, J.A. | Deposit date: | 2018-05-12 | Release date: | 2018-06-13 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Minor sequence modifications in temporin B cause drastic changes in antibacterial potency and selectivity by fundamentally altering membrane activity. Sci Rep, 9, 2019
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8KG5
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![BU of 8kg5 by Molmil](/molmil-images/mine/8kg5) | Prefusion RSV F Bound to Lonafarnib and D25 Fab | Descriptor: | 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, D25 heavy chain, D25 light chain, ... | Authors: | Yang, Q, Xue, B, Liu, F, Peng, W, Chen, X. | Deposit date: | 2023-08-17 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Farnesyltransferase inhibitor lonafarnib suppresses respiratory syncytial virus infection by blocking conformational change of fusion glycoprotein. Signal Transduct Target Ther, 9, 2024
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3M30
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![BU of 3m30 by Molmil](/molmil-images/mine/3m30) | Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues | Descriptor: | 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M. | Deposit date: | 2010-03-08 | Release date: | 2010-09-15 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues. Biochemistry, 49, 2010
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3M2U
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![BU of 3m2u by Molmil](/molmil-images/mine/3m2u) | Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues | Descriptor: | 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M. | Deposit date: | 2010-03-08 | Release date: | 2010-09-15 | Last modified: | 2017-03-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues. Biochemistry, 49, 2010
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6EBW
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![BU of 6ebw by Molmil](/molmil-images/mine/6ebw) | hALK in complex with compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-yl)ethyl)amino)-1-(3-methyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)(morpholin-4-yl)methanone | Descriptor: | ALK tyrosine kinase receptor, [6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone | Authors: | Lane, W, Saikatendu, K. | Deposit date: | 2018-08-07 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.455 Å) | Cite: | Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors. J.Med.Chem., 62, 2019
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1UXW
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![BU of 1uxw by Molmil](/molmil-images/mine/1uxw) | CRYSTAL STRUCTURE OF HLA-B*2709 COMPLEXED WITH THE LATENT MEMBRANE PROTEIN 2 PEPTIDE (LMP2) OF EPSTEIN-BARR VIRUS | Descriptor: | BETA-2-MICROGLOBULIN, GENE TERMINAL PROTEIN (MEMBRANE PROTEIN LMP-2A/LMP-2B), GLYCEROL, ... | Authors: | Hulsmeyer, M, Kozerski, C, Fiorillo, M.T, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | Deposit date: | 2004-03-01 | Release date: | 2004-11-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Allele-Dependent Similarity between Viral and Self-Peptide Presentation by Hla-B27 Subtypes J.Biol.Chem., 280, 2005
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3N7R
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![BU of 3n7r by Molmil](/molmil-images/mine/3n7r) | Crystal structure of the ectodomain complex of the CGRP receptor, a Class-B GPCR, reveals the site of drug antagonism | Descriptor: | Calcitonin gene-related peptide type 1 receptor, N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide, N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide, ... | Authors: | Ter Haar, E. | Deposit date: | 2010-05-27 | Release date: | 2010-09-15 | Last modified: | 2022-10-26 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of the Ectodomain Complex of the CGRP Receptor, a Class-B GPCR, Reveals the Site of Drug Antagonism. Structure, 18, 2010
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1UXS
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![BU of 1uxs by Molmil](/molmil-images/mine/1uxs) | CRYSTAL STRUCTURE OF HLA-B*2705 COMPLEXED WITH THE LATENT MEMBRANE PROTEIN 2 PEPTIDE (LMP2)OF EPSTEIN-BARR VIRUS | Descriptor: | BETA-2-MICROGLOBULIN, GENE TERMINAL PROTEIN (MEMBRANE PROTEIN LMP-2A/LMP-2B), GLYCEROL, ... | Authors: | Hulsmeyer, M, Kozerski, C, Fiorillo, M.T, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | Deposit date: | 2004-03-01 | Release date: | 2004-11-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Allele-Dependent Similarity between Viral and Self-Peptide Presentation by Hla-B27 Subtypes J.Biol.Chem., 280, 2005
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3PQU
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![BU of 3pqu by Molmil](/molmil-images/mine/3pqu) | |