5FDL
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![BU of 5fdl by Molmil](/molmil-images/mine/5fdl) | Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899 | Descriptor: | P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate | Authors: | Dousson, C.B, Alexandre, F.-R, Convard, T, Fisher, M, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2015-12-16 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor. J.Med.Chem., 59, 2016
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4BRE
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![BU of 4bre by Molmil](/molmil-images/mine/4bre) | Legionella pneumophila NTPDase1 crystal form II (closed) in complex with transition state mimic adenosine 5'phosphovanadate | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-PHOSPHOVANADATE, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, ... | Authors: | Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. | Deposit date: | 2013-06-04 | Release date: | 2013-07-17 | Last modified: | 2013-12-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
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4BRN
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![BU of 4brn by Molmil](/molmil-images/mine/4brn) | Legionella pneumophila NTPDase1 crystal form III (closed) in complex with Mg AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, ... | Authors: | Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. | Deposit date: | 2013-06-04 | Release date: | 2013-07-17 | Last modified: | 2013-12-25 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
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4BSE
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![BU of 4bse by Molmil](/molmil-images/mine/4bse) | Human H7N9 Influenza Virus Haemagglutinin in Complex with Human Receptor Analogue LSTc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ HA1, ... | Authors: | Xiong, X, Haire, L.F, Martin, S.R, Wharton, S.A, Daniels, R.S, Bennett, M.S, McCauley, J.W, Collins, P.J, Walker, P.A, Skehel, J.J, Gamblin, S.J. | Deposit date: | 2013-06-10 | Release date: | 2013-07-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Receptor Binding by an H7N9 Influenza Virus from Humans Nature, 499, 2013
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4BSW
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![BU of 4bsw by Molmil](/molmil-images/mine/4bsw) | Heterodimeric Fc Antibody Azymetric Variant 2 | Descriptor: | 1,2-ETHANEDIOL, HETERODIMERIC FC ANTIBODY AZYMETRIC VARIANT 2, IODIDE ION, ... | Authors: | Suits, M.D.L, Spreter, T, Cabrera, E.E, Dixit, S.B, Lario, P.I, Poon, D.K.Y, D'Angelo, I.E.P, Boulanger, M.J. | Deposit date: | 2013-06-11 | Release date: | 2013-08-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Improving Biophysical Properties of a Bispecific Antibody Scaffold to Aid Developability: Quality by Molecular Design. Mabs, 5, 2013
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4LYL
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![BU of 4lyl by Molmil](/molmil-images/mine/4lyl) | Crystal structure of uracil-DNA glycosylase from cod (Gadus morhua) in complex with the proteinaceous inhibitor UGI | Descriptor: | Uracil-DNA glycosylase, Uracil-DNA glycosylase inhibitor | Authors: | Assefa, N.G, Niiranen, L.M.K, Johnson, K.A, Leiros, H.-K.S, Smalas, A.O, Willassen, N.P, Moe, E. | Deposit date: | 2013-07-31 | Release date: | 2014-08-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural and biophysical analysis of interactions between cod and human uracil-DNA N-glycosylase (UNG) and UNG inhibitor (Ugi). Acta Crystallogr.,Sect.D, 70, 2014
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5O35
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![BU of 5o35 by Molmil](/molmil-images/mine/5o35) | Structure of complement proteins complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, Complement factor H,Complement factor H | Authors: | Xue, X, Wu, J, Forneris, F, Gros, P. | Deposit date: | 2017-05-23 | Release date: | 2017-06-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Regulator-dependent mechanisms of C3b processing by factor I allow differentiation of immune responses. Nat. Struct. Mol. Biol., 24, 2017
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6IGZ
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![BU of 6igz by Molmil](/molmil-images/mine/6igz) | Structure of PSI-LHCI | Descriptor: | (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Xiong, P, Xiaochun, Q. | Deposit date: | 2018-09-27 | Release date: | 2019-02-13 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Structure of a green algal photosystem I in complex with a large number of light-harvesting complex I subunits. Nat Plants, 5, 2019
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6N4Q
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![BU of 6n4q by Molmil](/molmil-images/mine/6n4q) | CryoEM structure of Nav1.7 VSD2 (actived state) in complex with the gating modifier toxin ProTx2 | Descriptor: | Beta/omega-theraphotoxin-Tp2a, Fab heavy chain, Fab light chain, ... | Authors: | Xu, H, Rohou, A, Arthur, C.P, Estevez, A, Ciferri, C, Payandeh, J, Koth, C.M. | Deposit date: | 2018-11-20 | Release date: | 2019-01-23 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin. Cell, 176, 2019
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6VJP
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![BU of 6vjp by Molmil](/molmil-images/mine/6vjp) | Structure of Staphylococcus aureus peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain | Descriptor: | Acetyltransferase, SODIUM ION | Authors: | Jones, C.J, Sychantha, D, Howell, P.L, Clarke, A.J. | Deposit date: | 2020-01-16 | Release date: | 2020-05-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.711 Å) | Cite: | Structural basis for theO-acetyltransferase function of the extracytoplasmic domain of OatA fromStaphylococcus aureus. J.Biol.Chem., 295, 2020
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2HYY
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![BU of 2hyy by Molmil](/molmil-images/mine/2hyy) | Human Abl kinase domain in complex with imatinib (STI571, Glivec) | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | Deposit date: | 2006-08-08 | Release date: | 2007-01-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia. ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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3NJ8
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![BU of 3nj8 by Molmil](/molmil-images/mine/3nj8) | |
2Y6T
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![BU of 2y6t by Molmil](/molmil-images/mine/2y6t) | Molecular Recognition of Chymotrypsin by the Serine Protease Inhibitor Ecotin from Yersinia pestis | Descriptor: | CHYMOTRYPSINOGEN A, ECOTIN, SULFATE ION | Authors: | Clark, E.A, Walker, N, Ford, D.C, Cooper, I.A, Oyston, P.C.F, Acharya, K.R. | Deposit date: | 2011-01-26 | Release date: | 2011-04-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Molecular Recognition of Chymotrypsin by the Serine Protease Inhibitor Ecotin from Yersinia Pestis. J.Biol.Chem., 286, 2011
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6N67
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![BU of 6n67 by Molmil](/molmil-images/mine/6n67) | |
6BF4
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![BU of 6bf4 by Molmil](/molmil-images/mine/6bf4) | |
5FYZ
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![BU of 5fyz by Molmil](/molmil-images/mine/5fyz) | Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 2-(2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile (N10063a) | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, LYSINE-SPECIFIC DEMETHYLASE 5B, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | Deposit date: | 2016-03-10 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N10063A To be Published
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4C8G
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![BU of 4c8g by Molmil](/molmil-images/mine/4c8g) | IspF (Burkholderia cenocepacia) CMP complex | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE, CYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | O'Rourke, P.E.F, Kalinowska-Tluscik, J, Fyfe, P.K, Dawson, A, Hunter, W.N. | Deposit date: | 2013-10-01 | Release date: | 2014-01-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Ispf from Plasmodium Falciparum and Burkholderia Cenocepacia: Comparisons Inform Antimicrobial Drug Target Assessment. Bmc Struct.Biol., 14, 2014
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4P23
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![BU of 4p23 by Molmil](/molmil-images/mine/4p23) | J809.B5 TCR bound to IAb/3K | Descriptor: | 3K peptide and MHC IAb beta chain,H-2 class II histocompatibility antigen, A beta chain, H-2 class II histocompatibility antigen, ... | Authors: | Stadinski, B.D, Huseby, E.S, Trenh, P, Stern, L. | Deposit date: | 2014-02-28 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Effect of CDR3 Sequences and Distal V Gene Residues in Regulating TCR-MHC Contacts and Ligand Specificity. J Immunol., 192, 2014
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6VI3
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![BU of 6vi3 by Molmil](/molmil-images/mine/6vi3) | Straight Filament from Alzheimer's Disease Human Brain Tissue | Descriptor: | GLYCINE, Microtubule-associated protein tau | Authors: | Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P. | Deposit date: | 2020-01-11 | Release date: | 2020-04-15 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains Cell, 180, 2020
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8DUA
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![BU of 8dua by Molmil](/molmil-images/mine/8dua) | SIV E660.CR54 SOS-2P Env Trimer with ITS92.02 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, Envelope glycoprotein gp41, ... | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2022-07-27 | Release date: | 2022-10-26 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (4.32 Å) | Cite: | Cryo-EM structures of prefusion SIV envelope trimer. Nat.Struct.Mol.Biol., 29, 2022
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5FYU
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![BU of 5fyu by Molmil](/molmil-images/mine/5fyu) | Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 3-Amino-4-methyl-1,3-dihydro-2H-indol-2-one (N10042a) | Descriptor: | (3R)-3-azanyl-4-methyl-1,3-dihydroindol-2-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Pearce, N, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | Deposit date: | 2016-03-09 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N10042A To be Published
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6FP5
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![BU of 6fp5 by Molmil](/molmil-images/mine/6fp5) | Crystal structure of ZAD-domain of CG2712 protein from D.melanogaster | Descriptor: | CG2712, GLYCEROL, ZINC ION | Authors: | Boyko, K.M, Nikolaeva, A.Y, Bonchuk, A.N, Kachalova, G.S, Georgiev, P.G, Popov, V.O. | Deposit date: | 2018-02-09 | Release date: | 2019-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of diversity and homodimerization specificity of zinc-finger-associated domains in Drosophila. Nucleic Acids Res., 49, 2021
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6MSN
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4MC8
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![BU of 4mc8 by Molmil](/molmil-images/mine/4mc8) | Hedycaryol synthase in complex with HEPES | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Putative sesquiterpene cyclase | Authors: | Baer, P, Rabe, P, Cirton, C, Oliveira Mann, C, Kaufmann, N, Groll, M, Dickschat, J. | Deposit date: | 2013-08-21 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Hedycaryol synthase in complex with nerolidol reveals terpene cyclase mechanism. Chembiochem, 15, 2014
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6MTQ
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![BU of 6mtq by Molmil](/molmil-images/mine/6mtq) | Crystal structure of VRC42.N1 Fab in complex with T117-F MPER scaffold | Descriptor: | Antibody VRC42.N1 Fab heavy chain, Antibody VRC42.N1 Fab light chain, VRC42 epitope T117-F scaffold | Authors: | Kwon, Y.D, Law, W.H, Veradi, R, Doria-Rose, N.A, Kwong, P.D. | Deposit date: | 2018-10-21 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual. Immunity, 50, 2019
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