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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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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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6BF4
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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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