2QXM
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![BU of 2qxm by Molmil](/molmil-images/mine/2qxm) | Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Burned Meat Compound PhIP | Descriptor: | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nettles, K.W, Bruning, J.B, Gil, G, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | Deposit date: | 2007-08-12 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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4KA0
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![BU of 4ka0 by Molmil](/molmil-images/mine/4ka0) | Crystal structure of a putative thiol-disulfide oxidoreductase from Bacteroides vulgatus (target NYSGRC-011676), space group P21221 | Descriptor: | CHLORIDE ION, Putative thiol-disulfide oxidoreductase | Authors: | Vetting, M.W, Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R.D, Bonanno, J.B, Armstrong, R.N, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-04-21 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a putative thiol-disulfide oxidoreductase from Bacteroides vulgatus (target NYSGRC-011676), space group P21221 To be Published
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4KR7
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![BU of 4kr7 by Molmil](/molmil-images/mine/4kr7) | Crystal structure of a 4-thiouridine synthetase - RNA complex with bound ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Probable tRNA sulfurtransferase, ... | Authors: | Neumann, P, Ficner, R, Lakomek, K. | Deposit date: | 2013-05-16 | Release date: | 2014-04-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.421 Å) | Cite: | Crystal structure of a 4-thiouridine synthetase-RNA complex reveals specificity of tRNA U8 modification. Nucleic Acids Res., 42, 2014
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2R4S
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![BU of 2r4s by Molmil](/molmil-images/mine/2r4s) | Crystal structure of the human beta2 adrenoceptor | Descriptor: | Beta-2 adrenergic receptor, antibody for beta2 adrenoceptor, heavy chain, ... | Authors: | Rasmussen, S.G.F, Choi, H.J, Rosenbaum, D.M, Kobilka, T.S, Thian, F.S, Edwards, P.C, Burghammer, M, Ratnala, V.R, Sanishvili, R, Fischetti, R.F, Schertler, G.F, Weis, W.I, Kobilka, B.K. | Deposit date: | 2007-08-31 | Release date: | 2007-11-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Crystal structure of the human beta2 adrenergic G-protein-coupled receptor. Nature, 450, 2007
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4M4X
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![BU of 4m4x by Molmil](/molmil-images/mine/4m4x) | |
4M18
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![BU of 4m18 by Molmil](/molmil-images/mine/4m18) | Crystal Structure of Surfactant Protein-D D325A/R343V mutant in complex with trimannose (Man-a1,2Man-a1,2Man) | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein D, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ... | Authors: | Goh, B.C, Rynkiewicz, M.J, Cafarella, T.R, White, M.R, Hartshorn, K.L, Allen, K, Crouch, E.C, Calin, O, Seeberger, P.H, Schulten, K, Seaton, B.A. | Deposit date: | 2013-08-02 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.203 Å) | Cite: | Molecular mechanisms of inhibition of influenza by surfactant protein d revealed by large-scale molecular dynamics simulation. Biochemistry, 52, 2013
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3H9V
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![BU of 3h9v by Molmil](/molmil-images/mine/3h9v) | Crystal structure of the ATP-gated P2X4 ion channel in the closed, apo state at 3.1 Angstroms | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GADOLINIUM ATOM, P2X purinoceptor | Authors: | Kawate, T, Michel, J.C, Gouaux, E. | Deposit date: | 2009-04-30 | Release date: | 2009-07-28 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the ATP-gated P2X(4) ion channel in the closed state. Nature, 460, 2009
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4KS5
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![BU of 4ks5 by Molmil](/molmil-images/mine/4ks5) | Influenza neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | Descriptor: | (3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | Authors: | Kerry, P.S, Russell, R.J.M. | Deposit date: | 2013-05-17 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.699 Å) | Cite: | Structural basis for a class of nanomolar influenza A neuraminidase inhibitors. Sci Rep, 3, 2013
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4KSQ
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![BU of 4ksq by Molmil](/molmil-images/mine/4ksq) | Crystal Structure of Human B-raf bound to a DFG-out Inhibitor 5B | Descriptor: | N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide, Serine/threonine-protein kinase B-raf | Authors: | Yano, J.K, Masanori, O. | Deposit date: | 2013-05-17 | Release date: | 2013-07-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Discovery of a Selective Kinase Inhibitor (TAK-632) Targeting Pan-RAF Inhibition: Design, Synthesis, and Biological Evaluation of C-7-Substituted 1,3-Benzothiazole Derivatives. J.Med.Chem., 56, 2013
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2QZT
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![BU of 2qzt by Molmil](/molmil-images/mine/2qzt) | |
4KBB
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![BU of 4kbb by Molmil](/molmil-images/mine/4kbb) | Structure of Botulinum neurotoxin B binding domain in complex with both synaptotagmin II and GD1a | Descriptor: | Botulinum neurotoxin type B, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Berntsson, R.P.A, Peng, L, Dong, M, Stenmark, P. | Deposit date: | 2013-04-23 | Release date: | 2013-07-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of dual receptor binding to botulinum neurotoxin B. Nat Commun, 4, 2013
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3QC5
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![BU of 3qc5 by Molmil](/molmil-images/mine/3qc5) | GspB | Descriptor: | GLYCEROL, NITROGEN MOLECULE, POTASSIUM ION, ... | Authors: | Pyburn, T.M, Iverson, T.M. | Deposit date: | 2011-01-15 | Release date: | 2011-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A Structural Model for Binding of the Serine-Rich Repeat Adhesin GspB to Host Carbohydrate Receptors. Plos Pathog., 7, 2011
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2QB1
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![BU of 2qb1 by Molmil](/molmil-images/mine/2qb1) | 2TEL crystallization module | Descriptor: | E80-TELSAM domain | Authors: | Nauli, S, Bowie, J.U. | Deposit date: | 2007-06-15 | Release date: | 2008-10-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Polymer-driven crystallization. Protein Sci., 16, 2007
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3HAP
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![BU of 3hap by Molmil](/molmil-images/mine/3hap) | Crystal structure of bacteriorhodopsin mutant L111A crystallized from bicelles | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Bacteriorhodopsin, DECANE, ... | Authors: | Joh, N.H, Yang, D, Bowie, J.U. | Deposit date: | 2009-05-02 | Release date: | 2009-09-22 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Similar energetic contributions of packing in the core of membrane and water-soluble proteins. J.Am.Chem.Soc., 131, 2009
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2R0Z
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![BU of 2r0z by Molmil](/molmil-images/mine/2r0z) | PFA1 FAB complexed with GripI peptide fragment | Descriptor: | GLYCEROL, GripI peptide fragment, IgG2a Fab fragment heavy chain, ... | Authors: | Gardberg, A.S, Dealwis, C. | Deposit date: | 2007-08-21 | Release date: | 2007-10-16 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.096 Å) | Cite: | Molecular basis for passive immunotherapy of Alzheimer's disease Proc.Natl.Acad.Sci.Usa, 104, 2007
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4KTO
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![BU of 4kto by Molmil](/molmil-images/mine/4kto) | Crystal Structure Of a Putative Isovaleryl-CoA dehydrogenase (PSI-NYSGRC-012251) from Sinorhizobium meliloti 1021 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, isovaleryl-CoA dehydrogenase | Authors: | Kumar, P.R, Ahmed, M, Attonito, J, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Glenn, A.S, Hammonds, J, Hillerich, B, Himmel, D, Love, J.D, Seidel, R, Stead, M, Toro, R, Wasserman, S.R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-05-20 | Release date: | 2013-06-19 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.137 Å) | Cite: | Crystal structure of a Putative Isovaleryl-CoA dehydrogenase from Sinorhizobium meliloti 1021 to be published
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3HAK
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![BU of 3hak by Molmil](/molmil-images/mine/3hak) | Human prion protein variant V129 | Descriptor: | Major prion protein | Authors: | Lee, S, Antony, L, Hartmann, R, Knaus, K.J, Surewicz, K, Surewicz, W.K, Yee, V.C. | Deposit date: | 2009-05-01 | Release date: | 2010-01-12 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conformational diversity in prion protein variants influences intermolecular beta-sheet formation. Embo J., 29, 2010
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2R20
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![BU of 2r20 by Molmil](/molmil-images/mine/2r20) | |
2E5L
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![BU of 2e5l by Molmil](/molmil-images/mine/2e5l) | A snapshot of the 30S ribosomal subunit capturing mRNA via the Shine- Dalgarno interaction | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Kaminishi, T, Wilson, D.N, Takemoto, C, Harms, J.M, Kawazoe, M, Schluenzen, F, Hanawa-Suetsugu, K, Shirouzu, M, Fucini, P, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-12-21 | Release date: | 2007-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A snapshot of the 30S ribosomal subunit capturing mRNA via the Shine-Dalgarno interaction Structure, 15, 2007
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3HB2
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![BU of 3hb2 by Molmil](/molmil-images/mine/3hb2) | PrtC methionine mutants: M226I | Descriptor: | CALCIUM ION, CHLORIDE ION, Secreted protease C, ... | Authors: | Oberholzer, A.E, Bumann, M, Hege, T, Russo, S, Baumann, U. | Deposit date: | 2009-05-04 | Release date: | 2009-08-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Metzincin's canonical methionine is responsible for the structural integrity of the zinc-binding site Biol.Chem., 390, 2009
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2R29
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![BU of 2r29 by Molmil](/molmil-images/mine/2r29) | Neutralization of dengue virus by a serotype cross-reactive antibody elucidated by cryoelectron microscopy and x-ray crystallography | Descriptor: | Envelope protein E, Heavy chain of Fab 1A1D-2, Light chain of Fab 1A1D-2 | Authors: | Lok, S.M, Kostyuchenko, V.K, Nybakken, G.E, Holdaway, H.A, Battisti, A.J, Sukupolvi-petty, S, Sedlak, D, Fremont, D.H, Chipman, P.R, Roehrig, J.T, Diamond, M.S, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2007-08-24 | Release date: | 2007-12-25 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Binding of a neutralizing antibody to dengue virus alters the arrangement of surface glycoproteins. Nat.Struct.Mol.Biol., 15, 2008
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4KE0
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![BU of 4ke0 by Molmil](/molmil-images/mine/4ke0) | Crystal structure of BACE1 in complex with hydroxyethylamine-macrocyclic inhibitor 13 | Descriptor: | (3S)-3-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one, Beta-secretase 1, GLYCEROL, ... | Authors: | Whittington, D.A, Long, A.M, Li, V. | Deposit date: | 2013-04-25 | Release date: | 2013-07-03 | Last modified: | 2013-07-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity. Bioorg.Med.Chem.Lett., 23, 2013
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2QCZ
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![BU of 2qcz by Molmil](/molmil-images/mine/2qcz) | Structure of N-terminal domain of E. Coli YaeT | Descriptor: | Outer membrane protein assembly factor yaeT | Authors: | Kim, S, Malinverni, J.C, Sliz, P, Silhavy, T.J, Harrison, S.C, Kahne, D. | Deposit date: | 2007-06-20 | Release date: | 2007-08-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and function of an essential component of the outer membrane protein assembly machine. Science, 317, 2007
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4M47
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![BU of 4m47 by Molmil](/molmil-images/mine/4m47) | structure of human DNA polymerase complexed with 8-BrG in the template base paired with incoming non-hydrolyzable GTP | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA polymerase beta, MAGNESIUM ION, ... | Authors: | Koag, M.C, Min, K, Monzingo, A.F, Lee, S. | Deposit date: | 2013-08-06 | Release date: | 2014-01-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural basis for promutagenicity of 8-halogenated Guanine. J.Biol.Chem., 289, 2014
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5RSG
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![BU of 5rsg by Molmil](/molmil-images/mine/5rsg) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000263392672 | Descriptor: | N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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