2I7D
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4DKQ
| Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with DMJ-I-228 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(1S,2S)-2-carbamimidamido-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide, ... | Authors: | Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. | Deposit date: | 2012-02-03 | Release date: | 2012-05-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.888 Å) | Cite: | Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors. J.Med.Chem., 55, 2012
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4DYN
| Crystal Structure of WSN/A Influenza Nucleoprotein with BMS-885838 Ligand Bound | Descriptor: | N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]pyridine-2-carboxamide, Nucleocapsid protein | Authors: | Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R. | Deposit date: | 2012-02-29 | Release date: | 2013-03-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | To be determined To be Published
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1VRS
| Crystal structure of the disulfide-linked complex between the N-terminal and C-terminal domain of the electron transfer catalyst DsbD | Descriptor: | Thiol:disulfide interchange protein dsbD | Authors: | Rozhkova, A, Stirnimann, C.U, Frei, P, Grauschopf, U, Brunisholz, R, Gruetter, M.G, Capitani, G, Glockshuber, R. | Deposit date: | 2005-06-17 | Release date: | 2005-07-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural basis and kinetics of inter- and intramolecular disulfide exchange in the redox catalyst DsbD Embo J., 23, 2004
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4DOL
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3EC2
| Crystal structure of the DnaC helicase loader | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA replication protein DnaC, MAGNESIUM ION | Authors: | Mott, M.L, Erzberger, J.P, Coons, M.M, Berger, J.M. | Deposit date: | 2008-08-28 | Release date: | 2008-11-25 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural synergy and molecular crosstalk between bacterial helicase loaders and replication initiators. Cell(Cambridge,Mass.), 135, 2008
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3ECC
| Crystal structure of the DnaC helicase loader in complex with ADP-BeF3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA replication protein DnaC, ... | Authors: | Mott, M.L, Erzberger, J.P, Coons, M.M, Berger, J. | Deposit date: | 2008-08-29 | Release date: | 2008-11-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural synergy and molecular crosstalk between bacterial helicase loaders and replication initiators. Cell(Cambridge,Mass.), 135, 2008
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4DW6
| Novel N-phenyl-phenoxyacetamide derivatives as potential EthR inhibitors and ethionamide boosters. Discovery and optimization using High-Throughput Synthesis. | Descriptor: | AMMONIUM ION, GLYCEROL, HTH-type transcriptional regulator EthR, ... | Authors: | Flipo, M, Willand, N, Lecat-Guillet, N, Hounsou, C, Desroses, M, Leroux, F, Lens, Z, Villeret, V, Wohlkonig, A, Wintjens, R, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, Baulard, A.R, Deprez, B. | Deposit date: | 2012-02-24 | Release date: | 2013-03-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis. J.Med.Chem., 55, 2012
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4WVP
| Crystal structure of an activity-based probe HNE complex | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BTN-3V3-NLB-OMT-OIC-3V2, ... | Authors: | Lechtenberg, B.C, Kasperkiewicz, P, Robinson, H.R, Drag, M, Riedl, S.J. | Deposit date: | 2014-11-06 | Release date: | 2015-02-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | The Elastase-PK101 Structure: Mechanism of an Ultrasensitive Activity-based Probe Revealed. Acs Chem.Biol., 10, 2015
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2H9N
| WDR5 in complex with monomethylated H3K4 peptide | Descriptor: | H3 histone, WD-repeat protein 5 | Authors: | Min, J.R, Schuetz, A, Allali-Hassani, A, Martin, F, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2006-06-10 | Release date: | 2006-08-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for molecular recognition and presentation of histone H3 By WDR5. Embo J., 25, 2006
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3E29
| X-Ray structure of the protein Q7WE92_BORBR from thioesterase superfamily. Northeast Structural Genomics Consortium Target BoR214A. | Descriptor: | uncharacterized protein Q7WE92_BORBR | Authors: | Kuzin, A.P, Chen, Y, Setharaman, J, Wang, D, Mao, L, Foote, E.L, Xiao, R, Nair, R, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-08-05 | Release date: | 2008-09-30 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-Ray structure of the protein Q7WE92_BORBR from thioesterase superfamily. Northeast Structural Genomics Consortium Target BoR214A. To be Published
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2HB5
| Crystal Structure of the Moloney Murine Leukemia Virus RNase H Domain | Descriptor: | MAGNESIUM ION, Reverse transcriptase/ribonuclease H, SULFATE ION | Authors: | Lim, D, Gregorio, G.G, Bingman, C.A, Martinez-Hackert, E, Hendrickson, W.A, Goff, S.P. | Deposit date: | 2006-06-13 | Release date: | 2006-08-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Crystal Structure of the Moloney Murine Leukemia Virus RNase H Domain. J.Virol., 80, 2006
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8H0Z
| Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-122 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | Deposit date: | 2022-09-30 | Release date: | 2022-11-09 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes. Life Sci Alliance, 6, 2023
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8BN1
| The structures of Ace2 in complex with bicyclic peptide inhibitor | Descriptor: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-4PH-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2, ... | Authors: | Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M. | Deposit date: | 2022-11-11 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2. J.Med.Chem., 66, 2023
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3EIH
| Crystal structure of S.cerevisiae Vps4 in the presence of ATPgammaS | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Gonciarz, M.D, Whitby, F.G, Eckert, D.M, Kieffer, C, Heroux, A, Sundquist, W.I, Hill, C.P. | Deposit date: | 2008-09-15 | Release date: | 2008-09-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Biochemical and structural studies of yeast vps4 oligomerization. J.Mol.Biol., 384, 2008
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8BJH
| chimera of the inactive ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, with the double mutation K3528M and K3535I, fused to a proline-Rich-Domain (PRD) and profilin, bound to Latrunculin B-ADP-Mg-actin | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | Authors: | Teixeira-Nunes, M, Renault, L, Retailleau, P. | Deposit date: | 2022-11-04 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin. Plos Pathog., 19, 2023
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4DFU
| Inhibition of an antibiotic resistance enzyme: crystal structure of aminoglycoside phosphotransferase APH(2")-ID/APH(2")-IVA in complex with kanamycin inhibited with quercetin | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, APH(2")-Id, CHLORIDE ION, ... | Authors: | Stogios, P.J, Minasov, G, Dong, A, Evdokimova, E, Egorova, E, Di Leo, R, Li, H, Shakya, T, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-01-24 | Release date: | 2012-02-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | A small molecule discrimination map of the antibiotic resistance kinome. Chem.Biol., 18, 2011
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8BJI
| chimera of ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo fused to a proline-Rich-Domain (PRD) and profilin, bound to ADP-Mg-actin and a sulfate ion | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | Authors: | Teixeira-Nunes, M, Renault, L, Retailleau, P. | Deposit date: | 2022-11-04 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin. Plos Pathog., 19, 2023
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8BR1
| ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, bound to Latrunculin-B-ATP-Mg-actin, and 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE and 2 Mg ions | Descriptor: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Teixeira-Nunes, M, Renault, L, Retailleau, P. | Deposit date: | 2022-11-22 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.044 Å) | Cite: | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin. Plos Pathog., 19, 2023
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4DIL
| Flavo Di-iron protein H90N mutant from Thermotoga maritima | Descriptor: | CHLORIDE ION, FLAVOPROTEIN, MU-OXO-DIIRON | Authors: | Fang, H, Caranto, J.D, Taylor, A.B, Hart, P.J, Kurtz, D.M. | Deposit date: | 2012-01-31 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Histidine ligand variants of a flavo-diiron protein: effects on structure and activities. J.Biol.Inorg.Chem., 17, 2012
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8BO1
| ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, bound to Latrunculin-B-ATP-Mg-actin, and 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE and 2 Mg ions | Descriptor: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AZIDE ION, ... | Authors: | Teixeira-Nunes, M, Renault, L, Retailleau, P. | Deposit date: | 2022-11-14 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin. Plos Pathog., 19, 2023
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2H6D
| Protein Kinase Domain of the Human 5'-AMP-activated protein kinase catalytic subunit alpha-2 (AMPK alpha-2 chain) | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | Authors: | Littler, D.R, Walker, J.R, Wybenga-Groot, L, Newman, E.M, Butler-Cole, C, Mackenzie, F, Finerty, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2006-05-31 | Release date: | 2006-06-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A conserved mechanism of autoinhibition for the AMPK kinase domain: ATP-binding site and catalytic loop refolding as a means of regulation. Acta Crystallogr.,Sect.F, 66, 2010
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4DJA
| Crystal structure of a prokaryotic (6-4) photolyase PhrB from Agrobacterium Tumefaciens with an Fe-S cluster and a 6,7-dimethyl-8-ribityllumazine antenna chromophore at 1.45A resolution | Descriptor: | 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Scheerer, P, Zhang, F, Oberpichler, I, Lamparter, T, Krauss, N. | Deposit date: | 2012-02-01 | Release date: | 2013-04-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of a prokaryotic (6-4) photolyase with an Fe-S cluster and a 6,7-dimethyl-8-ribityllumazine antenna chromophore. Proc.Natl.Acad.Sci.USA, 110, 2013
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2H6L
| X-Ray Crystal Structure of the Metal-containing Protein AF0104 from Archaeoglobus fulgidus. Northeast Structural Genomics Consortium Target GR103. | Descriptor: | ACETIC ACID, Hypothetical protein, ZINC ION | Authors: | Kuzin, A.P, Abashidze, M, Fang, Y, Chen, C, Cunningham, K, Conover, K, Ma, L.C, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-05-31 | Release date: | 2006-07-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Three dimensional structure of the hypothetical protein
AF0104 at the 2.0 A resolution. To be Published
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3DSK
| Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase variant (F137L) (At-AOS(F137L), Cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 1.55 A Resolution | Descriptor: | (9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid, Cytochrome P450 74A, chloroplast, ... | Authors: | Lee, D.S, Nioche, P, Raman, C.S. | Deposit date: | 2008-07-12 | Release date: | 2008-08-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes Nature, 455, 2008
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