2FW9
 
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2FX7
 | | Crystal structure of hiv-1 neutralizing human fab 4e10 in complex with a 16-residue peptide encompassing the 4e10 epitope on gp41 | | Descriptor: | Fab 4E10, Fragment of HIV glycoprotein (GP41), GLYCEROL | | Authors: | Cardoso, R.M.F, Brunel, F.M, Ferguson, S, Burton, D.R, Dawson, P.E, Wilson, I.A. | | Deposit date: | 2006-02-03 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural basis of enhanced binding of extended and helically constrained peptide epitopes of the broadly neutralizing HIV-1 antibody 4E10.
J.Mol.Biol., 365, 2007
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7REK
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2FWP
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2G0G
 | | Structure-based drug design of a novel family of PPAR partial agonists: virtual screening, x-ray crystallography and in vitro/in vivo biological activities | | Descriptor: | 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE, Peroxisome proliferator-activated receptor gamma | | Authors: | Lu, I.L, Peng, Y.H, Huang, C.F, Lin, Y.T, Hsu, J.T.A, Wu, S.Y. | | Deposit date: | 2006-02-13 | | Release date: | 2006-05-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Structure-Based Drug Design of a Novel Family of PPARgamma Partial Agonists: Virtual Screening, X-ray Crystallography, and in Vitro/in Vivo Biological Activities
J.Med.Chem., 49, 2006
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7RGR
 | | Lysozyme 056 from Deep neural language modeling | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Artificial protein L056, CHLORIDE ION | | Authors: | Fraser, J.S, Holton, J.M, Olmos Jr, J.L, Greene, E.R. | | Deposit date: | 2021-07-15 | | Release date: | 2021-07-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Large language models generate functional protein sequences across diverse families.
Nat.Biotechnol., 2023
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4TUH
 | | Bcl-xL in complex with inhibitor (Compound 10) | | Descriptor: | 1,2-ETHANEDIOL, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-{3-[4-(1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid, ACETATE ION, ... | | Authors: | Czabotar, P.E, Lessense, G, Smith, B.J, Colman, P.M. | | Deposit date: | 2014-06-24 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Guided Rescaffolding of Selective Antagonists of BCL-XL.
Acs Med.Chem.Lett., 5, 2014
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2G2Z
 | | Structure of E.coli FabD complexed with malonyl-CoA | | Descriptor: | COENZYME A, MALONIC ACID, Malonyl CoA-acyl carrier protein transacylase | | Authors: | Oefner, Christian | | Deposit date: | 2006-02-17 | | Release date: | 2006-06-27 | | Last modified: | 2015-04-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Mapping the active site of Escherichia coli malonyl-CoA-acyl carrier protein transacylase (FabD) by protein crystallography.
Acta Crystallogr.,Sect.D, 62, 2006
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2G0S
 | | Unphotolyzed CO-bound L29F Myoglobin, crystal 2 | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | | Deposit date: | 2006-02-13 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin.
Acta Crystallogr.,Sect.D, 62, 2006
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2G0Z
 | | Photolyzed CO L29F Myoglobin: 1ns | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | | Deposit date: | 2006-02-13 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin.
Acta Crystallogr.,Sect.D, 62, 2006
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2G13
 | | CsoS1A with sulfate ion | | Descriptor: | Major carboxysome shell protein 1A, SULFATE ION | | Authors: | Tsai, Y, Sawaya, M.R, Cannon, G.C, Williams, E.B, Kerfeld, C.A, Yeates, T.O. | | Deposit date: | 2006-02-13 | | Release date: | 2007-02-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structural Analysis of CsoS1A and the Protein Shell of the Halothiobacillus neapolitanus Carboxysome.
Plos Biol., 5, 2007
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6DCN
 | | Bcl-xL complex with Beclin 1 BH3 domain T108pThr | | Descriptor: | BCL-xl protein, Beclin-1 | | Authors: | Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D. | | Deposit date: | 2018-05-07 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.444 Å) | | Cite: | Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1.
Autophagy, 15, 2019
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2G9V
 | | The crystal structure of glycogen phosphorylase in complex with (3R,4R,5R)-5-hydroxymethylpiperidine-3,4-diol and phosphate | | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, Glycogen phosphorylase, muscle form, ... | | Authors: | Oikonomakos, N.G, Tiraidis, C, Leonidas, D.D, Zographos, S.E. | | Deposit date: | 2006-03-07 | | Release date: | 2007-01-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Iminosugars as potential inhibitors of glycogenolysis: structural insights into the molecular basis of glycogen phosphorylase inhibition.
J.Med.Chem., 49, 2006
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2GAX
 | | Structure of Protein of Unknown Function Atu0240 from Agrobacteriium tumerfaciencs str. C58 | | Descriptor: | PHOSPHATE ION, hypothetical protein Atu0240 | | Authors: | Binkowski, T.A, Evdokimova, E, Kudritska, M, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-03-09 | | Release date: | 2006-05-09 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Hypothetical protein Atu0240 from Agrobacteriium tumerfaciencs str. C58
TO BE PUBLISHED
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5KE2
 | | Crystal structure of SETDB1 Tudor domain in complex with inhibitor XST06472A | | Descriptor: | (3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ... | | Authors: | Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-09 | | Release date: | 2016-07-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal structure of SETDB1 Tudor domain in complex with inhibitor xst06472a
to be published
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2G9Q
 | | The crystal structure of the glycogen phosphorylase b- 1AB complex | | Descriptor: | 1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL, Glycogen phosphorylase, muscle form, ... | | Authors: | Oikonomakos, N.G, Tiraidis, C, Leonidas, D.D, Zographos, S.E, Kristiansen, M, Agius, L. | | Deposit date: | 2006-03-07 | | Release date: | 2007-01-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Iminosugars as potential inhibitors of glycogenolysis: structural insights into the molecular basis of glycogen phosphorylase inhibition.
J.Med.Chem., 49, 2006
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7RK0
 | | Crystal structure of Thermovibrio ammonificans THI4 | | Descriptor: | 2-[(E)-[(4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid, FE (III) ION, Thiamine thiazole synthase | | Authors: | Li, Q, Bruner, S.D. | | Deposit date: | 2021-07-21 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structure and function of aerotolerant, multiple-turnover THI4 thiazole synthases.
Biochem.J., 478, 2021
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2GD4
 | | Crystal Structure of the Antithrombin-S195A Factor Xa-Pentasaccharide Complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, ... | | Authors: | Johnson, D.J, Li, W, Adams, T.E, Huntington, J.A. | | Deposit date: | 2006-03-15 | | Release date: | 2006-05-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Antithrombin-S195A factor Xa-heparin structure reveals the allosteric mechanism of antithrombin activation.
Embo J., 25, 2006
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6DNQ
 | | HBZ77 in complex with KIX and c-Myb | | Descriptor: | 1,2-ETHANEDIOL, BZIP factor, CREB-binding protein, ... | | Authors: | Yang, K, Wright, P.E, Stanfield, R.L. | | Deposit date: | 2018-06-07 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural basis for cooperative regulation of KIX-mediated transcription pathways by the HTLV-1 HBZ activation domain.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7RAG
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2G0V
 | | Photolyzed CO L29F Myoglobin: 100ps | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | | Deposit date: | 2006-02-13 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin.
Acta Crystallogr.,Sect.D, 62, 2006
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5KN7
 | | Lipid A secondary acyltransferase LpxM from Acinetobacter baumannii | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, GLYCEROL, Lipid A biosynthesis lauroyl acyltransferase, ... | | Authors: | Dovala, D.L, Hu, Q, Metzger IV, L.E. | | Deposit date: | 2016-06-27 | | Release date: | 2016-09-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure-guided enzymology of the lipid A acyltransferase LpxM reveals a dual activity mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
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2G2L
 | | Crystal Structure of the Second PDZ Domain of SAP97 in Complex with a GluR-A C-terminal Peptide | | Descriptor: | 18-mer peptide from glutamate receptor, ionotropic, AMPA1, ... | | Authors: | Von Ossowski, I, Oksanen, E, Von Ossowski, L, Cai, C, Sundberg, M, Goldman, A, Keinanen, K. | | Deposit date: | 2006-02-16 | | Release date: | 2006-08-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of the second PDZ domain of SAP97 in complex with a GluR-A C-terminal peptide
Febs J., 273, 2006
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2G83
 | | Structure of activated G-alpha-i1 bound to a nucleotide-state-selective peptide: Minimal determinants for recognizing the active form of a G protein alpha subunit | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ... | | Authors: | Johnston, C.A, Ramer, J.K, Blaesius, R, Kuhlman, B, Arshavsky, V.Y, Siderovski, D.P. | | Deposit date: | 2006-03-01 | | Release date: | 2006-10-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Minimal Determinants for Binding Activated Galpha from the Structure of a Galpha(i1)-Peptide Dimer.
Biochemistry, 45, 2006
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5KPY
 | | Structure of a 5-hydroxytryptophan aptamer | | Descriptor: | 5-hydroxy-L-tryptophan, 5-hydroxytryptophan RNA aptamer, IRIDIUM HEXAMMINE ION, ... | | Authors: | Batey, R.T, Porter, E, Merck, M. | | Deposit date: | 2016-07-05 | | Release date: | 2017-01-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Recurrent RNA motifs as scaffolds for genetically encodable small-molecule biosensors.
Nat. Chem. Biol., 13, 2017
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