1N4U
 
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2JPR
 | | Joint refinement of the HIV-1 CA-NTD in complex with the assembly inhibitor CAP-1 | | Descriptor: | 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea, Gag-Pol polyprotein | | Authors: | Kelly, B.N, Kyere, S, Kinde, I, Tang, C, Howard, B.R, Robinson, H, Sundquist, W.I, Summers, M.F, Hill, C.P. | | Deposit date: | 2007-05-22 | | Release date: | 2007-10-09 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of the Antiviral Assembly Inhibitor CAP-1 Complex with the HIV-1 CA Protein
J.Mol.Biol., 373, 2007
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2AVV
 | | Kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, and G73S | | Descriptor: | ACETIC ACID, CHLORIDE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, ... | | Authors: | Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | | Deposit date: | 2005-08-30 | | Release date: | 2006-01-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S.
J.Mol.Biol., 354, 2005
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5AIY
 | | R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 'RED' SUBSTATE, AVERAGE STRUCTURE | | Descriptor: | PHENOL, PROTEIN (INSULIN) | | Authors: | O'Donoghue, S.I, Chang, X, Abseher, R, Nilges, M, Led, J.J. | | Deposit date: | 1998-12-29 | | Release date: | 2000-02-28 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Unraveling the symmetry ambiguity in a hexamer: calculation of the R6 human insulin structure.
J.Biomol.NMR, 16, 2000
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1G4G
 | | NMR STRUCTURE OF THE FIFTH DOMAIN OF HUMAN BETA2-GLYCOPROTEIN I | | Descriptor: | BETA2-GLYCOPROTEIN I | | Authors: | Hoshino, M, Hagihara, Y, Nishii, I, Yamazaki, T, Kato, H, Goto, Y. | | Deposit date: | 2000-10-27 | | Release date: | 2000-11-15 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Identification of the phospholipid-binding site of human beta(2)-glycoprotein I domain V by heteronuclear magnetic resonance.
J.Mol.Biol., 304, 2000
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1N0X
 | | Crystal Structure of a Broadly Neutralizing Anti-HIV-1 Antibody in Complex with a Peptide Mimotope | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, B2.1 peptide, GLYCEROL, ... | | Authors: | Saphire, E.O, Montero, M, Menendez, A, Irving, M.B, Zwick, M.B, Parren, P.W.H.I, Burton, D.R, Scott, J.K, Wilson, I.A. | | Deposit date: | 2002-10-15 | | Release date: | 2004-04-13 | | Last modified: | 2017-06-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of a Broadly Neutralizing Anti-HIV-1 Antibody in Complex with a Peptide Mimotope
To be Published
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1PPT
 | | X-RAY ANALYSIS (1.4-ANGSTROMS RESOLUTION) OF AVIAN PANCREATIC POLYPEPTIDE. SMALL GLOBULAR PROTEIN HORMONE | | Descriptor: | AVIAN PANCREATIC POLYPEPTIDE, ZINC ION | | Authors: | Blundell, T.L, Pitts, J.E, Tickle, I.J, Wood, S.P. | | Deposit date: | 1981-01-16 | | Release date: | 1981-02-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | X-ray analysis (1. 4-A resolution) of avian pancreatic polypeptide: Small globular protein hormone.
Proc.Natl.Acad.Sci.Usa, 78, 1981
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5ACA
 | | Structure-based energetics of protein interfaces guide Foot-and-Mouth disease virus vaccine design | | Descriptor: | VP1, VP2, VP3, ... | | Authors: | Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, Perez-Martin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I. | | Deposit date: | 2015-08-14 | | Release date: | 2015-09-23 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure-Based Energetics of Protein Interfaces Guide Foot-and-Mouth Disease Vaccine Design
Nat.Struct.Mol.Biol., 22, 2015
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3PMH
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5A3B
 | | Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes in complex with ADP-ribose | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, ALANINE, ... | | Authors: | Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I. | | Deposit date: | 2015-05-28 | | Release date: | 2015-07-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens.
Mol.Cell, 59, 2015
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6GCJ
 | | Solution structure of the RodA hydrophobin from Aspergillus fumigatus | | Descriptor: | Hydrophobin | | Authors: | Pille, A, Kwan, A, Aimanianda, V, Latge, J.-P, Sunde, M, Guijarro, J.I. | | Deposit date: | 2018-04-18 | | Release date: | 2019-03-27 | | Last modified: | 2019-09-04 | | Method: | SOLUTION NMR | | Cite: | Assembly and disassembly of Aspergillus fumigatus conidial rodlets
Cell Surf, 2019
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1YN7
 | | Crystal structure of a mouse MHC class I protein, H2-Db, in complex with a mutated peptide (R7A) of the influenza A acid polymerase | | Descriptor: | 10-mer peptide from RNA-directed RNA polymerase subunit P2, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | Authors: | Turner, S.J, Kedzierska, K, Komodromou, H, La Gruta, N.L, Dunstone, M.A, Webb, A.I, Webby, R, Walden, H, Xie, W, McCluskey, J, Purcell, A.W, Rossjohn, J, Doherty, P.C. | | Deposit date: | 2005-01-24 | | Release date: | 2005-06-28 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Lack of prominent peptide-major histocompatibility complex features limits repertoire diversity in virus-specific CD8+ T cell populations
Nat.Immunol., 6, 2005
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1AB9
 | | CRYSTAL STRUCTURE OF BOVINE GAMMA-CHYMOTRYPSIN | | Descriptor: | GAMMA-CHYMOTRYPSIN, PENTAPEPTIDE (TPGVY), SULFATE ION | | Authors: | Sugio, S, Kashima, A, Inoue, Y, Maeda, I, Nose, T, Shimohigashi, Y. | | Deposit date: | 1997-02-05 | | Release date: | 1997-08-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray crystal structure of a dipeptide-chymotrypsin complex in an inhibitory interaction.
Eur.J.Biochem., 255, 1998
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7Z0W
 | | E. coli NfsA bound to NADP+ | | Descriptor: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, ... | | Authors: | White, S.A, Grainger, A, Parr, R, Day, M.A, Jarrom, D, Graziano, A, Searle, P.F, Hyde, E.I. | | Deposit date: | 2022-02-23 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | The 3D-structure, kinetics and dynamics of the E. coli nitroreductase NfsA with NADP + provide glimpses of its catalytic mechanism.
Febs Lett., 596, 2022
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2D24
 | | Crystal structure of ES complex of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86 | | Descriptor: | ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, SULFATE ION, ... | | Authors: | Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K. | | Deposit date: | 2005-09-02 | | Release date: | 2006-10-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86
J.Biochem., 146, 2009
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3Q4T
 | | Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with dorsomorphin | | Descriptor: | 1,2-ETHANEDIOL, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Activin receptor type-2A, ... | | Authors: | Chaikuad, A, Alfano, I, Mahajan, P, Cooper, C.D.O, Sanvitale, C, Vollmar, M, Krojer, T, Muniz, J.R.C, Raynor, J, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-12-24 | | Release date: | 2011-02-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Small Molecules Dorsomorphin and LDN-193189 Inhibit Myostatin/GDF8 Signaling and Promote Functional Myoblast Differentiation.
J.Biol.Chem., 290, 2015
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1T31
 | | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E, Pereira, P.J.B, Wang, Z.M, Rubin, H, Huber, R, Bode, W, Schechter, N.M, Strobl, S. | | Deposit date: | 2004-04-23 | | Release date: | 2005-03-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo.
J.Biol.Chem., 280, 2005
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2JX9
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5VP0
 | | Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders | | Descriptor: | MAGNESIUM ION, N-{(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, ZINC ION, ... | | Authors: | Hoffman, I.D. | | Deposit date: | 2017-05-03 | | Release date: | 2017-08-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Clinical Candidate N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915): A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders.
J. Med. Chem., 60, 2017
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1A8Z
 | | STRUCTURE DETERMINATION OF A 16.8KDA COPPER PROTEIN RUSTICYANIN AT 2.1A RESOLUTION USING ANOMALOUS SCATTERING DATA WITH DIRECT METHODS | | Descriptor: | COPPER (I) ION, RUSTICYANIN | | Authors: | Harvey, I, Hao, Q, Duke, E.M.H, Ingledew, W.J, Hasnain, S.S. | | Deposit date: | 1998-03-30 | | Release date: | 1998-06-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure determination of a 16.8 kDa copper protein at 2.1 A resolution using anomalous scattering data with direct methods.
Acta Crystallogr.,Sect.D, 54, 1998
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2JXA
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1BA9
 | | THE SOLUTION STRUCTURE OF REDUCED MONOMERIC SUPEROXIDE DISMUTASE, NMR, 36 STRUCTURES | | Descriptor: | COPPER (I) ION, SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Banci, L, Benedetto, M, Bertini, I, Del Conte, R, Piccioli, M, Viezzoli, M.S. | | Deposit date: | 1998-04-24 | | Release date: | 1998-09-16 | | Last modified: | 2021-11-03 | | Method: | SOLUTION NMR | | Cite: | Solution structure of reduced monomeric Q133M2 copper, zinc superoxide dismutase (SOD). Why is SOD a dimeric enzyme?.
Biochemistry, 37, 1998
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7ZCK
 | | Room temperature crystal structure of PhnD from Synechococcus MITS9220 in complex with phosphate | | Descriptor: | CHLORIDE ION, PHOSPHATE ION, Phosphonate ABC type transporter/ substrate binding component | | Authors: | Mikolajek, H, Shah, B.S, Paulsen, I.T, Sandy, J, Sanchez-Weatherby, J. | | Deposit date: | 2022-03-28 | | Release date: | 2022-05-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi.
Iucrj, 10, 2023
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1K5G
 | | Crystal structure of Ran-GDP-AlFx-RanBP1-RanGAP complex | | Descriptor: | ALUMINUM FLUORIDE, GTP-binding nuclear protein RAN, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Seewald, M.J, Koerner, C, Wittinghofer, A, Vetter, I.R. | | Deposit date: | 2001-10-10 | | Release date: | 2002-02-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | RanGAP mediates GTP hydrolysis without an arginine finger.
Nature, 415, 2002
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5OA6
 | | Crystal structure of ScGas2 in complex with compound 12 | | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ... | | Authors: | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | | Deposit date: | 2017-06-21 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
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