8Q1F
 
 | | D10N,P146A variant of beta-phosphoglucomutase from Lactococcus lactis in complex with native beta-glucose 1,6-bisphosphate intermediate | | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-glucopyranose, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Cruz-Navarrete, F.A, Baxter, N.J, Flinders, A.J, Buzoianu, A, Cliff, M.J, Baker, P.J, Waltho, J.P. | | Deposit date: | 2023-07-31 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Peri active site catalysis of proline isomerisation is the molecular basis of allomorphy in beta-phosphoglucomutase.
Commun Biol, 7, 2024
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2FF2
 | | Crystal structure of Trypanosoma vivax nucleoside hydrolase co-crystallized with ImmucillinH | | Descriptor: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, IAG-nucleoside hydrolase, ... | | Authors: | Versees, W, Barlow, J, Steyaert, J. | | Deposit date: | 2005-12-18 | | Release date: | 2006-05-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Transition-state Complex of the Purine-specific Nucleoside Hydrolase of T.vivax: Enzyme Conformational Changes and Implications for Catalysis.
J.Mol.Biol., 359, 2006
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3B7E
 | | Neuraminidase of A/Brevig Mission/1/1918 H1N1 strain in complex with zanamivir | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Xu, X, Zhu, X, Wilson, I.A. | | Deposit date: | 2007-10-30 | | Release date: | 2008-10-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural characterization of the 1918 influenza virus H1N1 neuraminidase
J.Virol., 82, 2008
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8Q1E
 | | D10N,P146A variant of beta-phosphoglucomutase from Lactococcus lactis in complex with fructose 1,6-bisphosphate | | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, Beta-phosphoglucomutase, ... | | Authors: | Cruz-Navarrete, F.A, Baxter, N.J, Flinders, A.J, Buzoianu, A, Cliff, M.J, Baker, P.J, Waltho, J.P. | | Deposit date: | 2023-07-31 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Peri active site catalysis of proline isomerisation is the molecular basis of allomorphy in beta-phosphoglucomutase.
Commun Biol, 7, 2024
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2F5U
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3VXO
 | | HLA-A24 in complex with HIV-1 Nef134-10(2F) | | Descriptor: | 10-mer peptide from Protein Nef, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A. | | Deposit date: | 2012-09-20 | | Release date: | 2013-10-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structure of TCR and antigen complexes at an immunodominant CTL epitope in HIV-1 infection
SCI REP, 3, 2013
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2FCX
 | | HIV-1 DIS kissing-loop in complex with neamine | | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, CHLORIDE ION, HIV-1 DIS RNA, ... | | Authors: | Ennifar, E, Paillart, J.C, Marquet, R, Dumas, P. | | Deposit date: | 2005-12-13 | | Release date: | 2006-05-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Targeting the dimerization initiation site of HIV-1 RNA with aminoglycosides: from crystal to cell.
Nucleic Acids Res., 34, 2006
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2PWR
 | | HIV-1 protease in complex with a carbamoyl decorated pyrrolidine-based inhibitor | | Descriptor: | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Boettcher, B, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | | Deposit date: | 2007-05-12 | | Release date: | 2008-04-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
J.Med.Chem., 51, 2008
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2PWY
 | | Crystal Structure of a m1A58 tRNA methyltransferase | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, tRNA (adenine-N(1)-)-methyltransferase | | Authors: | Barraud, P, Golinelli-Pimpaneau, B, Tisne, C. | | Deposit date: | 2007-05-14 | | Release date: | 2008-02-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of Thermus thermophilus tRNA m(1)A(58) Methyltransferase and Biophysical Characterization of Its Interaction with tRNA.
J.Mol.Biol., 377, 2008
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2FLG
 | | Solution structure of an EGF-LIKE domain from the Plasmodium falciparum merozoite surface protein 1 | | Descriptor: | Merozoite surface protein 1 | | Authors: | James, S, Moehle, K, Pluschke, G, Robinson, J. | | Deposit date: | 2006-01-06 | | Release date: | 2006-02-21 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | Synthesis, solution structure and immune recognition of an epidermal growth factor-like domain from Plasmodium falciparum merozoite surface protein-1.
Chembiochem, 7, 2006
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4L7G
 | | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE1) | | Descriptor: | (3aS,7aR)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4H-pyrano[4,3-d][1,3]oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE | | Authors: | Huestis, M.P, Liu, W, Volgraf, M, Purkey, H, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M. | | Deposit date: | 2013-06-13 | | Release date: | 2013-09-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
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3W8Q
 | | Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Nakae, S, Kitamura, M, Shirai, T, Tada, T. | | Deposit date: | 2013-03-20 | | Release date: | 2014-03-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of mitogen-activated protein kinase kinase 1 in the DFG-out conformation.
Acta Crystallogr.,Sect.F, 77, 2021
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3WE4
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6UXI
 | | Structure of serine hydroxymethyltransferase 8 from Glycine max cultivar Essex complexed with PLP-Glycine | | Descriptor: | 1,2-ETHANEDIOL, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase | | Authors: | Korasick, D.A, Tanner, J.J, Beamer, L.J. | | Deposit date: | 2019-11-07 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Impaired folate binding of serine hydroxymethyltransferase 8 from soybean underlies resistance to the soybean cyst nematode.
J.Biol.Chem., 295, 2020
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6CBU
 | | Crystal structure of C4S3: A computationally designed immunogen to target Carbohydrate-Occluded Epitopes on the HIV envelope | | Descriptor: | Acylphosphatase-1, SULFATE ION | | Authors: | Zhu, C, Ke, H.M, Swanstrom, R, Dokholyan, N.V. | | Deposit date: | 2018-02-05 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Rationally designed carbohydrate-occluded epitopes elicit HIV-1 Env-specific antibodies.
Nat Commun, 10, 2019
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2FMB
 | | EIAV PROTEASE COMPLEXED WITH AN INHIBITOR LP-130 | | Descriptor: | 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE, EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE | | Authors: | Kervinen, J, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A. | | Deposit date: | 1998-07-13 | | Release date: | 1999-01-13 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Toward a universal inhibitor of retroviral proteases: comparative analysis of the interactions of LP-130 complexed with proteases from HIV-1, FIV, and EIAV.
Protein Sci., 7, 1998
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8XGG
 | | Human Cx36/GJD2 gap junction channel in complex with 1-hexanol. | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction delta-2 protein, HEXAN-1-OL | | Authors: | Cho, H.J, Lee, H.H. | | Deposit date: | 2023-12-15 | | Release date: | 2024-11-06 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mefloquine-induced conformational shift in Cx36 N-terminal helix leading to channel closure mediated by lipid bilayer.
Nat Commun, 15, 2024
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6CQD
 | | Crystal structure of HPK1 in complex with ATP analogue (AMPPNP) | | Descriptor: | MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Wu, P, Lehoux, I, Franke, Y, Mortara, K, Wang, W. | | Deposit date: | 2018-03-14 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
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9IAC
 | | Structure of the Argonaute-associated Cas4 family protein 1 (ACE1) from Microcystis aeruginosa (MaACE1) | | Descriptor: | 1,2-ETHANEDIOL, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | | Authors: | Bobadilla Ugarte, P, Halter, S, Jinek, M, Swarts, D.C. | | Deposit date: | 2025-02-09 | | Release date: | 2025-04-23 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Cyanobacterial Argonautes and Cas4 family nucleases cooperate to interfere with invading DNA.
Mol.Cell, 85, 2025
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6UXJ
 | | Structure of serine hydroxymethyltransferase 8 from Glycine max cultivar Essex complexed with PLP-glycine and 5-formyltetrahydrofolate | | Descriptor: | 1,2-ETHANEDIOL, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ... | | Authors: | Korasick, D.A, Tanner, J.J, Beamer, L.J. | | Deposit date: | 2019-11-07 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Impaired folate binding of serine hydroxymethyltransferase 8 from soybean underlies resistance to the soybean cyst nematode.
J.Biol.Chem., 295, 2020
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2PWO
 | | Crystal Structure of HIV-1 CA146 A92E Psuedo Cell | | Descriptor: | CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol) | | Authors: | Kelly, B.N. | | Deposit date: | 2007-05-11 | | Release date: | 2007-09-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | 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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2FF0
 | | Solution Structure of Steroidogenic Factor 1 DNA Binding Domain Bound to its Target Sequence in the Inhibin alpha-subunit Promoter | | Descriptor: | CTGTGGCCCTGAGCC, GGCTCAGGGCCACAG, Steroidogenic factor 1, ... | | Authors: | Little, T.H, Zhang, Y, Matulis, C.K, Weck, J, Zhang, Z, Ramachandran, A, Mayo, K.E, Radhakrishnan, I. | | Deposit date: | 2005-12-17 | | Release date: | 2006-04-11 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Sequence-specific deoxyribonucleic Acid (DNA) recognition by steroidogenic factor 1: a helix at the carboxy terminus of the DNA binding domain is necessary for complex stability.
Mol.Endocrinol., 20, 2006
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3BEQ
 | | Neuraminidase of A/Brevig Mission/1/1918 H1N1 strain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | | Authors: | Xu, X, Zhu, X, Wilson, I.A. | | Deposit date: | 2007-11-19 | | Release date: | 2008-09-30 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structural characterization of the 1918 influenza virus H1N1 neuraminidase
J.Virol., 82, 2008
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8XER
 | | Cryo-EM structure of integrin ITGAV, ITGB3 and Cilengitide TFA complex, conformation 1 | | Descriptor: | 2-[(2~{R},5~{R},8~{S},11~{S})-11-(3-carbamimidamidopropyl)-7-methyl-3,6,9,12,15-pentakis(oxidanylidene)-5-(phenylmethyl)-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]ethanoic acid, Integrin alpha-V, Integrin beta-3 | | Authors: | Xi, Z. | | Deposit date: | 2023-12-12 | | Release date: | 2024-12-18 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM structure of integrin ITGAV, ITGB3 and Cilengitide TFA complex, conformation 1
To Be Published
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8XFG
 | | Cryo-EM structure of integrin ITGAV, ITGB3 and CYCLO (RGDFK) complex, conformation 1 | | Descriptor: | 2-[(2~{R},5~{R},8~{S},11~{S})-8-(4-azanylbutyl)-11-(3-carbamimidamidopropyl)-3,6,9,12,15-pentakis(oxidanylidene)-5-(phenylmethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]ethanoic acid, Integrin alpha-V, Integrin beta-3 | | Authors: | Xi, Z. | | Deposit date: | 2023-12-13 | | Release date: | 2024-12-18 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-EM structure of integrin ITGAV, ITGB3 and CYCLO (RGDFK) complex, conformation 1
To Be Published
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