PDB: 224004 resultsInfo pagesStatus searchChemie searchBIRD

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7P5B	Variant Surface Glycoprotein 3 (VSG3, MiTat1.3, VSG224) mutant (serine 319 to alanine), single O-linked glycosylated at Ser317 Descriptor: Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Authors: Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N. Deposit date: 2021-07-14 Release date: 2022-07-27 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.13 Å) Cite: Immunodominant surface epitopes power immune evasion in the African trypanosome. Cell Rep, 42, 2023
8XYZ	The structure of fox ACE2 and PT RBD complex Descriptor: Angiotensin-converting enzyme, Signal peptide, Spike protein S1, ... Authors: sun, J.Q. Deposit date: 2024-01-20 Release date: 2024-07-03 Last modified: 2024-07-24 Method: ELECTRON MICROSCOPY (2.96 Å) Cite: The binding and structural basis of fox ACE2 to RBDs from different sarbecoviruses. Virol Sin, 2024
9F3D	Single acyclic phosphonate nucleotide (S)-ZNA modification on DNA hairpin Descriptor: C modifed (S)-ZNA Authors: Li, X, Groaz, E, Herdewijn, P, Lescrinier, E. Deposit date: 2024-04-25 Release date: 2024-06-05 Last modified: 2024-07-10 Method: SOLUTION NMR Cite: Impact of Single Acyclic Phosphonate Nucleotide (ZNA) Modifications on DNA Duplex Stability. Chemistry, 30, 2024
8VMQ	Homing endonuclease I-PpoI-DNA complex:reaction at pH7.0 (K+ MES) with 500 uM Mg2+ for 20s Descriptor: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), GLYCEROL, Intron-encoded endonuclease I-PpoI, ... Authors: Chang, C, Gao, Y. Deposit date: 2024-01-13 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.48 Å) Cite: Homing endonuclease I-PpoI-DNA complex:reaction with 500 uM Mg2+ for 160s To Be Published
8VMO	Homing endonuclease I-PpoI-DNA complex:ground state at pH7.0 (K+ MES) with Na+ Descriptor: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), GLYCEROL, Intron-encoded endonuclease I-PpoI, ... Authors: Chang, C, Gao, Y. Deposit date: 2024-01-13 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Homing endonuclease I-PpoI-DNA complex:reaction with 500 uM Mg2+ for 160s To Be Published
8VMY	Homing endonuclease I-PpoI-DNA complex:reaction at pH6.0 (K+ MES) with 500 uM Mg2+ for 20s Descriptor: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), GLYCEROL, Intron-encoded endonuclease I-PpoI, ... Authors: Chang, C, Gao, Y. Deposit date: 2024-01-13 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Homing endonuclease I-PpoI-DNA complex:reaction with 500 uM Mg2+ for 160s To Be Published
8VN0	Homing endonuclease I-PpoI-DNA complex:reaction at pH6.0 (K+ MES) with 500 uM Mg2+ for 80s Descriptor: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), GLYCEROL, Intron-encoded endonuclease I-PpoI, ... Authors: Chang, C, Gao, Y. Deposit date: 2024-01-13 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Homing endonuclease I-PpoI-DNA complex:reaction with 500 uM Mg2+ for 160s To Be Published
9EXW	Crystal structure of the PWWP1 domain of NSD2 bound by compound 17. Descriptor: 1,2-ETHANEDIOL, 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2 Authors: Collie, G.W. Deposit date: 2024-04-09 Release date: 2024-05-29 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (2.43 Å) Cite: Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches. J.Med.Chem., 67, 2024
9B5P	Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - cluster 1 map and model (ATP/Mg) Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... Authors: Kochanczyk, T, Lima, C.D. Deposit date: 2024-03-22 Release date: 2024-06-05 Last modified: 2024-08-14 Method: ELECTRON MICROSCOPY (3.08 Å) Cite: Structural basis for transthiolation intermediates in the ubiquitin pathway Nature, 2024
9B5W	Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - Ub(T) class 1 map and model from cluster 5 (ATP/Mg) Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... Authors: Kochanczyk, T, Lima, C.D. Deposit date: 2024-03-22 Release date: 2024-06-05 Last modified: 2024-08-14 Method: ELECTRON MICROSCOPY (3.96 Å) Cite: Structural basis for transthiolation intermediates in the ubiquitin pathway Nature, 2024
8X22	HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:dGTP ternary complex Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ... Authors: Yasutake, Y, Hattori, S.I, Mitsuya, H. Deposit date: 2023-11-09 Release date: 2024-07-17 Method: X-RAY DIFFRACTION (2.31 Å) Cite: Deviated binding of anti-HBV nucleoside analog E-CFCP-TP to the reverse transcriptase active site attenuates the effect of drug-resistant mutations. Sci Rep, 14, 2024
7N4D	Translation initiation factor eif-5a family protein from Naegleria fowleri ATCC 30863 Descriptor: Eukaryotic translation initiation factor 5A Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2021-06-03 Release date: 2021-06-23 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Translation initiation factor eif-5a family protein from Naegleria fowleri ATCC 30863 to be published
9B5T	Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - cluster 5 map and model (ATP/Mg) Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... Authors: Kochanczyk, T, Lima, C.D. Deposit date: 2024-03-22 Release date: 2024-06-05 Last modified: 2024-08-14 Method: ELECTRON MICROSCOPY (3.16 Å) Cite: Structural basis for transthiolation intermediates in the ubiquitin pathway Nature, 2024
7N6S	Crystal Structure of deoxyuridine 5'-triphosphate nucleotidohydrolase from Rickettsia prowazekii str. Madrid E in complex with 2'-deoxyuridine 5'-monophoephate (dUMP) Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2021-06-09 Release date: 2021-06-23 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Crystal Structure of deoxyuridine 5'-triphosphate nucleotidohydrolase from Rickettsia prowazekii str. Madrid E in complex with 2'-deoxyuridine 5'-monophoephate (dUMP) to be published
7N7S	Crystal Structure of Hydroxymethylglutaryl-CoA reductase from Elizabethkingia anophelis NUHP1 Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Hydroxymethylglutaryl-CoA reductase, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2021-06-11 Release date: 2021-06-23 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal Structure of Hydroxymethylglutaryl-CoA reductase from Elizabethkingia anophelis NUHP1 To be published
7NOS	Crystal structure of Mycobacterium tuberculosis ArgF in complex with 4-bromo-6-(trifluoromethyl)-1H-benzo[d]imidazole. Descriptor: 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole, Ornithine carbamoyltransferase, PHOSPHATE ION Authors: Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. Deposit date: 2021-02-25 Release date: 2021-06-30 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.77 Å) Cite: A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
4YM8	Crystal structure of hen egg-white lysozyme Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION Authors: Sugahara, M, Nakane, T, Suzuki, M, Nango, E. Deposit date: 2015-03-06 Release date: 2015-12-23 Last modified: 2018-01-24 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal structure of hen egg-white lysozyme To Be Published
7NNF	Crystal structure of Mycobacterium tuberculosis ArgF in apo form. Descriptor: Ornithine carbamoyltransferase, PHOSPHATE ION Authors: Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. Deposit date: 2021-02-24 Release date: 2021-06-30 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.52 Å) Cite: A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
7OL2	Crystal structure of mouse contactin 1 immunoglobulin domains Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Contactin-1, ... Authors: Chataigner, L.M.P, Janssen, B.J.C. Deposit date: 2021-05-19 Release date: 2022-12-14 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3.89 Å) Cite: Structural insights into the contactin 1 - neurofascin 155 adhesion complex. Nat Commun, 13, 2022
7NOU	Crystal structure of Mycobacterium tuberculosis ArgF in complex with (3,5-dichlorophenyl)boronic acid. Descriptor: Ornithine carbamoyltransferase, PHOSPHATE ION, [3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron Authors: Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. Deposit date: 2021-02-25 Release date: 2021-06-30 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.98 Å) Cite: A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
6X2B	SARS-CoV-2 u1S2q 2-RBD Up Spike Protein Trimer Descriptor: Spike glycoprotein Authors: Henderson, R, Acharya, P. Deposit date: 2020-05-20 Release date: 2020-05-27 Last modified: 2021-08-04 Method: ELECTRON MICROSCOPY (3.6 Å) Cite: Controlling the SARS-CoV-2 spike glycoprotein conformation. Nat.Struct.Mol.Biol., 27, 2020
7NNY	Crystal structure of Mycobacterium tuberculosis ArgF in complex with naphthalen-1-ol. Descriptor: 1-NAPHTHOL, Ornithine carbamoyltransferase, PHOSPHATE ION Authors: Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. Deposit date: 2021-02-25 Release date: 2021-06-30 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.57 Å) Cite: A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
7NNZ	Crystal structure of Mycobacterium tuberculosis ArgF in complex with 5-methyl-4-phenylthiazol-2-amine. Descriptor: 5-methyl-4-phenyl-1,3-thiazol-2-amine, Ornithine carbamoyltransferase, PHOSPHATE ION Authors: Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. Deposit date: 2021-02-25 Release date: 2021-06-30 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.68 Å) Cite: A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
7NP0	Crystal structure of Mycobacterium tuberculosis ArgF in complex with (4-nitrophenyl)boronic acid. Descriptor: Ornithine carbamoyltransferase, PHOSPHATE ION, p-nitrophenylboronic acid Authors: Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. Deposit date: 2021-02-26 Release date: 2021-06-30 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.76 Å) Cite: A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
6WPB	NMR Structure of HSP1-NH2 antimicrobial peptide in presence of SDS-d25 micelles Descriptor: HSP1-NH2 Authors: Verly, R.M, Gomes, I.P. Deposit date: 2020-04-27 Release date: 2020-09-02 Last modified: 2020-09-16 Method: SOLUTION NMR Cite: Membrane interactions of the anuran antimicrobial peptide HSP1-NH2: Different aspects of the association to anionic and zwitterionic biomimetic systems. Biochim Biophys Acta Biomembr, 1863, 2020

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