8H6P
 
 | | Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor | | Descriptor: | (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Ren, X. | | Deposit date: | 2022-10-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
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8H2J
 | | Structure of Acb2 complexed with 3',3'-cGAMP | | Descriptor: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, p26 | | Authors: | Feng, Y, Cao, X.L. | | Deposit date: | 2022-10-06 | | Release date: | 2023-02-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Bacteriophages inhibit and evade cGAS-like immune function in bacteria.
Cell, 186, 2023
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2RHK
 | | Crystal structure of influenza A NS1A protein in complex with F2F3 fragment of human cellular factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cleavage and polyadenylation specificity factor subunit 4, NITRATE ION, ... | | Authors: | Das, K, Ma, L.-C, Xiao, R, Radvansky, B, Aramini, J, Zhao, L, Arnold, E, Krug, R.M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-10-09 | | Release date: | 2008-07-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for suppression of a host antiviral response by influenza A virus.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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6JHO
 | | The complex crystal structure of Cagbeta with CagZ revealed a novel regulatory mechanism for T4SS coupling ATPase in Helicobacter pylori | | Descriptor: | Cag pathogenicity island protein (Cag5), Cag pathogenicity island protein (Cag6) | | Authors: | Wu, X, Zhao, Y, Sun, L, Ye, X, Jiang, M, Wang, Q, Wang, Q, Wu, Y. | | Deposit date: | 2019-02-18 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The complex crystal structure of Cagbeta with CagZ revealed a novel regulatory mechanism in VirD4 coupling ATPase
To Be Published
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2BSS
 | | Crystal structures and KIR3DL1 recognition of three immunodominant viral peptides complexed to HLA-B2705 | | Descriptor: | BETA-2-MICROGLOBULIN, HIV PEPTIDE, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN B-27 ALPHA CHAIN | | Authors: | Stewart-Jones, G.B.E, Di Gleria, K, Kollnberger, S, Mcmichael, A.J, Jones, E.Y, Bowness, P. | | Deposit date: | 2005-05-23 | | Release date: | 2005-05-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures and Kir3Dl1 Recognition of Three Immunodominant Viral Peptides Complexed to Hla-B2705
Eur.J.Immunol., 35, 2005
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2RMX
 | | Solution structure of the SHP-1 C-terminal SH2 domain complexed with a tyrosine-phosphorylated peptide from NKG2A | | Descriptor: | NKG2-A/NKG2-B type II integral membrane protein, Tyrosine-protein phosphatase non-receptor type 6 | | Authors: | Kasai, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-11-30 | | Release date: | 2008-12-02 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Structural basis for the recognition of the two NKG2A immunoreceptor tyrosine-based inhibitory motifs (ITIMs) by the C-terminal SH2 domain of protein tyrosine phosphatase SHP-1
To be Published
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2RNO
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2RHX
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2TPT
 | | STRUCTURAL AND THEORETICAL STUDIES SUGGEST DOMAIN MOVEMENT PRODUCES AN ACTIVE CONFORMATION OF THYMIDINE PHOSPHORYLASE | | Descriptor: | SULFATE ION, THYMIDINE PHOSPHORYLASE | | Authors: | Pugmire, M.J, Cook, W.J, Jasanoff, A, Walter, M.R, Ealick, S.E. | | Deposit date: | 1997-11-24 | | Release date: | 1999-03-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and theoretical studies suggest domain movement produces an active conformation of thymidine phosphorylase.
J.Mol.Biol., 281, 1998
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8SFA
 | | Crystal structure of the engineered SsoPox variant IIIC1 | | Descriptor: | Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION | | Authors: | Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H. | | Deposit date: | 2023-04-10 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
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2ROB
 | | Solution structure of calcium bound soybean calmodulin isoform 4 C-terminal domain | | Descriptor: | CALCIUM ION, Calmodulin | | Authors: | Ishida, H, Huang, H, Yamniuk, A.P, Takaya, Y, Vogel, H.J. | | Deposit date: | 2008-03-14 | | Release date: | 2008-04-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | The solution structures of two soybean calmodulin isoforms provide a structural basis for their selective target activation properties
J.Biol.Chem., 283, 2008
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2C2A
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2RPB
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8SF2
 | | Crystal structure of the engineered SsoPox variant IG7 | | Descriptor: | Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ... | | Authors: | Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H. | | Deposit date: | 2023-04-10 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
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2RQ4
 | | Refinement of RNA binding domain 3 in CUG triplet repeat RNA-binding protein 1 | | Descriptor: | CUG-BP- and ETR-3-like factor 1 | | Authors: | Tsuda, K, Kuwasako, K, Takahashi, M, Someya, T, Inoue, M, Terada, T, Kobayashi, N, Shirouzu, M, Kigawa, T, Guntert, P, Muto, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2009-01-19 | | Release date: | 2009-08-04 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structural basis for the sequence-specific RNA-recognition mechanism of human CUG-BP1 RRM3
Nucleic Acids Res., 2009
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2RTD
 | | STREPTAVIDIN-BIOTIN COMPLEX, PH 1.39, SPACE GROUP I222 | | Descriptor: | BIOTIN, STREPTAVIDIN | | Authors: | Katz, B.A. | | Deposit date: | 1997-09-11 | | Release date: | 1998-10-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH.
J.Mol.Biol., 274, 1997
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2RTR
 | | STREPTAVIDIN-2-IMINOBIOTIN COMPLEX, PH 4.0, SPACE GROUP I222 | | Descriptor: | 2-IMINOBIOTIN, STREPTAVIDIN | | Authors: | Katz, B.A. | | Deposit date: | 1997-09-11 | | Release date: | 1998-10-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH.
J.Mol.Biol., 274, 1997
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8RX9
 | | LTA4 hydrolase in complex with compound3 | | Descriptor: | 1-[[5-[5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxypyridin-2-yl]methyl]piperidin-4-ol, ACETATE ION, IMIDAZOLE, ... | | Authors: | Srinivas, H. | | Deposit date: | 2024-02-06 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Guided Elaboration of a Fragment-Like Hit into an Orally Efficacious Leukotriene A4 Hydrolase Inhibitor.
J.Med.Chem., 67, 2024
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8H3D
 | | Structure of apo SARS-CoV-2 spike protein with one RBD up | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | | Authors: | Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N. | | Deposit date: | 2022-10-08 | | Release date: | 2023-03-22 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein.
Acs Cent.Sci., 9, 2023
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6JKB
 | | Crystal structure of metallo-beta-lactamse, NDM-1, in complex with hydrolyzed ampicillin | | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION | | Authors: | Kamo, T, Kuroda, K, Kondo, S, Hayashi, U, Fudo, S, Nukaga, M, Hoshino, T. | | Deposit date: | 2019-02-28 | | Release date: | 2020-03-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.444 Å) | | Cite: | Identification of the Inhibitory Compounds for Metallo-beta-lactamases and Structural Analysis of the Binding Modes.
Chem Pharm Bull (Tokyo), 69, 2021
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2RQQ
 | | Structure of C-terminal region of Cdt1 | | Descriptor: | DNA replication factor Cdt1 | | Authors: | Jee, J.G, Mizuno, T, Kamada, K, Tochio, H, Hiroaki, H, Hanaoka, F, Shirakawa, M. | | Deposit date: | 2009-10-14 | | Release date: | 2010-03-23 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure and mutagenesis studies of the C-terminal region of licensing factor Cdt1 enable the identification of key residues for binding to replicative helicase Mcm proteins
J.Biol.Chem., 285, 2010
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2RSG
 | | Solution structure of the CERT PH domain | | Descriptor: | Collagen type IV alpha-3-binding protein | | Authors: | Sugiki, T, Takeuchi, K, Tokunaga, Y, Kumagai, K, Kawano, M, Nishijima, M, Hanada, K, Takahashi, H, Shimada, I. | | Deposit date: | 2012-02-25 | | Release date: | 2012-08-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural basis for the Golgi association by the pleckstrin homology domain of the ceramide trafficking protein (CERT)
J.Biol.Chem., 287, 2012
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8H3E
 | | Complex structure of a small molecule (SPC-14) bound SARS-CoV-2 spike protein, closed state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid, Spike glycoprotein,Fibritin | | Authors: | Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N. | | Deposit date: | 2022-10-08 | | Release date: | 2023-03-22 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein.
Acs Cent.Sci., 9, 2023
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2RU8
 | | DnaT C-terminal domain | | Descriptor: | Primosomal protein 1 | | Authors: | Abe, Y, Tani, J, Fujiyama, S, Urabe, M, Sato, K, Aramaki, T, Katayama, T, Ueda, T. | | Deposit date: | 2014-01-29 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure and mechanism of the primosome protein DnaT-functional structures for homotrimerization, dissociation of ssDNA from the PriB·ssDNA complex, and formation of the DnaT·ssDNA complex.
Febs J., 281, 2014
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6JKU
 | | Crystal structure of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella Multocida | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-acetylglucosamine-6-phosphate deacetylase, ... | | Authors: | Manjunath, L, Bose, S, Subramanian, R. | | Deposit date: | 2019-03-01 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Quaternary variations in the structural assembly of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella multocida.
Proteins, 2020
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