PDB: 105044 resultsInfo pagesStatus searchChemie searchBIRD

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4JJD	Crystal structure of the N114A Abl-SH3 domain mutant at pH4 Descriptor: DI(HYDROXYETHYL)ETHER, SODIUM ION, Tyrosine-protein kinase ABL1 Authors: Camara-Artigas, A, Martin-Garcia, J.M. Deposit date: 2013-03-07 Release date: 2014-03-12 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structure of the Abl-SH3 domain at pH5 To be Published
7R26	PI3K delta in complex with SD5 Descriptor: 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform Authors: Gutmann, S, Rummel, G, Shrestha, B. Deposit date: 2022-02-04 Release date: 2022-05-18 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor. J.Med.Chem., 65, 2022
6H8R	CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND 2 Descriptor: 3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 Authors: Hoerer, S, Fiegen, D, Schnapp, G. Deposit date: 2018-08-03 Release date: 2018-09-26 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.66 Å) Cite: Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule. J. Med. Chem., 62, 2019
7R2B	PI3Kdelta in complex with an inhibitor Descriptor: (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform Authors: Gutmann, S, Rummel, G, Shrestha, B. Deposit date: 2022-02-04 Release date: 2022-05-18 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor. J.Med.Chem., 65, 2022
5OP2	Structure of CHK1 10-pt. mutant complex with arylbenzamide LRRK2 inhibitor Descriptor: 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, CHLORIDE ION, Serine/threonine-protein kinase Chk1 Authors: Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. Deposit date: 2017-08-09 Release date: 2017-10-25 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J. Med. Chem., 60, 2017
5OQ8	Structure of CHK1 12-pt. mutant complex with arylbenzamide LRRK2 inhibitor Descriptor: 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, Serine/threonine-protein kinase Chk1 Authors: Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. Deposit date: 2017-08-10 Release date: 2017-10-25 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2 Å) Cite: Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J. Med. Chem., 60, 2017
8TE7	Structure of TRNM-f.01 Descriptor: TRNM-f.01 Fab Heavy Chain, TRNM-f.01 Fab Light Chain Authors: Bender, M.F, Olia, A.S, Kwong, P.D. Deposit date: 2023-07-05 Release date: 2024-07-10 Last modified: 2025-01-15 Method: X-RAY DIFFRACTION (3.18 Å) Cite: Potent and broad HIV-1 neutralization in fusion peptide-primed SHIV-infected macaques. Cell, 187, 2024
1ZE3	Crystal Structure of the Ternary Complex of FIMD (N-Terminal Domain) with FIMC and the Pilin Domain of FIMH Descriptor: 1,2-ETHANEDIOL, Chaperone protein fimC, FimH protein, ... Authors: Nishiyama, M, Horst, R, Eidam, O, Herrmann, T, Ignatov, O, Vetsch, M, Bettendorff, P, Jelesarov, I, Grutter, M.G, Wuthrich, K, Glockshuber, R, Capitani, G. Deposit date: 2005-04-17 Release date: 2005-06-14 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Structural basis of chaperone-subunit complex recognition by the type 1 pilus assembly platform FimD. Embo J., 24, 2005
8TJR	CRYO-EM STRUCTURE OF HIV-1 BG505DS-SOSIP.664 ENV TRIMER BOUND TO HERH-a.01 FAB Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody HERH-a.01 Heavy Chain, ... Authors: Morano, N.C, Hoyt, F, Hansen, B, Fischer, E, Shapiro, L. Deposit date: 2023-07-24 Release date: 2024-07-31 Last modified: 2025-02-19 Method: ELECTRON MICROSCOPY (3.29 Å) Cite: Potent and broad HIV-1 neutralization in fusion peptide-primed SHIV-infected macaques. Cell, 187, 2024
8TJS	CRYO-EM STRUCTURE OF HIV-1 BG505DS-SOSIP.664 ENV TRIMER BOUND TO GPZ6-a.01 FAB Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody GPZ6-a.01 Heavy Chain, ... Authors: Morano, N.C, Becker, J.E, Shapiro, L. Deposit date: 2023-07-24 Release date: 2024-07-31 Last modified: 2025-01-15 Method: ELECTRON MICROSCOPY (3.31 Å) Cite: Potent and broad HIV-1 neutralization in fusion peptide-primed SHIV-infected macaques. Cell, 187, 2024
8TNU	Cryo-EM structure of TRNM-b*01 Fab in complex with HIV-1 Env trimer BG505.DS SOSIP Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 DS-SOSIP Surface protein gp120, ... Authors: Roark, R.S, Morano, N.C, Shapiro, L.S, Kwong, P.D. Deposit date: 2023-08-02 Release date: 2024-08-07 Last modified: 2025-01-15 Method: ELECTRON MICROSCOPY (3.36 Å) Cite: Potent and broad HIV-1 neutralization in fusion peptide-primed SHIV-infected macaques. Cell, 187, 2024
8TOP	Cryo-EM structure of HIV-1 Env BG505 DS-SOSIP in complex with antibody GPZ6-b.01 targeting the fusion peptide Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 BG505 DS-SOSIP glycoprotein gp41, ... Authors: Zhou, T, Morano, N.C, Roark, R.S, Kwong, P.D. Deposit date: 2023-08-03 Release date: 2024-08-07 Last modified: 2025-01-15 Method: ELECTRON MICROSCOPY (3.52 Å) Cite: Potent and broad HIV-1 neutralization in fusion peptide-primed SHIV-infected macaques. Cell, 187, 2024
1W79	Crystal structure of the DD-transpeptidase-carboxypeptidase from Actinomadura R39 Descriptor: D-alanyl-D-alanine carboxypeptidase, MAGNESIUM ION, SULFATE ION Authors: Sauvage, E, Herman, R, Petrella, S, Duez, C, Frere, J.M, Charlier, P. Deposit date: 2004-08-31 Release date: 2005-06-28 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of the Actinomadura R39 DD-peptidase reveals new domains in penicillin-binding proteins. J. Biol. Chem., 280, 2005
8TO7	Cryo-EM structure of HERH-b*01 Fab in complex with HIV-1 Env trimer BG505.DS SOSIP Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HERH-b*01 heavy chain, ... Authors: Roark, R.S, Hoyt, F, Hansen, B, Fischer, E, Shapiro, L.S, Kwong, P.D. Deposit date: 2023-08-03 Release date: 2024-08-07 Last modified: 2025-05-21 Method: ELECTRON MICROSCOPY (3.39 Å) Cite: Potent and broad HIV-1 neutralization in fusion peptide-primed SHIV-infected macaques. Cell, 187, 2024
8TL2	CRYO-EM STRUCTURE OF HIV-1 BG505DS-SOSIP.664 ENV TRIMER BOUND TO DJ85-c.01 FAB Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 DS-SOSIP Surface protein gp120, ... Authors: Pletnev, S, Hoyt, F, Fischer, E, Kwong, P. Deposit date: 2023-07-26 Release date: 2024-08-28 Last modified: 2025-01-15 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Potent and broad HIV-1 neutralization in fusion peptide-primed SHIV-infected macaques. Cell, 187, 2024
8TL3	CRYO-EM STRUCTURE OF HIV-1 BG505DS-SOSIP.664 ENV TRIMER BOUND TO DJ85-d.01 FAB Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 DS-SOSIP glycoprotein gp120, ... Authors: Pletnev, S, Hoyt, F, Fischer, E, Kwong, P. Deposit date: 2023-07-26 Release date: 2024-08-28 Last modified: 2025-01-15 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Potent and broad HIV-1 neutralization in fusion peptide-primed SHIV-infected macaques. Cell, 187, 2024
8TL5	CRYO-EM STRUCTURE OF HIV-1 BG505DS-SOSIP.664 ENV TRIMER BOUND TO HERH-c.01 FAB Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 DS-SOSIP Surface protein gp120, ... Authors: Pletnev, S, Hoyt, F, Fischer, E, Kwong, P. Deposit date: 2023-07-26 Release date: 2024-08-28 Last modified: 2025-01-15 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Potent and broad HIV-1 neutralization in fusion peptide-primed SHIV-infected macaques. Cell, 187, 2024
6I29	X-ray structure of the p53-MDM2 inhibitor NMI801 bound to HDM2 at 2.1A resolution Descriptor: 6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]pyridin-3-yl]-1~{H}-indole-2-carboxamide, Human E3 Ubiquitin-Protein Ligase MDM2 Authors: Kallen, J. Deposit date: 2018-11-01 Release date: 2019-11-20 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.1 Å) Cite: p53 dynamics vary between tissues and are linked with radiation sensitivity To be published
8TKC	CRYO-EM STRUCTURE OF HIV-1 BG505DS-SOSIP.664 ENV TRIMER BOUND TO DJ85-b.01 FAB Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 DS-SOSIP Surface protein gp120, ... Authors: Pletnev, S, Hoyt, F, Fischer, E, Kwong, P. Deposit date: 2023-07-25 Release date: 2024-08-28 Last modified: 2025-01-15 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Potent and broad HIV-1 neutralization in fusion peptide-primed SHIV-infected macaques. Cell, 187, 2024
8TL4	CRYO-EM STRUCTURE OF HIV-1 BG505DS-SOSIP.664 ENV TRIMER BOUND TO DJ85-e.01 FAB Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 DS-SOSIP Surface protein gp120, ... Authors: Pletnev, S, Hoyt, F, Fischer, E, Kwong, P. Deposit date: 2023-07-26 Release date: 2024-08-28 Last modified: 2025-01-15 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Potent and broad HIV-1 neutralization in fusion peptide-primed SHIV-infected macaques. Cell, 187, 2024
5O2E	Crystal structure of NDM-1 in complex with hydrolyzed cefuroxime - new refinement Descriptor: (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... Authors: Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. Deposit date: 2017-05-20 Release date: 2018-12-26 Last modified: 2025-01-29 Method: X-RAY DIFFRACTION (1.3 Å) Cite: A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
6QVP	Crystal structure of the peptidoglycan-binding domain of SiiA from Salmonella enterica Descriptor: Inner membrane protein, PHOSPHATE ION Authors: Kirchweger, P, Muller, Y.A. Deposit date: 2019-03-04 Release date: 2019-08-28 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural and functional characterization of SiiA, an auxiliary protein from the SPI4-encoded type 1 secretion system from Salmonella enterica. Mol.Microbiol., 112, 2019
1HYN	CRYSTAL STRUCTURE OF THE CYTOPLASMIC DOMAIN OF HUMAN ERYTHROCYTE BAND-3 PROTEIN Descriptor: BAND 3 ANION TRANSPORT PROTEIN Authors: Zhang, D, Kiyatkin, A, Bolin, J.T, Low, P.S. Deposit date: 2001-01-20 Release date: 2001-05-16 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Crystallographic structure and functional interpretation of the cytoplasmic domain of erythrocyte membrane band 3. Blood, 96, 2000
8TTQ	Cryo-EM structure of the inner MKLN1 dimer from an autoinhibited MKLN1 tetramer Descriptor: Muskelin Authors: Chana, C.K, Keszei, A.F.A, Sicheri, F. Deposit date: 2023-08-14 Release date: 2024-09-11 Method: ELECTRON MICROSCOPY (3.27 Å) Cite: FAM72A degrades UNG2 through the GID/CTLH complex to promote mutagenic repair during antibody maturation. Nat Commun, 15, 2024
7Y4K	Crystal structure of Ricin A chain bound with N2-(2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)glycyl-L-phenylalanyl-N6-((benzyloxy)carbonyl)-L-ornitine Descriptor: (2S)-2-[[(2S)-2-[2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoic acid, Ricin A chain, SULFATE ION Authors: Katakura, S, Goto, M, Ohba, T, Kawata, R, Nagatsu, K, Higashi, S, Matsumoto, K, Kurisu, K, Ohtsuka, K, Saito, R. Deposit date: 2022-06-15 Release date: 2022-11-16 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Pterin-based small molecule inhibitor capable of binding to the secondary pocket in the active site of ricin-toxin A chain. Plos One, 17, 2022

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