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1V07
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BU of 1v07 by Molmil
CRYSTAL STRUCTURE OF ThrE11Val mutant of THE NERVE TISSUE MINI-HEMOGLOBIN FROM THE NEMERTEAN WORM CEREBRATULUS LACTEUS
Descriptor: NEURAL HEMOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Pesce, A, Nardini, M, Ascenzi, P, Geuens, E, Dewilde, S, Moens, L, Bolognesi, M, Riggs, A, Hale, A, Deng, P, Nienhaus, G.U, Olson, J.S, Nienhaus, K.
Deposit date:2004-03-24
Release date:2004-06-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Thr-E11 Regulates O2 Affinity in Cerebratulus Lacteus Mini-Hemoglobin
J.Biol.Chem., 279, 2004
5A6X
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BU of 5a6x by Molmil
Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with alpha-methyl-fucoside
Descriptor: CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, methyl alpha-L-fucopyranoside
Authors:Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A.
Deposit date:2015-07-02
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The virulence factor LecB varies in clinical isolates: consequences for ligand binding and drug discovery.
Chem Sci, 7, 2016
5A6Y
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BU of 5a6y by Molmil
Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with mannose-alpha1,3mannoside
Descriptor: CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, GLYCEROL, ...
Authors:Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A.
Deposit date:2015-07-02
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The virulence factor LecB varies in clinical isolates: consequences for ligand binding and drug discovery.
Chem Sci, 7, 2016
5A6Q
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BU of 5a6q by Molmil
Native structure of the LecB lectin from Pseudomonas aeruginosa strain PA14
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, ...
Authors:Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A.
Deposit date:2015-06-30
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The virulence factor LecB varies in clinical isolates: consequences for ligand binding and drug discovery.
Chem Sci, 7, 2016
5A6Z
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BU of 5a6z by Molmil
Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with lewis a
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, LECB, ...
Authors:Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A.
Deposit date:2015-07-02
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The virulence factor LecB varies in clinical isolates: consequences for ligand binding and drug discovery.
Chem Sci, 7, 2016
5UFJ
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BU of 5ufj by Molmil
Crystal Structure of Carbonmonoxy Hemoglobin S (Liganded Sickle Cell Hemoglobin) Complexed with GBT Compound 6
Descriptor: 5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B.
Deposit date:2017-01-04
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin.
ACS Med Chem Lett, 8, 2017
5A70
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BU of 5a70 by Molmil
Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with lewis x tetrasaccharide
Descriptor: CALCIUM ION, LECB, SULFATE ION, ...
Authors:Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A.
Deposit date:2015-07-02
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Induction of rare conformation of oligosaccharide by binding to calcium-dependent bacterial lectin: X-ray crystallography and modelling study.
Eur.J.Med.Chem., 177, 2019
5U3I
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BU of 5u3i by Molmil
CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT compound 31
Descriptor: 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B.
Deposit date:2016-12-02
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin.
ACS Med Chem Lett, 8, 2017
5ZHE
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BU of 5zhe by Molmil
STRUCTURE OF E. COLI UNDECAPRENYL DIPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-981
Descriptor: 2-hydroxy-6-(tetradecyloxy)benzoic acid, Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)
Authors:Gao, J, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T.
Deposit date:2018-03-13
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis.
J.Med.Chem., 62, 2019
5ZE6
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BU of 5ze6 by Molmil
CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH BPH-981
Descriptor: 2-hydroxy-6-(tetradecyloxy)benzoic acid, MAGNESIUM ION, Octaprenyl diphosphate synthase
Authors:Han, X, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T.
Deposit date:2018-02-26
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis.
J.Med.Chem., 62, 2019
5ZLF
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BU of 5zlf by Molmil
CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH ligand BPH-629
Descriptor: MAGNESIUM ION, Octaprenyl diphosphate synthase, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
Authors:Han, X, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T.
Deposit date:2018-03-27
Release date:2019-03-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.845 Å)
Cite:Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis.
J.Med.Chem., 62, 2019
5E83
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BU of 5e83 by Molmil
CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT440, CO-CRYSTALLIZATION EXPERIMENT
Descriptor: 2-methyl-3-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol, CARBON MONOXIDE, GLYCEROL, ...
Authors:Patskovska, L, Patskovsky, Y, Bonanno, J.B, Almo, S.C.
Deposit date:2015-10-13
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:GBT440 increases haemoglobin oxygen affinity, reduces sickling and prolongs RBC half-life in a murine model of sickle cell disease.
Br.J.Haematol., 175, 2016
8FRT
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BU of 8frt by Molmil
X-ray crystal structure of the N-terminal region from HCMV US11 binding to HLA-A*02:01
Descriptor: GLYCEROL, Unique short US11 glycoprotein, Beta-2-microglobulin, ...
Authors:Watson, G.M, Berry, R, Rossjohn, J.
Deposit date:2023-01-08
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Diverse cytomegalovirus US11 antagonism and MHC-A evasion strategies reveal a tit-for-tat coevolutionary arms race in hominids.
Proc.Natl.Acad.Sci.USA, 121, 2024
8FU4
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BU of 8fu4 by Molmil
HCMV US11 peptide binding to HLA-A*02:01
Descriptor: Beta-2-microglobulin, CADMIUM ION, GLYCEROL, ...
Authors:Watson, G.M, Berry, R, Littler, D.R, Rossjohn, J.
Deposit date:2023-01-16
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Diverse cytomegalovirus US11 antagonism and MHC-A evasion strategies reveal a tit-for-tat coevolutionary arms race in hominids.
Proc.Natl.Acad.Sci.USA, 121, 2024
8BGS
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BU of 8bgs by Molmil
Tau Paired Helical Filament from Extracellular Vesicles from Alzheimer's disease brain
Descriptor: Microtubule-associated protein tau
Authors:Behr, T.S, Ryskeldi-Falcon, B.
Deposit date:2022-10-28
Release date:2023-05-24
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Tau filaments are tethered within brain extracellular vesicles in Alzheimer's disease.
Biorxiv, 2023
8BGV
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BU of 8bgv by Molmil
Tau Paired Helical Filament from Cellular Fraction of Alzheimer's disease brain
Descriptor: Microtubule-associated protein tau
Authors:Behr, T.S, Ryskeldi-Falcon, B.
Deposit date:2022-10-28
Release date:2023-05-24
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Tau filaments are tethered within brain extracellular vesicles in Alzheimer's disease.
Biorxiv, 2023

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PDB entries from 2024-09-18

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