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7OAO
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BU of 7oao by Molmil
Nanobody C5 bound to RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C5 nanobody, ...
Authors:Naismith, J.H, Mikolajek, H.
Deposit date:2021-04-19
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
5J3D
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BU of 5j3d by Molmil
Crystal structure of human Fab 14N4 in complex with post-fusion RSV F
Descriptor: 14N4 heavy chain, 14N4 light chain, Fusion glycoprotein F0
Authors:Mousa, J.J, Crowe, J.E.
Deposit date:2016-03-30
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.077 Å)
Cite:Structural basis for nonneutralizing antibody competition at antigenic site II of the respiratory syncytial virus fusion protein.
Proc.Natl.Acad.Sci.USA, 113, 2016
7OAP
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BU of 7oap by Molmil
Nanobody H3 AND C1 bound to RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C1 nanobody, CHLORIDE ION, ...
Authors:Naismith, J.H, Mikolajek, H.
Deposit date:2021-04-19
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
5J41
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BU of 5j41 by Molmil
Glutathione S-transferase bound with hydrolyzed Piperlongumine
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(3,4,5-trimethoxyphenyl)propanoic acid, GLUTATHIONE, ...
Authors:Harshbarger, W, Gondi, S, Ficarro, S, Hunter, J, Udayakumar, D, Gurbani, D, Marto, J, Westover, K.
Deposit date:2016-03-31
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.19035351 Å)
Cite:Structural and Biochemical Analyses Reveal the Mechanism of Glutathione S-Transferase Pi 1 Inhibition by the Anti-cancer Compound Piperlongumine.
J. Biol. Chem., 292, 2017
2CE2
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BU of 2ce2 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH GDP
Descriptor: GTPASE HRAS, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Klink, B.U, Goody, R.S, Scheidig, A.J.
Deposit date:2006-02-02
Release date:2006-08-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1 Å)
Cite:A Newly Designed Microspectrofluorometer for Kinetic Studies on Protein Crystals in Combination with X-Ray Diffraction
Biophys.J., 91, 2006
1CHJ
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BU of 1chj by Molmil
STRUCTURAL STUDIES OF THE ROLES OF RESIDUES 82 AND 85 AT THE INTERACTIVE FACE OF CYTOCHROME C
Descriptor: CYTOCHROME C, HEME C, SULFATE ION
Authors:Lo, T.P, Brayer, G.D.
Deposit date:1994-06-01
Release date:1994-12-20
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of the roles of residues 82 and 85 at the interactive face of cytochrome c.
Biochemistry, 34, 1995
7OAN
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BU of 7oan by Molmil
Nanobody C5 bound to Spike
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Naismith, J.H, Weckener, M.
Deposit date:2021-04-19
Release date:2021-08-11
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OFV
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BU of 7ofv by Molmil
NMR-guided design of potent and selective EphA4 agonistic ligands
Descriptor: ACETATE ION, EphA4 agonist ligand, Ephrin type-A receptor 4
Authors:Ganichkin, O.M, Craig, T.K, Baggio, C, Pellecchia, M.
Deposit date:2021-05-05
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:NMR-Guided Design of Potent and Selective EphA4 Agonistic Ligands.
J.Med.Chem., 64, 2021
7ACU
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BU of 7acu by Molmil
Crystal structure of human transthyretin in complex with Benzbromarone
Descriptor: Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone
Authors:Leite, J.P, Gales, L.
Deposit date:2020-09-11
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.541 Å)
Cite:Repurposing Benzbromarone for Familial Amyloid Polyneuropathy: A New Transthyretin Tetramer Stabilizer.
Int J Mol Sci, 21, 2020
7OAY
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BU of 7oay by Molmil
Nanobody F2 bound to RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, F2 nanobody, Spike protein S1
Authors:Naismith, J.H, Mikolajek, H.
Deposit date:2021-04-20
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAU
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BU of 7oau by Molmil
Nanobody C5 bound to Kent variant RBD (N501Y)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C5, GLYCEROL, ...
Authors:Naismith, J.H, Mikolajek, H.
Deposit date:2021-04-20
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7ADY
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BU of 7ady by Molmil
CO-removed state of the active site of vanadium nitrogenase VFe protein
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ...
Authors:Rohde, M, Grunau, K, Einsle, O.
Deposit date:2020-09-16
Release date:2020-09-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:CO Binding to the FeV Cofactor of CO-Reducing Vanadium Nitrogenase at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020
5IZ5
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BU of 5iz5 by Molmil
Human GIVD cytosolic phospholipase A2
Descriptor: Cytosolic phospholipase A2 delta, SULFATE ION
Authors:Wang, H, Klein, M.G.
Deposit date:2016-03-24
Release date:2016-06-08
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Human GIVD Cytosolic Phospholipase A2 Reveals Insights into Substrate Recognition.
J.Mol.Biol., 428, 2016
4GNU
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BU of 4gnu by Molmil
Crystal structure of GES-5 carbapenemase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase GES-5
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2012-08-17
Release date:2013-07-24
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
7OZJ
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BU of 7ozj by Molmil
CryoEM structure of human enterovirus 70 empty particle
Descriptor: VP1, VP2, VP3
Authors:Fuzik, T, Plevka, P, Moravcova, J.
Deposit date:2021-06-28
Release date:2022-07-13
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.29 Å)
Cite:Structure of Human Enterovirus 70 and Its Inhibition by Capsid-Binding Compounds.
J.Virol., 96, 2022
5JA7
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BU of 5ja7 by Molmil
Human cathepsin K mutant C25S in complex with the allosteric effector NSC94914
Descriptor: ACETATE ION, Cathepsin K, GLYCEROL, ...
Authors:Novinec, M, Korenc, M, Lenarcic, B.
Deposit date:2016-04-12
Release date:2016-11-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:An allosteric site enables fine-tuning of cathepsin K by diverse effectors.
FEBS Lett., 590, 2016
2E4A
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BU of 2e4a by Molmil
Crystal Structure of Human D-Amino Acid Oxidase in complex with o-aminobenzoate
Descriptor: 2-AMINOBENZOIC ACID, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kawazoe, T, Tsuge, H, Imagawa, T, Fukui, K.
Deposit date:2006-12-05
Release date:2007-03-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of d-DOPA oxidation by d-amino acid oxidase: Alternative pathway for dopamine biosynthesis.
Biochem.Biophys.Res.Commun., 355, 2007
1CE7
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BU of 1ce7 by Molmil
MISTLETOE LECTIN I FROM VISCUM ALBUM
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (RIBOSOME-INACTIVATING PROTEIN TYPE II)
Authors:Krauspenhaar, R, Eschenburg, S, Perbandt, M, Kornilov, V, Konareva, N, Mikailova, I, Stoeva, S, Wacker, R, Maier, T, Singh, T.P, Mikhailov, A, Voelter, W, Betzel, C.
Deposit date:1999-03-18
Release date:2000-03-20
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of mistletoe lectin I from Viscum album.
Biochem.Biophys.Res.Commun., 257, 1999
5JEF
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BU of 5jef by Molmil
Fragment of nitrate/nitrite sensor histidine kinase NarQ (WT) in asymmetric holo state
Descriptor: EICOSANE, NITRATE ION, Nitrate/nitrite sensor protein NarQ
Authors:Gushchin, I, Melnikov, I, Polovinkin, V, Ishchenko, A, Popov, A, Gordeliy, V.
Deposit date:2016-04-18
Release date:2017-05-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Mechanism of transmembrane signaling by sensor histidine kinases.
Science, 356, 2017
7OWZ
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BU of 7owz by Molmil
Heterodimeric murine tRNA-guanine transglycosylase in complex with queuine and in the presence of Anderson-Evans type (TEW) and Strandberg type polyoxometalate (POM)
Descriptor: 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 6-tungstotellurate(VI), Queuine tRNA-ribosyltransferase accessory subunit 2, ...
Authors:Sebastiani, M, Heine, A, Reuter, K.
Deposit date:2021-06-21
Release date:2022-07-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Biochemical Investigation of the Heterodimeric Murine tRNA-Guanine Transglycosylase.
Acs Chem.Biol., 17, 2022
7OZI
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BU of 7ozi by Molmil
CryoEM structure of human enterovirus 70 A-particle
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Fuzik, T, Plevka, P, Moravcova, J.
Deposit date:2021-06-28
Release date:2022-07-13
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Structure of Human Enterovirus 70 and Its Inhibition by Capsid-Binding Compounds.
J.Virol., 96, 2022
7P0J
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BU of 7p0j by Molmil
Crystal structure of S.pombe Mdb1 BRCT domains
Descriptor: CITRIC ACID, DNA damage response protein Mdb1, MAGNESIUM ION, ...
Authors:Day, M, Oliver, A.W, Pearl, L.H.
Deposit date:2021-06-29
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Phosphorylation-dependent assembly of DNA damage response systems and the central roles of TOPBP1.
DNA Repair (Amst), 108, 2021
5JHA
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BU of 5jha by Molmil
Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin2
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
Authors:Burke, J.E, Inglis, A.J, Williams, R.L.
Deposit date:2016-04-20
Release date:2017-03-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
7A6I
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BU of 7a6i by Molmil
Crystal Structure of EGFR-T790M/V948R in Complex with LDC8201
Descriptor: Epidermal growth factor receptor, SULFATE ION, ~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide
Authors:Niggenaber, J, Mueller, M.P, Rauh, D.
Deposit date:2020-08-25
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors.
J.Med.Chem., 65, 2022
2E49
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BU of 2e49 by Molmil
Crystal Structure of Human D-Amino Acid Oxidase in Complex with Imino-Serine
Descriptor: 3-hydroxy-2-iminopropanoic acid, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kawazoe, T, Tsuge, H, Imagawa, T, Fukui, K.
Deposit date:2006-12-05
Release date:2007-03-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of d-DOPA oxidation by d-amino acid oxidase: Alternative pathway for dopamine biosynthesis.
Biochem.Biophys.Res.Commun., 355, 2007

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