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5SYJ
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BU of 5syj by Molmil
Crystal structure of the D141A variant of B. pseudomallei KatGin complex with isoniazid
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-11
Release date:2016-09-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Binding of the antitubercular pro-drug isoniazid in the heme access channel of catalase-peroxidase (KatG). A combined structural and metadynamics investigation.
J Phys Chem B, 118, 2014
3IQD
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BU of 3iqd by Molmil
Structure of Octopine-dehydrogenase in complex with NADH and Agmatine
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, AGMATINE, Octopine dehydrogenase
Authors:Smits, S.H.J, Meyer, T, Mueller, A, Willbold, D, Grieshaber, M.K, Schmitt, L.
Deposit date:2009-08-20
Release date:2010-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insights into the mechanism of ligand binding to octopine dehydrogenase from Pecten maximus by NMR and crystallography
Plos One, 5, 2010
5V6P
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BU of 5v6p by Molmil
CryoEM structure of the ERAD-associated E3 ubiquitin-protein ligase HRD1
Descriptor: ERAD-associated E3 ubiquitin-protein ligase HRD1
Authors:Schoebel, S, Mi, W, Stein, A, Rapoport, T.A, Liao, M.
Deposit date:2017-03-17
Release date:2017-08-16
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM structure of the protein-conducting ERAD channel Hrd1 in complex with Hrd3.
Nature, 548, 2017
7JL4
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BU of 7jl4 by Molmil
Crystal structure of TRIM65 PSpry domain
Descriptor: GLYCEROL, Tripartite motif-containing protein 65
Authors:Kato, K, Ahmad, S, Hur, S.
Deposit date:2020-07-29
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural analysis of RIG-I-like receptors reveals ancient rules of engagement between diverse RNA helicases and TRIM ubiquitin ligases.
Mol.Cell, 81, 2021
2FER
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BU of 2fer by Molmil
P450CAM from Pseudomonas putida reconstituted with manganic protoporphyrin IX
Descriptor: Cytochrome P450-cam, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING MN
Authors:von Koenig, K, Makris, T.M, Sligar, S.G, Schlichting, I.
Deposit date:2005-12-16
Release date:2006-03-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The status of high-valent metal oxo complexes in the P450 cytochromes.
J.Inorg.Biochem., 100, 2006
7JL2
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BU of 7jl2 by Molmil
Cryo-EM structure of MDA5-dsRNA filament in complex with TRIM65 PSpry domain (Trimer)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Interferon-induced helicase C domain-containing protein 1, MAGNESIUM ION, ...
Authors:Kato, K, Ahmad, S, Hur, S.
Deposit date:2020-07-29
Release date:2020-12-09
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural analysis of RIG-I-like receptors reveals ancient rules of engagement between diverse RNA helicases and TRIM ubiquitin ligases.
Mol.Cell, 81, 2021
8U45
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BU of 8u45 by Molmil
Crystal Structure Analysis of Aspergillus fumigatus alkaline protease
Descriptor: Alkaline protease 1, CALCIUM ION, CHLORIDE ION, ...
Authors:Fernandez, D, Diec, D.D.L, Guo, W, Russi, S.
Deposit date:2023-09-08
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Targeting Aspergillus allergen oryzin with a chemical probe at atomic precision.
Sci Rep, 13, 2023
7JL0
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BU of 7jl0 by Molmil
Cryo-EM structure of MDA5-dsRNA in complex with TRIM65 PSpry domain (Monomer)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Interferon-induced helicase C domain-containing protein 1, MAGNESIUM ION, ...
Authors:Kato, K, Ahmad, S, Hur, S.
Deposit date:2020-07-29
Release date:2020-12-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural analysis of RIG-I-like receptors reveals ancient rules of engagement between diverse RNA helicases and TRIM ubiquitin ligases.
Mol.Cell, 81, 2021
6VK0
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BU of 6vk0 by Molmil
CryoEM structure of Hrd1-Usa1/Der1/Hrd3 of the flipped topology
Descriptor: Degradation in the endoplasmic reticulum protein 1, ERAD-associated E3 ubiquitin-protein ligase HRD1, ERAD-associated E3 ubiquitin-protein ligase component HRD3, ...
Authors:Wu, X, Rapoport, T.A.
Deposit date:2020-01-18
Release date:2020-04-29
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis of ER-associated protein degradation mediated by the Hrd1 ubiquitin ligase complex.
Science, 368, 2020
3BY8
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BU of 3by8 by Molmil
Crystal Structure of the E.coli DcuS Sensor Domain
Descriptor: (2S)-2-hydroxybutanedioic acid, Sensor protein dcuS
Authors:Cheung, J, Hendrickson, W.A.
Deposit date:2008-01-15
Release date:2008-08-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal Structures of C4-Dicarboxylate Ligand Complexes with Sensor Domains of Histidine Kinases DcuS and DctB.
J.Biol.Chem., 283, 2008
2BKM
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BU of 2bkm by Molmil
Crystal structure of the truncated hemoglobin from Geobacillus stearothermophilus
Descriptor: ACETATE ION, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ilari, A, Kjelgaard, P, von Wachenfeldt, C, Boffi, A, Chiancone, E.
Deposit date:2006-02-08
Release date:2006-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure and Ligand Binding Properties of the Truncated Hemoglobin from Geobacillus Stearothermophilus
Arch.Biochem.Biophys., 457, 2007
5G1B
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BU of 5g1b by Molmil
Bordetella Alcaligenes HDAH native
Descriptor: DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, PENTAETHYLENE GLYCOL, ...
Authors:Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
Deposit date:2016-03-24
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The thermodynamic signature of ligand binding to histone deacetylase-like amidohydrolases is most sensitive to the flexibility in the L2-loop lining the active site pocket.
Biochim. Biophys. Acta, 1861, 2017
8QN2
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BU of 8qn2 by Molmil
Helical foldamers as selective G-quadruplex ligands
Descriptor: ACE-QUK-QUK-ZY9-QUK, DNA (5'-D(*TP*GP*GP*GP*TP*TP*GP*GP*GP*TP*TP*GP*GP*GP*TP*TP*GP*GP*GP*T)-3'), MAGNESIUM ION, ...
Authors:Koenig, A, Thore, S, Gabelica, V.
Deposit date:2023-09-25
Release date:2025-04-09
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Helical foldamers as selective G-quadruplex ligands
To Be Published
5TJG
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BU of 5tjg by Molmil
Thermus aquaticus delta1.1-sigmaA holoenzyme/downstream-fork promoter complex with an open clamp
Descriptor: DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*A)-3'), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Darst, S.A, Bae, B.
Deposit date:2016-10-04
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:RNA polymerase motions during promoter melting.
Science, 356, 2017
2YZ3
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BU of 2yz3 by Molmil
Crystallographic Investigation of Inhibition Mode of the VIM-2 Metallo-beta-lactamase from Pseudomonas aeruginosa with Mercaptocarboxylate Inhibitor
Descriptor: (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID, Metallo-beta-lactamase, SULFATE ION, ...
Authors:Yamaguchi, Y, Yamagata, Y, Arakawa, Y, Kurosaki, H.
Deposit date:2007-05-02
Release date:2008-03-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic investigation of the inhibition mode of a VIM-2 metallo-beta-lactamase from Pseudomonas aeruginosa by a mercaptocarboxylate inhibitor.
J.Med.Chem., 50, 2007
5E6W
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BU of 5e6w by Molmil
Re-refinement of the Crystal Structure of the Plexin-Semaphorin-Integrin Domain/Hybrid Domain/I-EGF1 Segment from the Human Integrin b2 Subunit
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin beta-2
Authors:Springer, T.A, Sen, M.
Deposit date:2015-10-10
Release date:2016-03-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Leukocyte integrin alpha L beta 2 headpiece structures: The alpha I domain, the pocket for the internal ligand, and concerted movements of its loops.
Proc.Natl.Acad.Sci.USA, 113, 2016
5SYI
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BU of 5syi by Molmil
Structure of D141A variant of B. pseudomallei KatG complexed with INH
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-11
Release date:2016-09-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Binding of the antitubercular pro-drug isoniazid in the heme access channel of catalase-peroxidase (KatG). A combined structural and metadynamics investigation.
J Phys Chem B, 118, 2014
5G17
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BU of 5g17 by Molmil
Bordetella Alcaligenes HDAH (T101A) bound to 9,9,9-trifluoro-8,8- dihydroxy-N-phenylnonanamide.
Descriptor: 9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{N}-phenyl-nonanamide, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, POTASSIUM ION, ...
Authors:Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
Deposit date:2016-03-23
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:The thermodynamic signature of ligand binding to histone deacetylase-like amidohydrolases is most sensitive to the flexibility in the L2-loop lining the active site pocket.
Biochim. Biophys. Acta, 1861, 2017
7WN2
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BU of 7wn2 by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain (RBD) in complex with NCV2SG53 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy chain, Fab Light chain, ...
Authors:Yamamoto, A, Higashiura, A.
Deposit date:2022-01-17
Release date:2023-04-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023
1XJ7
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BU of 1xj7 by Molmil
Complex Androgen Receptor LBD and RAC3 peptide
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, RAC3 derived peptide
Authors:Estebanez-Perpina, E, Moore, J.M.R, Mar, E, Nguyen, P, Delgado-Rodrigues, E, Baxter, J.D, Buehrer, B.M, Webb, P, Fletterick, R.J, Guy, R.K.
Deposit date:2004-09-22
Release date:2005-01-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor
J.Biol.Chem., 280, 2005
2BGV
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BU of 2bgv by Molmil
X-ray structure of ferric cytochrome c-550 from Paracoccus versutus
Descriptor: CYTOCHROME C-550, HEME C
Authors:Worrall, J.A.R, Van Roon, A.-M.M, Ubbink, M, Canters, G.W.
Deposit date:2005-01-05
Release date:2005-05-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Effect of Replacing the Axial Methionine Ligand with a Lysine Residue in Cytochrome C-550 from Paracoccus Versutus Assessed by X-Ray Crystallography and Unfolding.
FEBS J., 272, 2005
4J2T
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BU of 4j2t by Molmil
Inhibitor-bound Ca2+ ATPase
Descriptor: (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate, PHOSPHATIDYLETHANOLAMINE, POTASSIUM ION, ...
Authors:Paulsen, E.S, Villadsen, J, Tenori, E, Liu, H, Lie, M.A, Bonde, D.F, Bublitz, M, Olesen, C, Autzen, H.E, Dach, I, Sehgal, P, Moller, J.V, Schiott, B, Nissen, P, Christensen, S.B.
Deposit date:2013-02-05
Release date:2013-06-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Water-mediated interactions influence the binding of thapsigargin to sarco/endoplasmic reticulum calcium adenosinetriphosphatase.
J.Med.Chem., 56, 2013
3BRI
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BU of 3bri by Molmil
Crystal Structure of apo-LC8
Descriptor: ACETATE ION, Dynein light chain 1, cytoplasmic, ...
Authors:Benison, G, Karplus, P.A, Barbar, E, Chiodo, M.
Deposit date:2007-12-21
Release date:2008-12-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Interplay of Ligand Binding and Quaternary Structure in the Diverse Interactions of Dynein Light Chain LC8.
J.Mol.Biol., 384, 2008
3BY9
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BU of 3by9 by Molmil
Crystal structure of the V. cholerae Histidine Kinase DctB Sensor Domain
Descriptor: CALCIUM ION, SUCCINIC ACID, Sensor protein
Authors:Cheung, J, Hendrickson, W.A.
Deposit date:2008-01-15
Release date:2008-08-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of C4-Dicarboxylate Ligand Complexes with Sensor Domains of Histidine Kinases DcuS and DctB.
J.Biol.Chem., 283, 2008
7WNB
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BU of 7wnb by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain (RBD) in complex with NCV2SG48 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy chain, Fab Light chain, ...
Authors:Yamamoto, A, Higashiura, A.
Deposit date:2022-01-18
Release date:2023-04-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023

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