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1SOJ
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BU of 1soj by Molmil
CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B IN COMPLEX WITH IBMX
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, cGMP-inhibited 3',5'-cyclic phosphodiesterase B
Authors:Scapin, G, Patel, S.B, Chung, C, Varnerin, J.P, Edmondson, S.D, Mastracchio, A, Parmee, E.R, Becker, J.W, Singh, S.B, Van Der Ploeg, L.H, Tota, M.R.
Deposit date:2004-03-15
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Human Phosphodiesterase 3B: Atomic Basis for Substrate and Inhibitor Specificity
Biochemistry, 43, 2004
6KUR
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BU of 6kur by Molmil
Structure of influenza D virus polymerase bound to vRNA promoter in Mode B conformation (Class B1)
Descriptor: 3'-vRNA, 5'-vRNA, Polymerase 3, ...
Authors:Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y.
Deposit date:2019-09-02
Release date:2019-10-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insight into RNA synthesis by influenza D polymerase.
Nat Microbiol, 4, 2019
3MUJ
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BU of 3muj by Molmil
Early B-cell factor 3 (EBF3) IPT/TIG and dimerization helices
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Transcription factor COE3
Authors:Siponen, M.I, Lehtio, L, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schueler, H, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Berglund, H, Structural Genomics Consortium (SGC)
Deposit date:2010-05-03
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Determination of Functional Domains in Early B-cell Factor (EBF) Family of Transcription Factors Reveals Similarities to Rel DNA-binding Proteins and a Novel Dimerization Motif.
J.Biol.Chem., 285, 2010
1SHX
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BU of 1shx by Molmil
Ephrin A5 ligand structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin-A5
Authors:Himanen, J.P, Barton, W.A, Nikolov, D.B, Jeffrey, P.D.
Deposit date:2004-02-26
Release date:2005-04-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Three distinct molecular surfaces in ephrin-A5 are essential for a functional interaction with EphA3.
J.Biol.Chem., 280, 2005
2Z66
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BU of 2z66 by Molmil
Crystal structure of the VT3 hybrid of human TLR4 and hagfish VLRB.61
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Variable lymphocyte receptor B, ...
Authors:Lee, J.-O, Kim, H.M, Park, B.S.
Deposit date:2007-07-22
Release date:2007-09-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the TLR4-MD-2 Complex with Bound Endotoxin Antagonist Eritoran
Cell(Cambridge,Mass.), 130, 2007
4KU8
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BU of 4ku8 by Molmil
Structures of PKGI Reveal a cGMP-Selective Activation Mechanism
Descriptor: GLYCINE, cGMP-dependent Protein Kinase 1
Authors:Huang, G.Y, Kim, J.J, Reger, A.S, Lorenz, R, Moon, E.W, Casteel, D.E, Sankaran, B, Herberg, F.W, Kim, C.
Deposit date:2013-05-21
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:Structural Basis for Cyclic-Nucleotide Selectivity and cGMP-Selective Activation of PKG I.
Structure, 22, 2014
1F0W
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BU of 1f0w by Molmil
CRYSTAL STRUCTURE OF ORTHORHOMBIC LYSOZYME GROWN AT PH 6.5
Descriptor: LYSOZYME
Authors:Biswal, B.K, Sukumar, N, Vijayan, M.
Deposit date:2000-05-17
Release date:2000-06-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hydration, mobility and accessibility of lysozyme: structures of a pH 6.5 orthorhombic form and its low-humidity variant and a comparative study involving 20 crystallographically independent molecules.
Acta Crystallogr.,Sect.D, 56, 2000
8C0O
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BU of 8c0o by Molmil
African cichlid nackednavirus capsid at pH 5.5
Descriptor: C protein
Authors:Pfister, S, Rabl, J, Boehringer, D, Meier, B.H.
Deposit date:2022-12-19
Release date:2023-04-05
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural conservation of HBV-like capsid proteins over hundreds of millions of years despite the shift from non-enveloped to enveloped life-style.
Nat Commun, 14, 2023
8HRX
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BU of 8hrx by Molmil
Cryo-EM structure of human NTCP-myr-preS1-YN9048Fab complex
Descriptor: Fab heavy chain from antibody IgG clone number YN9048, Fab light chain from antibody IgG clone number YN9048, PreS1 protein (Fragment), ...
Authors:Asami, J, Shimizu, T, Ohto, U.
Deposit date:2022-12-16
Release date:2024-01-17
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structural basis of hepatitis B virus receptor binding.
Nat.Struct.Mol.Biol., 31, 2024
1F10
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BU of 1f10 by Molmil
CRYSTAL STRUCTURE OF ORTHORHOMBIC LYSOZYME GROWN AT PH 6.5 AT 88% RELATIVE HUMIDITY
Descriptor: LYSOZYME
Authors:Biswal, B.K, Sukumar, N, Vijayan, M.
Deposit date:2000-05-18
Release date:2000-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Hydration, mobility and accessibility of lysozyme: structures of a pH 6.5 orthorhombic form and its low-humidity variant and a comparative study involving 20 crystallographically independent molecules.
Acta Crystallogr.,Sect.D, 56, 2000
5BTG
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BU of 5btg by Molmil
Crystal structure of a topoisomerase II complex
Descriptor: (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ...
Authors:Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M.
Deposit date:2015-06-03
Release date:2016-03-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 113, 2016
6I96
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BU of 6i96 by Molmil
Structure of the ferrioxamine B transporter FoxA from Pseudomonas aeruginosa in complex with ferrioxamine B
Descriptor: Ferric hydroxamate uptake, Ferrioxamine B, GLYCEROL, ...
Authors:Josts, I, Tidow, H.
Deposit date:2018-11-22
Release date:2019-08-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ternary structure of the outer membrane transporter FoxA with resolved signalling domain provides insights into TonB-mediated siderophore uptake.
Elife, 8, 2019
7KDP
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BU of 7kdp by Molmil
HCMV prefusion gB in complex with fusion inhibitor WAY-174865
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Envelope glycoprotein B, ...
Authors:Liu, Y, Heim, P.K, Che, Y, Chi, X, Qiu, X, Han, S, Dormitzer, P.R, Yang, X.
Deposit date:2020-10-09
Release date:2021-03-17
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Prefusion structure of human cytomegalovirus glycoprotein B and structural basis for membrane fusion.
Sci Adv, 7, 2021
7K7G
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BU of 7k7g by Molmil
nucleosome and Gal4 complex
Descriptor: Centromere DNA-binding protein complex CBF3 subunit B, DNA (147-MER), Histone H2A.1, ...
Authors:Ruifang, G, Yawen, B.
Deposit date:2020-09-22
Release date:2021-03-31
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural and dynamic mechanisms of CBF3-guided centromeric nucleosome formation.
Nat Commun, 12, 2021
1FGA
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BU of 1fga by Molmil
REFINEMENT OF THE STRUCTURE OF HUMAN BASIC FIBROBLAST GROWTH FACTOR AT 1.6 ANGSTROMS RESOLUTION AND ANALYSIS OF PRESUMED HEPARIN BINDING SITES BY SELENATE SUBSTITUTION
Descriptor: BASIC FIBROBLAST GROWTH FACTOR, BETA-MERCAPTOETHANOL, SELENATE ION
Authors:Eriksson, A.E, Matthews, B.W.
Deposit date:1993-02-26
Release date:1993-07-15
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Refinement of the structure of human basic fibroblast growth factor at 1.6 A resolution and analysis of presumed heparin binding sites by selenate substitution.
Protein Sci., 2, 1993
4M3L
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BU of 4m3l by Molmil
Crystal Structure of the coiled coil domain of MuRF1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, E3 ubiquitin-protein ligase TRIM63, ...
Authors:Mayans, O, Franke, B.
Deposit date:2013-08-06
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis for the fold organization and sarcomeric targeting of the muscle atrogin MuRF1.
Open Biol, 4, 2014
5IPI
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BU of 5ipi by Molmil
Structure of Adeno-associated virus type 2 VLP
Descriptor: Capsid protein VP1
Authors:Drouin, L.M, Lins, B, Janssen, M.E, Bennet, A, Chipman, P, McKenna, R, Chen, W, Muzyczka, N, Cardone, G, Baker, T.S, Agbandje-McKenna, M.
Deposit date:2016-03-09
Release date:2016-07-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-electron Microscopy Reconstruction and Stability Studies of the Wild Type and the R432A Variant of Adeno-associated Virus Type 2 Reveal that Capsid Structural Stability Is a Major Factor in Genome Packaging.
J.Virol., 90, 2016
6KUT
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BU of 6kut by Molmil
Structure of influenza D virus polymerase bound to vRNA promoter in Mode B conformation (Class B2)
Descriptor: 3'-vRNA, 5'-vRNA, Polymerase 3, ...
Authors:Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y.
Deposit date:2019-09-02
Release date:2019-10-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural insight into RNA synthesis by influenza D polymerase.
Nat Microbiol, 4, 2019
330D
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BU of 330d by Molmil
BASE-PAIRING SHIFT IN THE MAJOR GROOVE OF (CA)N TRACTS BY B-DNA CRYSTAL STRUCTURES
Descriptor: DNA (5'-D(*AP*CP*CP*GP*CP*CP*GP*GP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*GP*CP*CP*GP*GP*CP*GP*GP*T)-3')
Authors:Timsit, Y, Vilbois, E, Moras, D.
Deposit date:1997-04-29
Release date:1997-04-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Base-pairing shift in the major groove of (CA)n tracts by B-DNA crystal structures.
Nature, 354, 1991
7YWZ
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BU of 7ywz by Molmil
Modified oligopeptidase B from S. proteomaculans in intermediate conformation with 4 spermine molecules at 1.75 A resolution
Descriptor: GLYCEROL, Oligopeptidase B, SPERMINE
Authors:Petrenko, D.E, Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Mikhailova, A.G, Timofeev, V.I, Rakitina, T.V.
Deposit date:2022-02-15
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Modified oligopeptidase B from S. proteomaculans in intermediate conformation with 4 spermine molecules at 1.75 A resolution
To Be Published
5TQX
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BU of 5tqx by Molmil
CryoEM reconstruction of human IKK1, intermediate conformation 2
Descriptor: Inhibitor of nuclear factor kappa-B kinase subunit alpha
Authors:Lyumkis, D, Ghosh, G, Polley, S, Biswath, T, Huang, D, Passos, D.O.
Deposit date:2016-10-24
Release date:2016-11-09
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Structural Basis for the Activation of IKK1/ alpha.
Cell Rep, 17, 2016
4D71
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BU of 4d71 by Molmil
Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A X02 mutant)
Descriptor: 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, SULFATE ION, ...
Authors:Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G.
Deposit date:2014-11-19
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
6A6H
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BU of 6a6h by Molmil
Crystal Structure of Swine Major Histocompatibility Complex Class I SLA-2*040202 For 2.3 Angstrom
Descriptor: Beta-2-microglobulin, MET-THR-ALA-HIS-ILE-VAL-VAL-PRO-TYR, MHC class I antigen
Authors:Ning, S, Wang, Z.B.
Deposit date:2018-06-28
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystallization of SLA-2*04:02:02 complexed with a CTL epitope derived from FMDV.
Res. Vet. Sci., 128, 2019
7KE0
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BU of 7ke0 by Molmil
HIV-1 Integrase catalytic core domain complexed with allosteric inhibitor STP03-0404
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Lindenberger, J.J, Kvaratskhelia, M.
Deposit date:2020-10-09
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:A highly potent and safe pyrrolopyridine-based allosteric HIV-1 integrase inhibitor targeting host LEDGF/p75-integrase interaction site.
Plos Pathog., 17, 2021
5IS5
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BU of 5is5 by Molmil
Discovery and Pharmacological Characterization of Novel Quinazoline-based PI3K delta-selective Inhibitors
Descriptor: 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Gutmann, S, Rummel, G, Shrestha, B.
Deposit date:2016-03-15
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.
Acs Med.Chem.Lett., 7, 2016

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